USER MOD reduce.3.24.130724 H: found=0, std=0, add=1594, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 74 GLN :FLIP amide:sc= -1.82 F(o=-10!,f=-3.6) USER MOD Set 1.2: B 78 ASN :FLIP amide:sc= -1.78 F(o=-9.2!,f=-3.6) USER MOD Set 2.1: B 20 TYR OH : rot -130:sc= -0.611 USER MOD Set 2.2: B 37 SER OG : rot 180:sc= 0 USER MOD Set 3.1: B 26 HIS : no HD1:sc= -0.8 K(o=-3,f=-4.2) USER MOD Set 3.2: B 29 THR OG1 : rot 130:sc= -0.44 USER MOD Set 3.3: B 70 GLN :FLIP amide:sc= -1.79! C(o=-4.5!,f=-3!) USER MOD Set 4.1: A 74 GLN :FLIP amide:sc= -2.07 F(o=-10!,f=-4.1) USER MOD Set 4.2: A 78 ASN :FLIP amide:sc= -2 F(o=-9.6!,f=-4.1) USER MOD Set 5.1: A 20 TYR OH : rot -130:sc= -0.635 USER MOD Set 5.2: A 37 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 26 HIS : no HD1:sc= -0.79 K(o=-3,f=-4.2) USER MOD Set 6.2: A 29 THR OG1 : rot 130:sc= -0.463 USER MOD Set 6.3: A 70 GLN :FLIP amide:sc= -1.77! C(o=-4.8!,f=-3!) USER MOD Single : A 1 SER N :NH3+ 135:sc= 0.0263 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -122:sc= -1.03 USER MOD Single : A 6 THR OG1 : rot -168:sc= 1.16 USER MOD Single : A 9 CYS SG : rot -70:sc= -7.31! USER MOD Single : A 12 SER OG : rot 140:sc= -2.25 USER MOD Single : A 18 GLN : amide:sc= 0.0962 K(o=0.096,f=-0.71) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -1.6! USER MOD Single : A 32 LYS NZ :NH3+ 148:sc= -1.02 (180deg=-2.79!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 159:sc= -8.73! (180deg=-9.44!) USER MOD Single : A 40 ASN : amide:sc= -0.0635 X(o=-0.064,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0819 USER MOD Single : A 47 THR OG1 : rot -44:sc= 0.115 USER MOD Single : A 48 LYS NZ :NH3+ -121:sc= -0.0314 (180deg=-0.181) USER MOD Single : A 49 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.3) USER MOD Single : A 50 GLN : amide:sc= -0.444 X(o=-0.44,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 159:sc= -8.56! (180deg=-9.13!) USER MOD Single : A 60 MET CE :methyl 162:sc= -2.81! (180deg=-4.08!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.0053) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -135:sc= -1.02 USER MOD Single : A 88 HIS : no HD1:sc= -2.43 K(o=-2.4,f=-3.2!) USER MOD Single : A 90 SER OG : rot 160:sc= -1.32 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 99 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.187) USER MOD Single : B 1 SER N :NH3+ -111:sc= 0.0353 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot -120:sc= -1.02 USER MOD Single : B 6 THR OG1 : rot -168:sc= 1.03 USER MOD Single : B 9 CYS SG : rot -67:sc= -7.53! USER MOD Single : B 12 SER OG : rot 140:sc= -2.05 USER MOD Single : B 18 GLN : amide:sc= 0.0632 K(o=0.063,f=-0.69) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 SER OG : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot -65:sc= -0.531! USER MOD Single : B 32 LYS NZ :NH3+ 152:sc= -1.01 (180deg=-2.8!) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 39 MET CE :methyl 156:sc= -8.88! (180deg=-9.76!) USER MOD Single : B 40 ASN : amide:sc= -0.0711 X(o=-0.071,f=0) USER MOD Single : B 41 THR OG1 : rot 180:sc= -0.0773 USER MOD Single : B 47 THR OG1 : rot -47:sc= 0.112 USER MOD Single : B 48 LYS NZ :NH3+ -119:sc= -0.0352 (180deg=-0.185) USER MOD Single : B 49 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.4) USER MOD Single : B 50 GLN : amide:sc= -0.427 X(o=-0.43,f=0) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 MET CE :methyl 164:sc= -8.55! (180deg=-9.46!) USER MOD Single : B 60 MET CE :methyl 161:sc= -2.81! (180deg=-4.1!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.0025) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 87 CYS SG : rot -137:sc= -0.943 USER MOD Single : B 88 HIS : no HD1:sc= -2.45 K(o=-2.5,f=-3.2!) USER MOD Single : B 90 SER OG : rot 150:sc= -1.32 USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : B 99 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.174) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.663 -8.792 19.375 1.00 0.00 N ATOM 2 CA SER A 1 1.983 -8.132 19.545 1.00 0.00 C ATOM 3 C SER A 1 2.303 -7.225 18.361 1.00 0.00 C ATOM 4 O SER A 1 1.866 -7.477 17.238 1.00 0.00 O ATOM 5 CB SER A 1 3.054 -9.214 19.687 1.00 0.00 C ATOM 6 OG SER A 1 3.073 -9.745 21.001 1.00 0.00 O ATOM 0 H1 SER A 1 0.745 -9.800 19.620 1.00 0.00 H new ATOM 0 H2 SER A 1 -0.034 -8.339 20.000 1.00 0.00 H new ATOM 0 H3 SER A 1 0.354 -8.700 18.386 1.00 0.00 H new ATOM 0 HA SER A 1 1.959 -7.508 20.438 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.864 -10.014 18.971 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.032 -8.796 19.446 1.00 0.00 H new ATOM 0 HG SER A 1 3.765 -10.436 21.065 1.00 0.00 H new ATOM 14 N ARG A 2 3.069 -6.171 18.620 1.00 0.00 N ATOM 15 CA ARG A 2 3.448 -5.227 17.574 1.00 0.00 C ATOM 16 C ARG A 2 4.931 -4.871 17.673 1.00 0.00 C ATOM 17 O ARG A 2 5.305 -3.932 18.374 1.00 0.00 O ATOM 18 CB ARG A 2 2.601 -3.957 17.674 1.00 0.00 C ATOM 19 CG ARG A 2 2.627 -3.314 19.052 1.00 0.00 C ATOM 20 CD ARG A 2 2.803 -1.806 18.960 1.00 0.00 C ATOM 21 NE ARG A 2 2.263 -1.120 20.132 1.00 0.00 N ATOM 22 CZ ARG A 2 1.957 0.175 20.156 1.00 0.00 C ATOM 23 NH1 ARG A 2 2.134 0.927 19.077 1.00 0.00 N ATOM 24 NH2 ARG A 2 1.472 0.720 21.264 1.00 0.00 N ATOM 0 H ARG A 2 3.440 -5.949 19.544 1.00 0.00 H new ATOM 0 HA ARG A 2 3.269 -5.701 16.609 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.956 -3.235 16.939 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.570 -4.197 17.414 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.700 -3.542 19.579 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.440 -3.741 19.639 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.862 -1.570 18.858 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.306 -1.437 18.063 1.00 0.00 H new ATOM 0 HE ARG A 2 2.112 -1.665 20.981 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.507 0.513 18.222 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.897 1.919 19.102 1.00 0.00 H new ATOM 0 HH21 ARG A 2 1.334 0.147 22.096 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.237 1.712 21.284 1.00 0.00 H new ATOM 37 N PRO A 3 5.800 -5.621 16.971 1.00 0.00 N ATOM 38 CA PRO A 3 7.248 -5.384 16.982 1.00 0.00 C ATOM 39 C PRO A 3 7.617 -3.963 16.580 1.00 0.00 C ATOM 40 O PRO A 3 7.837 -3.100 17.431 1.00 0.00 O ATOM 41 CB PRO A 3 7.781 -6.413 15.971 1.00 0.00 C ATOM 42 CG PRO A 3 6.600 -6.777 15.147 1.00 0.00 C ATOM 43 CD PRO A 3 5.457 -6.762 16.108 1.00 0.00 C ATOM 0 HA PRO A 3 7.675 -5.494 17.979 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.577 -5.990 15.358 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.196 -7.285 16.475 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.447 -6.065 14.336 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.722 -7.759 14.690 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.501 -6.620 15.604 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.385 -7.693 16.671 1.00 0.00 H new ATOM 51 N THR A 4 7.685 -3.728 15.284 1.00 0.00 N ATOM 52 CA THR A 4 8.032 -2.412 14.757 1.00 0.00 C ATOM 53 C THR A 4 6.834 -1.744 14.100 1.00 0.00 C ATOM 54 O THR A 4 5.974 -2.400 13.514 1.00 0.00 O ATOM 55 CB THR A 4 9.205 -2.503 13.770 1.00 0.00 C ATOM 56 OG1 THR A 4 9.227 -1.377 12.911 1.00 0.00 O ATOM 57 CG2 THR A 4 9.182 -3.740 12.896 1.00 0.00 C ATOM 0 H THR A 4 7.504 -4.432 14.569 1.00 0.00 H new ATOM 0 HA THR A 4 8.341 -1.795 15.601 1.00 0.00 H new ATOM 0 HB THR A 4 10.094 -2.547 14.399 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.173 -1.675 11.979 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.043 -3.729 12.228 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.221 -4.630 13.524 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.265 -3.752 12.307 1.00 0.00 H new ATOM 65 N GLU A 5 6.795 -0.424 14.217 1.00 0.00 N ATOM 66 CA GLU A 5 5.720 0.379 13.655 1.00 0.00 C ATOM 67 C GLU A 5 5.388 -0.058 12.227 1.00 0.00 C ATOM 68 O GLU A 5 4.225 -0.268 11.886 1.00 0.00 O ATOM 69 CB GLU A 5 6.125 1.855 13.711 1.00 0.00 C ATOM 70 CG GLU A 5 6.508 2.464 12.368 1.00 0.00 C ATOM 71 CD GLU A 5 6.848 3.938 12.471 1.00 0.00 C ATOM 72 OE1 GLU A 5 7.255 4.377 13.568 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.706 4.653 11.458 1.00 0.00 O ATOM 0 H GLU A 5 7.508 0.119 14.704 1.00 0.00 H new ATOM 0 HA GLU A 5 4.814 0.234 14.243 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.299 2.428 14.132 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.967 1.960 14.395 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.363 1.925 11.960 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.684 2.333 11.666 1.00 0.00 H new ATOM 80 N THR A 6 6.421 -0.206 11.404 1.00 0.00 N ATOM 81 CA THR A 6 6.239 -0.632 10.027 1.00 0.00 C ATOM 82 C THR A 6 5.698 -2.054 9.979 1.00 0.00 C ATOM 83 O THR A 6 4.835 -2.368 9.163 1.00 0.00 O ATOM 84 CB THR A 6 7.561 -0.551 9.269 1.00 0.00 C ATOM 85 OG1 THR A 6 8.177 0.708 9.464 1.00 0.00 O ATOM 86 CG2 THR A 6 7.402 -0.761 7.780 1.00 0.00 C ATOM 0 H THR A 6 7.391 -0.037 11.669 1.00 0.00 H new ATOM 0 HA THR A 6 5.519 0.034 9.552 1.00 0.00 H new ATOM 0 HB THR A 6 8.178 -1.354 9.672 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.919 0.811 8.832 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.377 -0.692 7.297 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.975 -1.746 7.595 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.740 0.004 7.373 1.00 0.00 H new ATOM 94 N GLU A 7 6.202 -2.909 10.868 1.00 0.00 N ATOM 95 CA GLU A 7 5.766 -4.302 10.920 1.00 0.00 C ATOM 96 C GLU A 7 4.247 -4.383 10.993 1.00 0.00 C ATOM 97 O GLU A 7 3.621 -5.151 10.261 1.00 0.00 O ATOM 98 CB GLU A 7 6.390 -5.012 12.126 1.00 0.00 C ATOM 99 CG GLU A 7 7.522 -5.956 11.754 1.00 0.00 C ATOM 100 CD GLU A 7 7.039 -7.170 10.985 1.00 0.00 C ATOM 101 OE1 GLU A 7 6.832 -7.052 9.759 1.00 0.00 O ATOM 102 OE2 GLU A 7 6.867 -8.239 11.609 1.00 0.00 O ATOM 0 H GLU A 7 6.910 -2.662 11.559 1.00 0.00 H new ATOM 0 HA GLU A 7 6.098 -4.800 10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.766 -4.264 12.824 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.615 -5.574 12.648 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.256 -5.419 11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.030 -6.283 12.661 1.00 0.00 H new ATOM 109 N ARG A 8 3.659 -3.570 11.856 1.00 0.00 N ATOM 110 CA ARG A 8 2.211 -3.533 11.994 1.00 0.00 C ATOM 111 C ARG A 8 1.596 -2.826 10.790 1.00 0.00 C ATOM 112 O ARG A 8 0.450 -3.082 10.421 1.00 0.00 O ATOM 113 CB ARG A 8 1.813 -2.819 13.288 1.00 0.00 C ATOM 114 CG ARG A 8 0.654 -3.480 14.015 1.00 0.00 C ATOM 115 CD ARG A 8 -0.686 -3.070 13.424 1.00 0.00 C ATOM 116 NE ARG A 8 -1.504 -2.333 14.384 1.00 0.00 N ATOM 117 CZ ARG A 8 -2.606 -1.661 14.058 1.00 0.00 C ATOM 118 NH1 ARG A 8 -3.025 -1.631 12.798 1.00 0.00 N ATOM 119 NH2 ARG A 8 -3.291 -1.017 14.993 1.00 0.00 N ATOM 0 H ARG A 8 4.160 -2.928 12.470 1.00 0.00 H new ATOM 0 HA ARG A 8 1.836 -4.555 12.038 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.676 -2.783 13.953 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.546 -1.788 13.057 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.760 -4.563 13.960 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.685 -3.210 15.071 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.519 -2.453 12.541 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.225 -3.959 13.095 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.214 -2.333 15.362 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.502 -2.124 12.075 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.870 -1.115 12.554 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.974 -1.036 15.962 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.135 -0.502 14.743 1.00 0.00 H new ATOM 132 N CYS A 9 2.378 -1.935 10.181 1.00 0.00 N ATOM 133 CA CYS A 9 1.932 -1.183 9.017 1.00 0.00 C ATOM 134 C CYS A 9 1.654 -2.114 7.839 1.00 0.00 C ATOM 135 O CYS A 9 0.576 -2.067 7.245 1.00 0.00 O ATOM 136 CB CYS A 9 2.977 -0.105 8.657 1.00 0.00 C ATOM 137 SG CYS A 9 4.007 -0.451 7.207 1.00 0.00 S ATOM 0 H CYS A 9 3.329 -1.718 10.480 1.00 0.00 H new ATOM 0 HA CYS A 9 0.994 -0.682 9.257 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.455 0.837 8.491 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.631 0.040 9.517 1.00 0.00 H new ATOM 0 HG CYS A 9 4.834 -1.415 7.482 1.00 0.00 H new ATOM 143 N ILE A 10 2.625 -2.960 7.501 1.00 0.00 N ATOM 144 CA ILE A 10 2.469 -3.884 6.390 1.00 0.00 C ATOM 145 C ILE A 10 1.229 -4.749 6.568 1.00 0.00 C ATOM 146 O ILE A 10 0.343 -4.756 5.719 1.00 0.00 O ATOM 147 CB ILE A 10 3.702 -4.796 6.244 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.983 -3.965 6.239 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.602 -5.624 4.975 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.786 -4.090 7.506 1.00 0.00 C ATOM 0 H ILE A 10 3.523 -3.022 7.981 1.00 0.00 H new ATOM 0 HA ILE A 10 2.362 -3.282 5.487 1.00 0.00 H new ATOM 0 HB ILE A 10 3.733 -5.474 7.097 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.601 -4.271 5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.726 -2.917 6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.481 -6.263 4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.706 -6.243 5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.547 -4.961 4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.682 -3.473 7.432 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.185 -3.757 8.352 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.074 -5.131 7.653 1.00 0.00 H new ATOM 162 N GLU A 11 1.163 -5.466 7.683 1.00 0.00 N ATOM 163 CA GLU A 11 0.018 -6.323 7.967 1.00 0.00 C ATOM 164 C GLU A 11 -1.281 -5.530 7.895 1.00 0.00 C ATOM 165 O GLU A 11 -2.345 -6.080 7.613 1.00 0.00 O ATOM 166 CB GLU A 11 0.165 -6.971 9.346 1.00 0.00 C ATOM 167 CG GLU A 11 0.306 -8.483 9.289 1.00 0.00 C ATOM 168 CD GLU A 11 -0.273 -9.169 10.511 1.00 0.00 C ATOM 169 OE1 GLU A 11 0.280 -8.979 11.615 1.00 0.00 O ATOM 170 OE2 GLU A 11 -1.278 -9.895 10.364 1.00 0.00 O ATOM 0 H GLU A 11 1.886 -5.472 8.403 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.015 -7.108 7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.038 -6.551 9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.704 -6.717 9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.194 -8.857 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.361 -8.743 9.197 1.00 0.00 H new ATOM 177 N SER A 12 -1.182 -4.235 8.163 1.00 0.00 N ATOM 178 CA SER A 12 -2.340 -3.356 8.144 1.00 0.00 C ATOM 179 C SER A 12 -2.973 -3.267 6.751 1.00 0.00 C ATOM 180 O SER A 12 -4.167 -3.511 6.594 1.00 0.00 O ATOM 181 CB SER A 12 -1.931 -1.964 8.627 1.00 0.00 C ATOM 182 OG SER A 12 -2.833 -1.477 9.606 1.00 0.00 O ATOM 0 H SER A 12 -0.305 -3.769 8.397 1.00 0.00 H new ATOM 0 HA SER A 12 -3.091 -3.776 8.813 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.924 -2.001 9.043 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.901 -1.277 7.782 1.00 0.00 H new ATOM 0 HG SER A 12 -2.333 -1.015 10.311 1.00 0.00 H new ATOM 188 N LEU A 13 -2.178 -2.896 5.749 1.00 0.00 N ATOM 189 CA LEU A 13 -2.675 -2.751 4.384 1.00 0.00 C ATOM 190 C LEU A 13 -2.981 -4.098 3.712 1.00 0.00 C ATOM 191 O LEU A 13 -3.866 -4.190 2.863 1.00 0.00 O ATOM 192 CB LEU A 13 -1.650 -1.982 3.563 1.00 0.00 C ATOM 193 CG LEU A 13 -1.872 -0.471 3.492 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.190 -0.154 2.818 1.00 0.00 C ATOM 195 CD2 LEU A 13 -1.839 0.168 4.866 1.00 0.00 C ATOM 0 H LEU A 13 -1.185 -2.690 5.858 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.618 -2.206 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.661 -2.168 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.648 -2.381 2.549 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.055 -0.056 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.328 0.927 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.187 -0.557 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.006 -0.603 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.001 1.242 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.624 -0.264 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.869 -0.014 5.329 1.00 0.00 H new ATOM 207 N ILE A 14 -2.249 -5.139 4.072 1.00 0.00 N ATOM 208 CA ILE A 14 -2.464 -6.446 3.481 1.00 0.00 C ATOM 209 C ILE A 14 -3.772 -7.057 3.923 1.00 0.00 C ATOM 210 O ILE A 14 -4.441 -7.751 3.166 1.00 0.00 O ATOM 211 CB ILE A 14 -1.396 -7.443 3.917 1.00 0.00 C ATOM 212 CG1 ILE A 14 -0.011 -6.842 3.875 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.467 -8.678 3.062 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.899 -7.499 4.869 1.00 0.00 C ATOM 0 H ILE A 14 -1.504 -5.104 4.768 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.445 -6.274 2.405 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.595 -7.714 4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.404 -6.949 2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.070 -5.774 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.701 -9.385 3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.450 -9.137 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.302 -8.408 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.888 -7.044 4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.495 -7.369 5.873 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.976 -8.563 4.644 1.00 0.00 H new ATOM 226 N ALA A 15 -4.083 -6.837 5.180 1.00 0.00 N ATOM 227 CA ALA A 15 -5.257 -7.412 5.794 1.00 0.00 C ATOM 228 C ALA A 15 -6.528 -6.731 5.336 1.00 0.00 C ATOM 229 O ALA A 15 -7.554 -7.385 5.149 1.00 0.00 O ATOM 230 CB ALA A 15 -5.079 -7.375 7.291 1.00 0.00 C ATOM 0 H ALA A 15 -3.528 -6.253 5.806 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.365 -8.450 5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.957 -7.806 7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.195 -7.950 7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.956 -6.342 7.617 1.00 0.00 H new ATOM 236 N VAL A 16 -6.452 -5.430 5.099 1.00 0.00 N ATOM 237 CA VAL A 16 -7.596 -4.702 4.597 1.00 0.00 C ATOM 238 C VAL A 16 -8.107 -5.430 3.362 1.00 0.00 C ATOM 239 O VAL A 16 -9.309 -5.592 3.156 1.00 0.00 O ATOM 240 CB VAL A 16 -7.192 -3.269 4.223 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.522 -2.586 5.399 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.252 -3.290 3.038 1.00 0.00 C ATOM 0 H VAL A 16 -5.616 -4.865 5.246 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.372 -4.650 5.361 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.090 -2.711 3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.241 -1.571 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.213 -2.552 6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.630 -3.144 5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.970 -2.269 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.358 -3.860 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.749 -3.756 2.187 1.00 0.00 H new ATOM 252 N PHE A 17 -7.149 -5.897 2.564 1.00 0.00 N ATOM 253 CA PHE A 17 -7.451 -6.649 1.354 1.00 0.00 C ATOM 254 C PHE A 17 -7.946 -8.053 1.711 1.00 0.00 C ATOM 255 O PHE A 17 -9.050 -8.442 1.334 1.00 0.00 O ATOM 256 CB PHE A 17 -6.196 -6.734 0.475 1.00 0.00 C ATOM 257 CG PHE A 17 -6.248 -7.806 -0.579 1.00 0.00 C ATOM 258 CD1 PHE A 17 -6.976 -7.621 -1.743 1.00 0.00 C ATOM 259 CD2 PHE A 17 -5.564 -8.998 -0.403 1.00 0.00 C ATOM 260 CE1 PHE A 17 -7.020 -8.605 -2.712 1.00 0.00 C ATOM 261 CE2 PHE A 17 -5.605 -9.986 -1.369 1.00 0.00 C ATOM 262 CZ PHE A 17 -6.333 -9.789 -2.525 1.00 0.00 C ATOM 0 H PHE A 17 -6.153 -5.765 2.737 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.239 -6.137 0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.042 -5.771 -0.011 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.331 -6.911 1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.515 -6.698 -1.895 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.992 -9.157 0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.591 -8.449 -3.615 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.068 -10.911 -1.219 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.366 -10.559 -3.282 1.00 0.00 H new ATOM 272 N GLN A 18 -7.115 -8.803 2.436 1.00 0.00 N ATOM 273 CA GLN A 18 -7.446 -10.173 2.842 1.00 0.00 C ATOM 274 C GLN A 18 -8.834 -10.272 3.464 1.00 0.00 C ATOM 275 O GLN A 18 -9.618 -11.151 3.108 1.00 0.00 O ATOM 276 CB GLN A 18 -6.425 -10.698 3.857 1.00 0.00 C ATOM 277 CG GLN A 18 -4.982 -10.406 3.495 1.00 0.00 C ATOM 278 CD GLN A 18 -4.376 -11.477 2.619 1.00 0.00 C ATOM 279 OE1 GLN A 18 -3.479 -12.209 3.035 1.00 0.00 O ATOM 280 NE2 GLN A 18 -4.870 -11.569 1.391 1.00 0.00 N ATOM 0 H GLN A 18 -6.201 -8.483 2.757 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.425 -10.775 1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.639 -10.259 4.831 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.551 -11.776 3.958 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.927 -9.447 2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.394 -10.312 4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.614 -10.939 1.092 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.506 -12.270 0.746 1.00 0.00 H new ATOM 289 N LYS A 19 -9.124 -9.391 4.413 1.00 0.00 N ATOM 290 CA LYS A 19 -10.409 -9.410 5.100 1.00 0.00 C ATOM 291 C LYS A 19 -11.570 -9.523 4.114 1.00 0.00 C ATOM 292 O LYS A 19 -12.424 -10.401 4.247 1.00 0.00 O ATOM 293 CB LYS A 19 -10.568 -8.148 5.948 1.00 0.00 C ATOM 294 CG LYS A 19 -11.880 -8.082 6.711 1.00 0.00 C ATOM 295 CD LYS A 19 -11.836 -8.935 7.969 1.00 0.00 C ATOM 296 CE LYS A 19 -12.433 -10.312 7.731 1.00 0.00 C ATOM 297 NZ LYS A 19 -12.764 -11.003 9.009 1.00 0.00 N ATOM 0 H LYS A 19 -8.489 -8.656 4.724 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.429 -10.288 5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.743 -8.092 6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.491 -7.275 5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.095 -7.047 6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.693 -8.420 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.804 -9.038 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.382 -8.434 8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.334 -10.217 7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.729 -10.919 7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.169 -11.939 8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.900 -11.117 9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.455 -10.436 9.541 1.00 0.00 H new ATOM 311 N TYR A 20 -11.583 -8.655 3.111 1.00 0.00 N ATOM 312 CA TYR A 20 -12.624 -8.689 2.094 1.00 0.00 C ATOM 313 C TYR A 20 -12.316 -9.763 1.063 1.00 0.00 C ATOM 314 O TYR A 20 -13.208 -10.304 0.409 1.00 0.00 O ATOM 315 CB TYR A 20 -12.779 -7.319 1.433 1.00 0.00 C ATOM 316 CG TYR A 20 -13.954 -6.533 1.972 1.00 0.00 C ATOM 317 CD1 TYR A 20 -13.839 -5.787 3.138 1.00 0.00 C ATOM 318 CD2 TYR A 20 -15.181 -6.546 1.321 1.00 0.00 C ATOM 319 CE1 TYR A 20 -14.911 -5.073 3.638 1.00 0.00 C ATOM 320 CE2 TYR A 20 -16.259 -5.835 1.815 1.00 0.00 C ATOM 321 CZ TYR A 20 -16.118 -5.100 2.973 1.00 0.00 C ATOM 322 OH TYR A 20 -17.189 -4.391 3.468 1.00 0.00 O ATOM 0 H TYR A 20 -10.887 -7.921 2.980 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.572 -8.936 2.572 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.865 -6.744 1.582 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -12.900 -7.452 0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.895 -5.765 3.663 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.295 -7.121 0.414 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.804 -4.497 4.545 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -17.206 -5.855 1.297 1.00 0.00 H new ATOM 0 HH TYR A 20 -17.975 -4.974 3.512 1.00 0.00 H new ATOM 332 N ALA A 21 -11.027 -10.045 0.922 1.00 0.00 N ATOM 333 CA ALA A 21 -10.536 -11.028 -0.026 1.00 0.00 C ATOM 334 C ALA A 21 -10.448 -12.421 0.596 1.00 0.00 C ATOM 335 O ALA A 21 -9.728 -13.286 0.095 1.00 0.00 O ATOM 336 CB ALA A 21 -9.174 -10.575 -0.521 1.00 0.00 C ATOM 0 H ALA A 21 -10.292 -9.594 1.466 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.235 -11.101 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.787 -11.301 -1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.268 -9.603 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.488 -10.495 0.323 1.00 0.00 H new ATOM 342 N GLY A 22 -11.178 -12.634 1.688 1.00 0.00 N ATOM 343 CA GLY A 22 -11.159 -13.926 2.352 1.00 0.00 C ATOM 344 C GLY A 22 -12.533 -14.559 2.431 1.00 0.00 C ATOM 345 O GLY A 22 -13.274 -14.334 3.387 1.00 0.00 O ATOM 0 H GLY A 22 -11.781 -11.936 2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.485 -14.595 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.759 -13.807 3.359 1.00 0.00 H new ATOM 349 N LYS A 23 -12.874 -15.354 1.422 1.00 0.00 N ATOM 350 CA LYS A 23 -14.168 -16.024 1.380 1.00 0.00 C ATOM 351 C LYS A 23 -14.020 -17.462 0.892 1.00 0.00 C ATOM 352 O LYS A 23 -14.812 -17.937 0.076 1.00 0.00 O ATOM 353 CB LYS A 23 -15.132 -15.259 0.471 1.00 0.00 C ATOM 354 CG LYS A 23 -15.729 -14.022 1.124 1.00 0.00 C ATOM 355 CD LYS A 23 -17.234 -14.151 1.299 1.00 0.00 C ATOM 356 CE LYS A 23 -17.594 -14.624 2.697 1.00 0.00 C ATOM 357 NZ LYS A 23 -19.020 -14.350 3.027 1.00 0.00 N ATOM 0 H LYS A 23 -12.272 -15.550 0.622 1.00 0.00 H new ATOM 0 HA LYS A 23 -14.573 -16.044 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.606 -14.963 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.939 -15.926 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.262 -13.862 2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.507 -13.146 0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -17.707 -13.188 1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.628 -14.853 0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.402 -15.694 2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.951 -14.128 3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.225 -14.688 3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.198 -13.327 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.634 -14.844 2.349 1.00 0.00 H new ATOM 371 N ASP A 24 -13.001 -18.151 1.397 1.00 0.00 N ATOM 372 CA ASP A 24 -12.749 -19.535 1.016 1.00 0.00 C ATOM 373 C ASP A 24 -12.441 -19.643 -0.476 1.00 0.00 C ATOM 374 O ASP A 24 -13.300 -19.380 -1.317 1.00 0.00 O ATOM 375 CB ASP A 24 -13.954 -20.410 1.363 1.00 0.00 C ATOM 376 CG ASP A 24 -13.837 -21.034 2.740 1.00 0.00 C ATOM 377 OD1 ASP A 24 -13.440 -20.321 3.684 1.00 0.00 O ATOM 378 OD2 ASP A 24 -14.144 -22.238 2.874 1.00 0.00 O ATOM 0 H ASP A 24 -12.336 -17.772 2.072 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.881 -19.886 1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.862 -19.809 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.054 -21.198 0.617 1.00 0.00 H new ATOM 383 N GLY A 25 -11.212 -20.034 -0.794 1.00 0.00 N ATOM 384 CA GLY A 25 -10.814 -20.172 -2.184 1.00 0.00 C ATOM 385 C GLY A 25 -10.016 -18.983 -2.681 1.00 0.00 C ATOM 386 O GLY A 25 -10.126 -17.883 -2.140 1.00 0.00 O ATOM 0 H GLY A 25 -10.484 -20.258 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.220 -21.078 -2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.703 -20.293 -2.803 1.00 0.00 H new ATOM 390 N HIS A 26 -9.212 -19.206 -3.717 1.00 0.00 N ATOM 391 CA HIS A 26 -8.390 -18.146 -4.294 1.00 0.00 C ATOM 392 C HIS A 26 -7.324 -17.681 -3.306 1.00 0.00 C ATOM 393 O HIS A 26 -6.148 -18.018 -3.443 1.00 0.00 O ATOM 394 CB HIS A 26 -9.266 -16.962 -4.718 1.00 0.00 C ATOM 395 CG HIS A 26 -9.122 -16.598 -6.162 1.00 0.00 C ATOM 396 ND1 HIS A 26 -10.157 -16.091 -6.918 1.00 0.00 N ATOM 397 CD2 HIS A 26 -8.054 -16.671 -6.993 1.00 0.00 C ATOM 398 CE1 HIS A 26 -9.734 -15.867 -8.149 1.00 0.00 C ATOM 399 NE2 HIS A 26 -8.461 -16.211 -8.220 1.00 0.00 N ATOM 0 H HIS A 26 -9.112 -20.112 -4.175 1.00 0.00 H new ATOM 0 HA HIS A 26 -7.889 -18.550 -5.174 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -10.310 -17.202 -4.515 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.013 -16.096 -4.106 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.066 -17.025 -6.737 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.328 -15.470 -8.959 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -7.875 -16.145 -9.052 1.00 0.00 H new ATOM 408 N SER A 27 -7.743 -16.906 -2.310 1.00 0.00 N ATOM 409 CA SER A 27 -6.823 -16.394 -1.301 1.00 0.00 C ATOM 410 C SER A 27 -5.749 -15.509 -1.930 1.00 0.00 C ATOM 411 O SER A 27 -4.698 -15.274 -1.334 1.00 0.00 O ATOM 412 CB SER A 27 -6.167 -17.552 -0.545 1.00 0.00 C ATOM 413 OG SER A 27 -6.890 -17.868 0.631 1.00 0.00 O ATOM 0 H SER A 27 -8.713 -16.619 -2.180 1.00 0.00 H new ATOM 0 HA SER A 27 -7.398 -15.788 -0.601 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.115 -18.429 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.142 -17.287 -0.285 1.00 0.00 H new ATOM 0 HG SER A 27 -6.452 -18.612 1.095 1.00 0.00 H new ATOM 419 N VAL A 28 -6.017 -15.019 -3.138 1.00 0.00 N ATOM 420 CA VAL A 28 -5.071 -14.161 -3.841 1.00 0.00 C ATOM 421 C VAL A 28 -5.792 -13.082 -4.649 1.00 0.00 C ATOM 422 O VAL A 28 -5.206 -12.473 -5.544 1.00 0.00 O ATOM 423 CB VAL A 28 -4.169 -14.977 -4.786 1.00 0.00 C ATOM 424 CG1 VAL A 28 -3.187 -15.822 -3.990 1.00 0.00 C ATOM 425 CG2 VAL A 28 -5.011 -15.848 -5.706 1.00 0.00 C ATOM 0 H VAL A 28 -6.881 -15.202 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.454 -13.685 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.597 -14.283 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.558 -16.391 -4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.561 -15.173 -3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.736 -16.509 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.357 -16.417 -6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.611 -16.535 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.669 -15.217 -6.303 1.00 0.00 H new ATOM 435 N THR A 29 -7.060 -12.847 -4.324 1.00 0.00 N ATOM 436 CA THR A 29 -7.854 -11.839 -5.018 1.00 0.00 C ATOM 437 C THR A 29 -8.985 -11.335 -4.130 1.00 0.00 C ATOM 438 O THR A 29 -9.106 -11.732 -2.972 1.00 0.00 O ATOM 439 CB THR A 29 -8.428 -12.403 -6.315 1.00 0.00 C ATOM 440 OG1 THR A 29 -9.069 -13.645 -6.086 1.00 0.00 O ATOM 441 CG2 THR A 29 -7.383 -12.615 -7.387 1.00 0.00 C ATOM 0 H THR A 29 -7.559 -13.341 -3.584 1.00 0.00 H new ATOM 0 HA THR A 29 -7.196 -11.003 -5.257 1.00 0.00 H new ATOM 0 HB THR A 29 -9.139 -11.654 -6.665 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.964 -13.630 -6.486 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.857 -13.017 -8.282 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.907 -11.664 -7.625 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.631 -13.317 -7.028 1.00 0.00 H new ATOM 449 N LEU A 30 -9.811 -10.458 -4.687 1.00 0.00 N ATOM 450 CA LEU A 30 -10.938 -9.890 -3.956 1.00 0.00 C ATOM 451 C LEU A 30 -12.104 -9.605 -4.914 1.00 0.00 C ATOM 452 O LEU A 30 -12.568 -10.508 -5.604 1.00 0.00 O ATOM 453 CB LEU A 30 -10.486 -8.620 -3.217 1.00 0.00 C ATOM 454 CG LEU A 30 -11.265 -8.281 -1.941 1.00 0.00 C ATOM 455 CD1 LEU A 30 -11.007 -6.840 -1.528 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.755 -8.524 -2.130 1.00 0.00 C ATOM 0 H LEU A 30 -9.721 -10.123 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.292 -10.606 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.432 -8.727 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.563 -7.776 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.915 -8.939 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.568 -6.616 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.942 -6.700 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.326 -6.170 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.284 -8.276 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.126 -7.898 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.925 -9.573 -2.374 1.00 0.00 H new ATOM 468 N SER A 31 -12.572 -8.355 -4.967 1.00 0.00 N ATOM 469 CA SER A 31 -13.667 -7.980 -5.853 1.00 0.00 C ATOM 470 C SER A 31 -13.877 -6.470 -5.811 1.00 0.00 C ATOM 471 O SER A 31 -13.981 -5.880 -4.736 1.00 0.00 O ATOM 472 CB SER A 31 -14.960 -8.711 -5.472 1.00 0.00 C ATOM 473 OG SER A 31 -14.721 -9.720 -4.505 1.00 0.00 O ATOM 0 H SER A 31 -12.206 -7.587 -4.404 1.00 0.00 H new ATOM 0 HA SER A 31 -13.403 -8.274 -6.869 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.682 -7.995 -5.081 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.403 -9.157 -6.363 1.00 0.00 H new ATOM 0 HG SER A 31 -15.565 -10.166 -4.283 1.00 0.00 H new ATOM 479 N LYS A 32 -13.925 -5.847 -6.985 1.00 0.00 N ATOM 480 CA LYS A 32 -14.103 -4.400 -7.077 1.00 0.00 C ATOM 481 C LYS A 32 -15.281 -3.934 -6.224 1.00 0.00 C ATOM 482 O LYS A 32 -15.206 -2.902 -5.556 1.00 0.00 O ATOM 483 CB LYS A 32 -14.316 -3.984 -8.533 1.00 0.00 C ATOM 484 CG LYS A 32 -14.116 -2.496 -8.776 1.00 0.00 C ATOM 485 CD LYS A 32 -15.445 -1.768 -8.904 1.00 0.00 C ATOM 486 CE LYS A 32 -16.007 -1.880 -10.313 1.00 0.00 C ATOM 487 NZ LYS A 32 -16.786 -0.670 -10.697 1.00 0.00 N ATOM 0 H LYS A 32 -13.843 -6.320 -7.885 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.198 -3.926 -6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.627 -4.543 -9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.325 -4.261 -8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.542 -2.066 -7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.531 -2.350 -9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.159 -2.183 -8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.312 -0.717 -8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.190 -2.025 -11.020 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.647 -2.760 -10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.692 -0.507 -11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.788 -0.813 -10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.422 0.156 -10.180 1.00 0.00 H new ATOM 501 N THR A 33 -16.365 -4.704 -6.244 1.00 0.00 N ATOM 502 CA THR A 33 -17.550 -4.376 -5.470 1.00 0.00 C ATOM 503 C THR A 33 -17.282 -4.597 -3.985 1.00 0.00 C ATOM 504 O THR A 33 -17.650 -3.778 -3.149 1.00 0.00 O ATOM 505 CB THR A 33 -18.736 -5.222 -5.945 1.00 0.00 C ATOM 506 OG1 THR A 33 -19.445 -4.555 -6.974 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.726 -5.553 -4.851 1.00 0.00 C ATOM 0 H THR A 33 -16.444 -5.561 -6.791 1.00 0.00 H new ATOM 0 HA THR A 33 -17.798 -3.325 -5.619 1.00 0.00 H new ATOM 0 HB THR A 33 -18.295 -6.153 -6.301 1.00 0.00 H new ATOM 0 HG1 THR A 33 -20.198 -5.111 -7.266 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.537 -6.153 -5.264 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.223 -6.114 -4.063 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.132 -4.630 -4.437 1.00 0.00 H new ATOM 515 N GLU A 34 -16.619 -5.700 -3.658 1.00 0.00 N ATOM 516 CA GLU A 34 -16.293 -5.992 -2.270 1.00 0.00 C ATOM 517 C GLU A 34 -15.507 -4.827 -1.677 1.00 0.00 C ATOM 518 O GLU A 34 -15.596 -4.539 -0.484 1.00 0.00 O ATOM 519 CB GLU A 34 -15.488 -7.286 -2.168 1.00 0.00 C ATOM 520 CG GLU A 34 -16.319 -8.483 -1.732 1.00 0.00 C ATOM 521 CD GLU A 34 -15.514 -9.498 -0.946 1.00 0.00 C ATOM 522 OE1 GLU A 34 -14.826 -10.328 -1.577 1.00 0.00 O ATOM 523 OE2 GLU A 34 -15.574 -9.465 0.302 1.00 0.00 O ATOM 0 H GLU A 34 -16.300 -6.400 -4.328 1.00 0.00 H new ATOM 0 HA GLU A 34 -17.217 -6.124 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.036 -7.501 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.672 -7.142 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.155 -8.138 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.744 -8.965 -2.612 1.00 0.00 H new ATOM 530 N PHE A 35 -14.762 -4.141 -2.539 1.00 0.00 N ATOM 531 CA PHE A 35 -13.981 -2.982 -2.132 1.00 0.00 C ATOM 532 C PHE A 35 -14.919 -1.839 -1.765 1.00 0.00 C ATOM 533 O PHE A 35 -14.649 -1.059 -0.852 1.00 0.00 O ATOM 534 CB PHE A 35 -13.047 -2.553 -3.267 1.00 0.00 C ATOM 535 CG PHE A 35 -11.728 -2.009 -2.801 1.00 0.00 C ATOM 536 CD1 PHE A 35 -11.666 -1.082 -1.773 1.00 0.00 C ATOM 537 CD2 PHE A 35 -10.548 -2.424 -3.395 1.00 0.00 C ATOM 538 CE1 PHE A 35 -10.451 -0.580 -1.346 1.00 0.00 C ATOM 539 CE2 PHE A 35 -9.332 -1.927 -2.974 1.00 0.00 C ATOM 540 CZ PHE A 35 -9.282 -1.004 -1.948 1.00 0.00 C ATOM 0 H PHE A 35 -14.684 -4.371 -3.530 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.377 -3.243 -1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.866 -3.409 -3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.548 -1.795 -3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.578 -0.748 -1.300 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.580 -3.146 -4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.416 0.142 -0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.420 -2.260 -3.447 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.331 -0.614 -1.617 1.00 0.00 H new ATOM 550 N LEU A 36 -16.036 -1.758 -2.485 1.00 0.00 N ATOM 551 CA LEU A 36 -17.037 -0.726 -2.248 1.00 0.00 C ATOM 552 C LEU A 36 -17.466 -0.704 -0.801 1.00 0.00 C ATOM 553 O LEU A 36 -17.359 0.309 -0.110 1.00 0.00 O ATOM 554 CB LEU A 36 -18.277 -1.008 -3.090 1.00 0.00 C ATOM 555 CG LEU A 36 -18.347 -0.250 -4.392 1.00 0.00 C ATOM 556 CD1 LEU A 36 -18.378 1.241 -4.110 1.00 0.00 C ATOM 557 CD2 LEU A 36 -17.169 -0.627 -5.271 1.00 0.00 C ATOM 0 H LEU A 36 -16.269 -2.401 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.590 0.232 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.317 -2.076 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.161 -0.769 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.260 -0.513 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -18.429 1.788 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -19.253 1.479 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.475 1.528 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -17.225 -0.076 -6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -16.239 -0.379 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -17.196 -1.697 -5.476 1.00 0.00 H new ATOM 569 N SER A 37 -17.981 -1.836 -0.369 1.00 0.00 N ATOM 570 CA SER A 37 -18.473 -1.980 0.985 1.00 0.00 C ATOM 571 C SER A 37 -17.382 -1.678 2.007 1.00 0.00 C ATOM 572 O SER A 37 -17.675 -1.248 3.121 1.00 0.00 O ATOM 573 CB SER A 37 -19.028 -3.387 1.207 1.00 0.00 C ATOM 574 OG SER A 37 -19.965 -3.402 2.271 1.00 0.00 O ATOM 0 H SER A 37 -18.070 -2.676 -0.941 1.00 0.00 H new ATOM 0 HA SER A 37 -19.277 -1.257 1.124 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.504 -3.742 0.293 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.211 -4.073 1.428 1.00 0.00 H new ATOM 0 HG SER A 37 -20.307 -4.312 2.393 1.00 0.00 H new ATOM 580 N PHE A 38 -16.125 -1.899 1.624 1.00 0.00 N ATOM 581 CA PHE A 38 -15.003 -1.642 2.521 1.00 0.00 C ATOM 582 C PHE A 38 -15.011 -0.186 2.973 1.00 0.00 C ATOM 583 O PHE A 38 -14.940 0.108 4.166 1.00 0.00 O ATOM 584 CB PHE A 38 -13.673 -1.970 1.839 1.00 0.00 C ATOM 585 CG PHE A 38 -12.507 -1.953 2.785 1.00 0.00 C ATOM 586 CD1 PHE A 38 -12.065 -0.763 3.339 1.00 0.00 C ATOM 587 CD2 PHE A 38 -11.862 -3.129 3.130 1.00 0.00 C ATOM 588 CE1 PHE A 38 -10.999 -0.747 4.217 1.00 0.00 C ATOM 589 CE2 PHE A 38 -10.796 -3.118 4.009 1.00 0.00 C ATOM 590 CZ PHE A 38 -10.363 -1.925 4.552 1.00 0.00 C ATOM 0 H PHE A 38 -15.861 -2.253 0.705 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.112 -2.287 3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.742 -2.954 1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -13.495 -1.252 1.039 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -12.559 0.162 3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -12.196 -4.065 2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.663 0.188 4.641 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.302 -4.042 4.271 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.528 -1.914 5.237 1.00 0.00 H new ATOM 600 N MET A 39 -15.115 0.721 2.009 1.00 0.00 N ATOM 601 CA MET A 39 -15.155 2.145 2.306 1.00 0.00 C ATOM 602 C MET A 39 -16.354 2.462 3.186 1.00 0.00 C ATOM 603 O MET A 39 -16.258 3.214 4.155 1.00 0.00 O ATOM 604 CB MET A 39 -15.241 2.946 1.008 1.00 0.00 C ATOM 605 CG MET A 39 -13.905 3.494 0.546 1.00 0.00 C ATOM 606 SD MET A 39 -12.806 2.211 -0.080 1.00 0.00 S ATOM 607 CE MET A 39 -11.220 2.858 0.437 1.00 0.00 C ATOM 0 H MET A 39 -15.173 0.495 1.016 1.00 0.00 H new ATOM 0 HA MET A 39 -14.243 2.419 2.836 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.654 2.310 0.225 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.936 3.774 1.147 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.072 4.236 -0.235 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.421 4.008 1.376 1.00 0.00 H new ATOM 0 HE1 MET A 39 -10.490 2.049 0.471 1.00 0.00 H new ATOM 0 HE2 MET A 39 -10.888 3.617 -0.272 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.314 3.303 1.428 1.00 0.00 H new ATOM 617 N ASN A 40 -17.484 1.878 2.826 1.00 0.00 N ATOM 618 CA ASN A 40 -18.726 2.078 3.554 1.00 0.00 C ATOM 619 C ASN A 40 -18.639 1.551 4.989 1.00 0.00 C ATOM 620 O ASN A 40 -19.452 1.922 5.836 1.00 0.00 O ATOM 621 CB ASN A 40 -19.878 1.394 2.813 1.00 0.00 C ATOM 622 CG ASN A 40 -20.292 2.150 1.563 1.00 0.00 C ATOM 623 OD1 ASN A 40 -20.824 3.257 1.645 1.00 0.00 O ATOM 624 ND2 ASN A 40 -20.050 1.558 0.395 1.00 0.00 N ATOM 0 H ASN A 40 -17.567 1.254 2.024 1.00 0.00 H new ATOM 0 HA ASN A 40 -18.910 3.151 3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.581 0.381 2.540 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.735 1.305 3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -20.308 2.023 -0.476 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.607 0.640 0.371 1.00 0.00 H new ATOM 631 N THR A 41 -17.675 0.669 5.260 1.00 0.00 N ATOM 632 CA THR A 41 -17.539 0.095 6.599 1.00 0.00 C ATOM 633 C THR A 41 -16.332 0.628 7.371 1.00 0.00 C ATOM 634 O THR A 41 -16.469 1.046 8.521 1.00 0.00 O ATOM 635 CB THR A 41 -17.448 -1.432 6.529 1.00 0.00 C ATOM 636 OG1 THR A 41 -17.307 -1.982 7.827 1.00 0.00 O ATOM 637 CG2 THR A 41 -16.292 -1.938 5.694 1.00 0.00 C ATOM 0 H THR A 41 -16.987 0.341 4.582 1.00 0.00 H new ATOM 0 HA THR A 41 -18.435 0.399 7.140 1.00 0.00 H new ATOM 0 HB THR A 41 -18.377 -1.749 6.055 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.252 -2.958 7.764 1.00 0.00 H new ATOM 0 HG21 THR A 41 -16.294 -3.028 5.692 1.00 0.00 H new ATOM 0 HG22 THR A 41 -16.394 -1.573 4.672 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.354 -1.578 6.115 1.00 0.00 H new ATOM 645 N GLU A 42 -15.144 0.565 6.774 1.00 0.00 N ATOM 646 CA GLU A 42 -13.936 0.998 7.474 1.00 0.00 C ATOM 647 C GLU A 42 -13.106 2.002 6.674 1.00 0.00 C ATOM 648 O GLU A 42 -11.888 2.072 6.836 1.00 0.00 O ATOM 649 CB GLU A 42 -13.078 -0.223 7.820 1.00 0.00 C ATOM 650 CG GLU A 42 -13.885 -1.468 8.176 1.00 0.00 C ATOM 651 CD GLU A 42 -13.662 -1.917 9.607 1.00 0.00 C ATOM 652 OE1 GLU A 42 -13.470 -1.045 10.480 1.00 0.00 O ATOM 653 OE2 GLU A 42 -13.679 -3.142 9.854 1.00 0.00 O ATOM 0 H GLU A 42 -14.992 0.225 5.824 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.259 1.508 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.431 -0.452 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.428 0.028 8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.945 -1.265 8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.615 -2.278 7.498 1.00 0.00 H new ATOM 660 N LEU A 43 -13.762 2.788 5.831 1.00 0.00 N ATOM 661 CA LEU A 43 -13.073 3.795 5.032 1.00 0.00 C ATOM 662 C LEU A 43 -14.072 4.761 4.410 1.00 0.00 C ATOM 663 O LEU A 43 -13.986 5.093 3.227 1.00 0.00 O ATOM 664 CB LEU A 43 -12.217 3.132 3.948 1.00 0.00 C ATOM 665 CG LEU A 43 -10.753 2.900 4.328 1.00 0.00 C ATOM 666 CD1 LEU A 43 -9.947 2.462 3.116 1.00 0.00 C ATOM 667 CD2 LEU A 43 -10.154 4.157 4.944 1.00 0.00 C ATOM 0 H LEU A 43 -14.770 2.749 5.682 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.413 4.361 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.665 2.173 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.250 3.751 3.052 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.715 2.103 5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.909 2.302 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.360 1.534 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.994 3.235 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.113 3.972 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.207 4.975 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.713 4.425 5.840 1.00 0.00 H new ATOM 679 N ALA A 44 -15.018 5.218 5.223 1.00 0.00 N ATOM 680 CA ALA A 44 -16.033 6.155 4.765 1.00 0.00 C ATOM 681 C ALA A 44 -15.438 7.547 4.612 1.00 0.00 C ATOM 682 O ALA A 44 -15.873 8.330 3.771 1.00 0.00 O ATOM 683 CB ALA A 44 -17.207 6.181 5.732 1.00 0.00 C ATOM 0 H ALA A 44 -15.102 4.953 6.204 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.396 5.825 3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.957 6.887 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.647 5.186 5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.859 6.489 6.718 1.00 0.00 H new ATOM 689 N ALA A 45 -14.433 7.843 5.429 1.00 0.00 N ATOM 690 CA ALA A 45 -13.765 9.136 5.385 1.00 0.00 C ATOM 691 C ALA A 45 -13.220 9.419 3.989 1.00 0.00 C ATOM 692 O ALA A 45 -13.120 10.572 3.570 1.00 0.00 O ATOM 693 CB ALA A 45 -12.645 9.176 6.415 1.00 0.00 C ATOM 0 H ALA A 45 -14.063 7.202 6.131 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.493 9.912 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.150 10.146 6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.061 9.020 7.411 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.922 8.390 6.197 1.00 0.00 H new ATOM 699 N PHE A 46 -12.872 8.355 3.271 1.00 0.00 N ATOM 700 CA PHE A 46 -12.341 8.481 1.919 1.00 0.00 C ATOM 701 C PHE A 46 -13.468 8.618 0.895 1.00 0.00 C ATOM 702 O PHE A 46 -13.215 8.811 -0.294 1.00 0.00 O ATOM 703 CB PHE A 46 -11.471 7.268 1.573 1.00 0.00 C ATOM 704 CG PHE A 46 -10.133 7.270 2.256 1.00 0.00 C ATOM 705 CD1 PHE A 46 -10.041 7.396 3.633 1.00 0.00 C ATOM 706 CD2 PHE A 46 -8.966 7.143 1.519 1.00 0.00 C ATOM 707 CE1 PHE A 46 -8.811 7.397 4.263 1.00 0.00 C ATOM 708 CE2 PHE A 46 -7.733 7.143 2.144 1.00 0.00 C ATOM 709 CZ PHE A 46 -7.655 7.270 3.517 1.00 0.00 C ATOM 0 H PHE A 46 -12.949 7.394 3.605 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.730 9.383 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.007 6.358 1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.318 7.237 0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.942 7.495 4.221 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.021 7.043 0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.753 7.497 5.337 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.831 7.044 1.559 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.692 7.270 4.007 1.00 0.00 H new ATOM 719 N THR A 47 -14.710 8.507 1.359 1.00 0.00 N ATOM 720 CA THR A 47 -15.867 8.609 0.474 1.00 0.00 C ATOM 721 C THR A 47 -16.874 9.648 0.977 1.00 0.00 C ATOM 722 O THR A 47 -17.804 10.015 0.259 1.00 0.00 O ATOM 723 CB THR A 47 -16.545 7.241 0.341 1.00 0.00 C ATOM 724 OG1 THR A 47 -17.494 7.046 1.374 1.00 0.00 O ATOM 725 CG2 THR A 47 -15.571 6.083 0.391 1.00 0.00 C ATOM 0 H THR A 47 -14.941 8.347 2.340 1.00 0.00 H new ATOM 0 HA THR A 47 -15.513 8.937 -0.503 1.00 0.00 H new ATOM 0 HB THR A 47 -17.024 7.252 -0.638 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.113 7.340 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 47 -16.116 5.144 0.291 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.854 6.175 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 47 -15.040 6.095 1.343 1.00 0.00 H new ATOM 733 N LYS A 48 -16.687 10.118 2.210 1.00 0.00 N ATOM 734 CA LYS A 48 -17.584 11.109 2.793 1.00 0.00 C ATOM 735 C LYS A 48 -17.604 12.381 1.952 1.00 0.00 C ATOM 736 O LYS A 48 -16.569 12.823 1.455 1.00 0.00 O ATOM 737 CB LYS A 48 -17.154 11.436 4.224 1.00 0.00 C ATOM 738 CG LYS A 48 -17.817 10.559 5.274 1.00 0.00 C ATOM 739 CD LYS A 48 -16.858 10.216 6.402 1.00 0.00 C ATOM 740 CE LYS A 48 -17.594 10.008 7.716 1.00 0.00 C ATOM 741 NZ LYS A 48 -18.563 8.879 7.637 1.00 0.00 N ATOM 0 H LYS A 48 -15.924 9.828 2.821 1.00 0.00 H new ATOM 0 HA LYS A 48 -18.590 10.689 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.072 11.328 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -17.387 12.480 4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.689 11.072 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.176 9.641 4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -16.304 9.313 6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.127 11.017 6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.873 9.812 8.509 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.123 10.922 7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.520 9.227 7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.546 8.473 6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -18.301 8.147 8.328 1.00 0.00 H new ATOM 755 N ASN A 49 -18.793 12.962 1.792 1.00 0.00 N ATOM 756 CA ASN A 49 -18.964 14.185 1.005 1.00 0.00 C ATOM 757 C ASN A 49 -18.978 13.876 -0.491 1.00 0.00 C ATOM 758 O ASN A 49 -19.850 14.346 -1.221 1.00 0.00 O ATOM 759 CB ASN A 49 -17.859 15.200 1.318 1.00 0.00 C ATOM 760 CG ASN A 49 -17.568 15.300 2.804 1.00 0.00 C ATOM 761 OD1 ASN A 49 -18.331 15.902 3.557 1.00 0.00 O ATOM 762 ND2 ASN A 49 -16.459 14.707 3.230 1.00 0.00 N ATOM 0 H ASN A 49 -19.657 12.604 2.199 1.00 0.00 H new ATOM 0 HA ASN A 49 -19.925 14.620 1.281 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -16.948 14.916 0.791 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -18.152 16.180 0.941 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.211 14.740 4.219 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.855 14.219 2.568 1.00 0.00 H new ATOM 769 N GLN A 50 -18.010 13.082 -0.942 1.00 0.00 N ATOM 770 CA GLN A 50 -17.913 12.708 -2.348 1.00 0.00 C ATOM 771 C GLN A 50 -17.500 13.901 -3.203 1.00 0.00 C ATOM 772 O GLN A 50 -17.810 13.963 -4.393 1.00 0.00 O ATOM 773 CB GLN A 50 -19.248 12.139 -2.838 1.00 0.00 C ATOM 774 CG GLN A 50 -19.156 10.703 -3.323 1.00 0.00 C ATOM 775 CD GLN A 50 -18.786 10.605 -4.791 1.00 0.00 C ATOM 776 OE1 GLN A 50 -19.645 10.700 -5.666 1.00 0.00 O ATOM 777 NE2 GLN A 50 -17.500 10.413 -5.065 1.00 0.00 N ATOM 0 H GLN A 50 -17.280 12.685 -0.351 1.00 0.00 H new ATOM 0 HA GLN A 50 -17.145 11.940 -2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -19.976 12.194 -2.028 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -19.624 12.764 -3.648 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -18.414 10.170 -2.729 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -20.112 10.206 -3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.822 10.340 -4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -17.191 10.338 -6.034 1.00 0.00 H new ATOM 786 N LYS A 51 -16.790 14.845 -2.591 1.00 0.00 N ATOM 787 CA LYS A 51 -16.327 16.031 -3.301 1.00 0.00 C ATOM 788 C LYS A 51 -15.296 15.652 -4.359 1.00 0.00 C ATOM 789 O LYS A 51 -15.204 16.289 -5.409 1.00 0.00 O ATOM 790 CB LYS A 51 -15.722 17.037 -2.319 1.00 0.00 C ATOM 791 CG LYS A 51 -16.759 17.755 -1.469 1.00 0.00 C ATOM 792 CD LYS A 51 -16.295 17.904 -0.029 1.00 0.00 C ATOM 793 CE LYS A 51 -15.545 19.210 0.184 1.00 0.00 C ATOM 794 NZ LYS A 51 -15.938 19.874 1.457 1.00 0.00 N ATOM 0 H LYS A 51 -16.524 14.811 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.183 16.491 -3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.023 16.517 -1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.146 17.776 -2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.958 18.740 -1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.698 17.201 -1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.157 17.865 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.650 17.066 0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.472 19.016 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.741 19.882 -0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.405 20.760 1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.957 20.083 1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.727 19.244 2.257 1.00 0.00 H new ATOM 808 N ASP A 52 -14.527 14.607 -4.074 1.00 0.00 N ATOM 809 CA ASP A 52 -13.505 14.131 -4.997 1.00 0.00 C ATOM 810 C ASP A 52 -13.870 12.753 -5.540 1.00 0.00 C ATOM 811 O ASP A 52 -13.458 11.731 -4.992 1.00 0.00 O ATOM 812 CB ASP A 52 -12.145 14.072 -4.299 1.00 0.00 C ATOM 813 CG ASP A 52 -11.436 15.413 -4.300 1.00 0.00 C ATOM 814 OD1 ASP A 52 -10.919 15.811 -5.366 1.00 0.00 O ATOM 815 OD2 ASP A 52 -11.397 16.065 -3.236 1.00 0.00 O ATOM 0 H ASP A 52 -14.593 14.072 -3.208 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.446 14.830 -5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.282 13.737 -3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.517 13.332 -4.795 1.00 0.00 H new ATOM 820 N PRO A 53 -14.657 12.705 -6.630 1.00 0.00 N ATOM 821 CA PRO A 53 -15.084 11.449 -7.245 1.00 0.00 C ATOM 822 C PRO A 53 -14.042 10.873 -8.201 1.00 0.00 C ATOM 823 O PRO A 53 -14.387 10.317 -9.244 1.00 0.00 O ATOM 824 CB PRO A 53 -16.336 11.864 -8.010 1.00 0.00 C ATOM 825 CG PRO A 53 -16.068 13.272 -8.422 1.00 0.00 C ATOM 826 CD PRO A 53 -15.203 13.877 -7.343 1.00 0.00 C ATOM 0 HA PRO A 53 -15.244 10.663 -6.507 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.505 11.222 -8.875 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.226 11.795 -7.384 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -15.563 13.304 -9.387 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -16.999 13.828 -8.530 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -14.410 14.494 -7.765 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.783 14.516 -6.677 1.00 0.00 H new ATOM 834 N GLY A 54 -12.769 11.008 -7.843 1.00 0.00 N ATOM 835 CA GLY A 54 -11.705 10.493 -8.685 1.00 0.00 C ATOM 836 C GLY A 54 -10.635 9.753 -7.901 1.00 0.00 C ATOM 837 O GLY A 54 -9.628 9.335 -8.469 1.00 0.00 O ATOM 0 H GLY A 54 -12.456 11.464 -6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.131 9.822 -9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.245 11.320 -9.226 1.00 0.00 H new ATOM 841 N VAL A 55 -10.845 9.595 -6.597 1.00 0.00 N ATOM 842 CA VAL A 55 -9.884 8.899 -5.748 1.00 0.00 C ATOM 843 C VAL A 55 -10.107 7.389 -5.771 1.00 0.00 C ATOM 844 O VAL A 55 -9.241 6.629 -6.200 1.00 0.00 O ATOM 845 CB VAL A 55 -9.962 9.399 -4.292 1.00 0.00 C ATOM 846 CG1 VAL A 55 -8.914 8.714 -3.427 1.00 0.00 C ATOM 847 CG2 VAL A 55 -9.801 10.911 -4.240 1.00 0.00 C ATOM 0 H VAL A 55 -11.671 9.939 -6.106 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.894 9.116 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.944 9.144 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.989 9.083 -2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.081 7.637 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.920 8.931 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.859 11.248 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.834 11.188 -4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.595 11.382 -4.819 1.00 0.00 H new ATOM 857 N LEU A 56 -11.269 6.965 -5.288 1.00 0.00 N ATOM 858 CA LEU A 56 -11.614 5.560 -5.226 1.00 0.00 C ATOM 859 C LEU A 56 -11.978 5.001 -6.597 1.00 0.00 C ATOM 860 O LEU A 56 -11.452 3.973 -7.024 1.00 0.00 O ATOM 861 CB LEU A 56 -12.802 5.400 -4.285 1.00 0.00 C ATOM 862 CG LEU A 56 -13.329 3.984 -4.157 1.00 0.00 C ATOM 863 CD1 LEU A 56 -14.123 3.837 -2.877 1.00 0.00 C ATOM 864 CD2 LEU A 56 -14.182 3.609 -5.359 1.00 0.00 C ATOM 0 H LEU A 56 -11.993 7.588 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.747 5.006 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.514 5.756 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.611 6.043 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 56 -12.478 3.304 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.497 2.816 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.482 4.058 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -14.963 4.531 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -14.547 2.589 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -15.029 4.292 -5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.582 3.678 -6.266 1.00 0.00 H new ATOM 876 N ASP A 57 -12.899 5.676 -7.265 1.00 0.00 N ATOM 877 CA ASP A 57 -13.370 5.248 -8.578 1.00 0.00 C ATOM 878 C ASP A 57 -12.224 5.088 -9.573 1.00 0.00 C ATOM 879 O ASP A 57 -12.327 4.315 -10.523 1.00 0.00 O ATOM 880 CB ASP A 57 -14.390 6.249 -9.123 1.00 0.00 C ATOM 881 CG ASP A 57 -15.526 5.572 -9.865 1.00 0.00 C ATOM 882 OD1 ASP A 57 -16.025 4.539 -9.370 1.00 0.00 O ATOM 883 OD2 ASP A 57 -15.915 6.073 -10.940 1.00 0.00 O ATOM 0 H ASP A 57 -13.340 6.528 -6.919 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.841 4.273 -8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.796 6.835 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.888 6.947 -9.793 1.00 0.00 H new ATOM 888 N ARG A 58 -11.139 5.824 -9.366 1.00 0.00 N ATOM 889 CA ARG A 58 -9.996 5.752 -10.271 1.00 0.00 C ATOM 890 C ARG A 58 -9.314 4.388 -10.215 1.00 0.00 C ATOM 891 O ARG A 58 -9.116 3.744 -11.246 1.00 0.00 O ATOM 892 CB ARG A 58 -8.984 6.844 -9.931 1.00 0.00 C ATOM 893 CG ARG A 58 -8.582 7.698 -11.126 1.00 0.00 C ATOM 894 CD ARG A 58 -7.072 7.747 -11.297 1.00 0.00 C ATOM 895 NE ARG A 58 -6.463 6.424 -11.188 1.00 0.00 N ATOM 896 CZ ARG A 58 -5.149 6.212 -11.156 1.00 0.00 C ATOM 897 NH1 ARG A 58 -4.304 7.233 -11.228 1.00 0.00 N ATOM 898 NH2 ARG A 58 -4.680 4.977 -11.050 1.00 0.00 N ATOM 0 H ARG A 58 -11.025 6.473 -8.587 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.372 5.901 -11.283 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.404 7.489 -9.159 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.092 6.382 -9.509 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.038 7.296 -12.031 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.967 8.710 -10.997 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.832 8.177 -12.269 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.643 8.406 -10.542 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.081 5.614 -11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.660 8.185 -11.308 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.298 7.065 -11.203 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.326 4.189 -10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.673 4.814 -11.025 1.00 0.00 H new ATOM 911 N MET A 59 -8.941 3.959 -9.015 1.00 0.00 N ATOM 912 CA MET A 59 -8.263 2.677 -8.849 1.00 0.00 C ATOM 913 C MET A 59 -9.222 1.498 -8.977 1.00 0.00 C ATOM 914 O MET A 59 -8.896 0.494 -9.607 1.00 0.00 O ATOM 915 CB MET A 59 -7.531 2.622 -7.507 1.00 0.00 C ATOM 916 CG MET A 59 -6.023 2.797 -7.660 1.00 0.00 C ATOM 917 SD MET A 59 -5.514 4.522 -7.587 1.00 0.00 S ATOM 918 CE MET A 59 -6.462 5.064 -6.174 1.00 0.00 C ATOM 0 H MET A 59 -9.094 4.475 -8.148 1.00 0.00 H new ATOM 0 HA MET A 59 -7.534 2.595 -9.655 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.920 3.401 -6.852 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.736 1.667 -7.023 1.00 0.00 H new ATOM 0 HG2 MET A 59 -5.515 2.239 -6.874 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.706 2.369 -8.611 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.012 5.965 -5.758 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.485 5.279 -6.483 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.469 4.279 -5.418 1.00 0.00 H new ATOM 928 N MET A 60 -10.393 1.613 -8.367 1.00 0.00 N ATOM 929 CA MET A 60 -11.375 0.532 -8.416 1.00 0.00 C ATOM 930 C MET A 60 -11.874 0.287 -9.840 1.00 0.00 C ATOM 931 O MET A 60 -11.957 -0.859 -10.283 1.00 0.00 O ATOM 932 CB MET A 60 -12.545 0.826 -7.477 1.00 0.00 C ATOM 933 CG MET A 60 -12.598 -0.115 -6.282 1.00 0.00 C ATOM 934 SD MET A 60 -12.676 0.757 -4.707 1.00 0.00 S ATOM 935 CE MET A 60 -11.003 1.388 -4.588 1.00 0.00 C ATOM 0 H MET A 60 -10.687 2.433 -7.837 1.00 0.00 H new ATOM 0 HA MET A 60 -10.879 -0.379 -8.081 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.469 1.853 -7.121 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.479 0.750 -8.034 1.00 0.00 H new ATOM 0 HG2 MET A 60 -13.468 -0.765 -6.376 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.718 -0.758 -6.293 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.970 2.196 -3.858 1.00 0.00 H new ATOM 0 HE2 MET A 60 -10.334 0.587 -4.273 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.686 1.765 -5.561 1.00 0.00 H new ATOM 945 N LYS A 61 -12.198 1.357 -10.560 1.00 0.00 N ATOM 946 CA LYS A 61 -12.675 1.223 -11.935 1.00 0.00 C ATOM 947 C LYS A 61 -11.541 0.784 -12.852 1.00 0.00 C ATOM 948 O LYS A 61 -11.664 -0.196 -13.588 1.00 0.00 O ATOM 949 CB LYS A 61 -13.271 2.541 -12.435 1.00 0.00 C ATOM 950 CG LYS A 61 -14.456 3.023 -11.614 1.00 0.00 C ATOM 951 CD LYS A 61 -15.741 2.324 -12.027 1.00 0.00 C ATOM 952 CE LYS A 61 -16.968 3.095 -11.569 1.00 0.00 C ATOM 953 NZ LYS A 61 -18.200 2.654 -12.282 1.00 0.00 N ATOM 0 H LYS A 61 -12.140 2.317 -10.220 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.455 0.462 -11.949 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.496 3.308 -12.424 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.584 2.418 -13.472 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.265 2.841 -10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.571 4.100 -11.736 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.764 2.213 -13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.762 1.320 -11.603 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.102 2.960 -10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.812 4.160 -11.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.014 3.204 -11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -18.083 2.806 -13.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.364 1.643 -12.099 1.00 0.00 H new ATOM 967 N LYS A 62 -10.429 1.511 -12.794 1.00 0.00 N ATOM 968 CA LYS A 62 -9.258 1.200 -13.607 1.00 0.00 C ATOM 969 C LYS A 62 -8.437 0.065 -12.990 1.00 0.00 C ATOM 970 O LYS A 62 -7.346 -0.248 -13.465 1.00 0.00 O ATOM 971 CB LYS A 62 -8.384 2.444 -13.778 1.00 0.00 C ATOM 972 CG LYS A 62 -7.940 2.684 -15.212 1.00 0.00 C ATOM 973 CD LYS A 62 -7.217 1.474 -15.781 1.00 0.00 C ATOM 974 CE LYS A 62 -7.128 1.543 -17.298 1.00 0.00 C ATOM 975 NZ LYS A 62 -6.045 0.669 -17.831 1.00 0.00 N ATOM 0 H LYS A 62 -10.314 2.324 -12.189 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.610 0.872 -14.585 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.935 3.316 -13.426 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.502 2.348 -13.145 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.808 2.914 -15.829 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.283 3.553 -15.250 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.214 1.416 -15.358 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.740 0.564 -15.487 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.082 1.244 -17.732 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.947 2.573 -17.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.017 0.744 -18.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.131 0.970 -17.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.231 -0.318 -17.560 1.00 0.00 H new ATOM 989 N LEU A 63 -8.961 -0.541 -11.922 1.00 0.00 N ATOM 990 CA LEU A 63 -8.271 -1.630 -11.231 1.00 0.00 C ATOM 991 C LEU A 63 -7.686 -2.647 -12.211 1.00 0.00 C ATOM 992 O LEU A 63 -6.703 -3.321 -11.903 1.00 0.00 O ATOM 993 CB LEU A 63 -9.230 -2.324 -10.254 1.00 0.00 C ATOM 994 CG LEU A 63 -10.101 -3.435 -10.852 1.00 0.00 C ATOM 995 CD1 LEU A 63 -10.987 -4.048 -9.779 1.00 0.00 C ATOM 996 CD2 LEU A 63 -10.944 -2.900 -12.001 1.00 0.00 C ATOM 0 H LEU A 63 -9.864 -0.294 -11.517 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.440 -1.196 -10.676 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.644 -2.747 -9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.885 -1.569 -9.819 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.445 -4.212 -11.245 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.599 -4.835 -10.219 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.364 -4.471 -8.991 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.633 -3.278 -9.357 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.554 -3.705 -12.410 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.592 -2.103 -11.636 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.290 -2.508 -12.780 1.00 0.00 H new ATOM 1008 N ASP A 64 -8.289 -2.753 -13.391 1.00 0.00 N ATOM 1009 CA ASP A 64 -7.811 -3.684 -14.406 1.00 0.00 C ATOM 1010 C ASP A 64 -6.486 -3.203 -14.990 1.00 0.00 C ATOM 1011 O ASP A 64 -6.399 -2.874 -16.174 1.00 0.00 O ATOM 1012 CB ASP A 64 -8.851 -3.842 -15.517 1.00 0.00 C ATOM 1013 CG ASP A 64 -9.336 -2.508 -16.050 1.00 0.00 C ATOM 1014 OD1 ASP A 64 -8.697 -1.974 -16.981 1.00 0.00 O ATOM 1015 OD2 ASP A 64 -10.353 -1.997 -15.535 1.00 0.00 O ATOM 0 H ASP A 64 -9.106 -2.208 -13.667 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.652 -4.654 -13.935 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.421 -4.422 -16.334 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.701 -4.409 -15.137 1.00 0.00 H new ATOM 1020 N LEU A 65 -5.457 -3.159 -14.148 1.00 0.00 N ATOM 1021 CA LEU A 65 -4.136 -2.713 -14.574 1.00 0.00 C ATOM 1022 C LEU A 65 -3.192 -3.897 -14.760 1.00 0.00 C ATOM 1023 O LEU A 65 -2.396 -3.926 -15.698 1.00 0.00 O ATOM 1024 CB LEU A 65 -3.552 -1.732 -13.554 1.00 0.00 C ATOM 1025 CG LEU A 65 -3.785 -2.102 -12.085 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -2.515 -1.894 -11.274 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -4.930 -1.284 -11.500 1.00 0.00 C ATOM 0 H LEU A 65 -5.514 -3.427 -13.166 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.244 -2.207 -15.533 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.479 -1.650 -13.726 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.980 -0.746 -13.736 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.057 -3.157 -12.037 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.700 -2.162 -10.234 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.720 -2.523 -11.675 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.214 -0.848 -11.331 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.079 -1.562 -10.457 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.688 -0.223 -11.562 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.843 -1.482 -12.062 1.00 0.00 H new ATOM 1039 N ASN A 66 -3.287 -4.870 -13.861 1.00 0.00 N ATOM 1040 CA ASN A 66 -2.441 -6.057 -13.928 1.00 0.00 C ATOM 1041 C ASN A 66 -3.278 -7.307 -14.173 1.00 0.00 C ATOM 1042 O ASN A 66 -2.890 -8.187 -14.942 1.00 0.00 O ATOM 1043 CB ASN A 66 -1.639 -6.212 -12.635 1.00 0.00 C ATOM 1044 CG ASN A 66 -0.512 -7.218 -12.771 1.00 0.00 C ATOM 1045 OD1 ASN A 66 -0.398 -8.149 -11.974 1.00 0.00 O ATOM 1046 ND2 ASN A 66 0.329 -7.032 -13.782 1.00 0.00 N ATOM 0 H ASN A 66 -3.940 -4.861 -13.078 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.751 -5.934 -14.762 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.226 -5.245 -12.348 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.306 -6.524 -11.832 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.108 -7.675 -13.922 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.196 -6.246 -14.418 1.00 0.00 H new ATOM 1053 N SER A 67 -4.431 -7.379 -13.515 1.00 0.00 N ATOM 1054 CA SER A 67 -5.325 -8.521 -13.661 1.00 0.00 C ATOM 1055 C SER A 67 -6.289 -8.308 -14.824 1.00 0.00 C ATOM 1056 O SER A 67 -6.230 -7.291 -15.514 1.00 0.00 O ATOM 1057 CB SER A 67 -6.110 -8.750 -12.368 1.00 0.00 C ATOM 1058 OG SER A 67 -6.259 -10.133 -12.100 1.00 0.00 O ATOM 0 H SER A 67 -4.768 -6.659 -12.875 1.00 0.00 H new ATOM 0 HA SER A 67 -4.719 -9.403 -13.870 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.595 -8.269 -11.536 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.092 -8.284 -12.448 1.00 0.00 H new ATOM 0 HG SER A 67 -6.762 -10.253 -11.268 1.00 0.00 H new ATOM 1064 N ASP A 68 -7.174 -9.276 -15.036 1.00 0.00 N ATOM 1065 CA ASP A 68 -8.151 -9.195 -16.116 1.00 0.00 C ATOM 1066 C ASP A 68 -9.464 -9.857 -15.712 1.00 0.00 C ATOM 1067 O ASP A 68 -10.152 -10.451 -16.542 1.00 0.00 O ATOM 1068 CB ASP A 68 -7.600 -9.857 -17.380 1.00 0.00 C ATOM 1069 CG ASP A 68 -8.305 -9.381 -18.635 1.00 0.00 C ATOM 1070 OD1 ASP A 68 -8.543 -8.161 -18.756 1.00 0.00 O ATOM 1071 OD2 ASP A 68 -8.621 -10.229 -19.496 1.00 0.00 O ATOM 0 H ASP A 68 -7.235 -10.125 -14.475 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.344 -8.142 -16.320 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.534 -9.645 -17.463 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.705 -10.939 -17.296 1.00 0.00 H new ATOM 1076 N GLY A 69 -9.806 -9.750 -14.432 1.00 0.00 N ATOM 1077 CA GLY A 69 -11.036 -10.343 -13.943 1.00 0.00 C ATOM 1078 C GLY A 69 -11.300 -10.014 -12.486 1.00 0.00 C ATOM 1079 O GLY A 69 -12.101 -9.130 -12.179 1.00 0.00 O ATOM 0 H GLY A 69 -9.254 -9.264 -13.726 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.871 -9.991 -14.549 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.987 -11.425 -14.065 1.00 0.00 H new ATOM 1083 N GLN A 70 -10.631 -10.729 -11.588 1.00 0.00 N ATOM 1084 CA GLN A 70 -10.802 -10.510 -10.158 1.00 0.00 C ATOM 1085 C GLN A 70 -9.861 -9.424 -9.653 1.00 0.00 C ATOM 1086 O GLN A 70 -9.077 -8.862 -10.417 1.00 0.00 O ATOM 1087 CB GLN A 70 -10.557 -11.811 -9.389 1.00 0.00 C ATOM 1088 CG GLN A 70 -11.831 -12.579 -9.083 1.00 0.00 C ATOM 1089 CD GLN A 70 -12.538 -12.054 -7.850 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -13.236 -10.934 -7.999 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -12.459 -12.651 -6.776 1.00 0.00 N flip ATOM 0 H GLN A 70 -9.966 -11.465 -11.826 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.827 -10.181 -9.989 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.888 -12.447 -9.969 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.046 -11.581 -8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.504 -12.518 -9.938 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.592 -13.633 -8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.911 -13.509 -6.708 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.942 -12.288 -5.954 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.941 -9.139 -8.357 1.00 0.00 N ATOM 1101 CA LEU A 71 -9.096 -8.129 -7.748 1.00 0.00 C ATOM 1102 C LEU A 71 -7.642 -8.624 -7.719 1.00 0.00 C ATOM 1103 O LEU A 71 -7.174 -9.192 -8.706 1.00 0.00 O ATOM 1104 CB LEU A 71 -9.639 -7.782 -6.349 1.00 0.00 C ATOM 1105 CG LEU A 71 -10.328 -6.416 -6.225 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -9.310 -5.317 -5.972 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -11.150 -6.105 -7.468 1.00 0.00 C ATOM 0 H LEU A 71 -10.585 -9.596 -7.711 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.109 -7.211 -8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.348 -8.555 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.813 -7.818 -5.639 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.004 -6.460 -5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.822 -4.359 -5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.774 -5.524 -5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.603 -5.279 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.628 -5.132 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.498 -6.089 -8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.914 -6.871 -7.600 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.925 -8.424 -6.614 1.00 0.00 N ATOM 1120 CA ASP A 72 -5.534 -8.875 -6.523 1.00 0.00 C ATOM 1121 C ASP A 72 -4.889 -8.393 -5.224 1.00 0.00 C ATOM 1122 O ASP A 72 -5.382 -7.473 -4.574 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.726 -8.397 -7.742 1.00 0.00 C ATOM 1124 CG ASP A 72 -3.227 -8.566 -7.566 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -2.598 -7.683 -6.948 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -2.685 -9.583 -8.048 1.00 0.00 O ATOM 0 H ASP A 72 -7.277 -7.958 -5.778 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.531 -9.965 -6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.047 -8.952 -8.624 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.948 -7.346 -7.928 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.789 -9.039 -4.851 1.00 0.00 N ATOM 1132 CA PHE A 73 -3.072 -8.707 -3.625 1.00 0.00 C ATOM 1133 C PHE A 73 -2.674 -7.230 -3.567 1.00 0.00 C ATOM 1134 O PHE A 73 -3.070 -6.512 -2.643 1.00 0.00 O ATOM 1135 CB PHE A 73 -1.837 -9.596 -3.477 1.00 0.00 C ATOM 1136 CG PHE A 73 -0.828 -9.425 -4.576 1.00 0.00 C ATOM 1137 CD1 PHE A 73 -0.946 -10.134 -5.761 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.239 -8.556 -4.422 1.00 0.00 C ATOM 1139 CE1 PHE A 73 -0.018 -9.976 -6.773 1.00 0.00 C ATOM 1140 CE2 PHE A 73 1.171 -8.394 -5.430 1.00 0.00 C ATOM 1141 CZ PHE A 73 1.042 -9.106 -6.607 1.00 0.00 C ATOM 0 H PHE A 73 -3.372 -9.801 -5.385 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.751 -8.891 -2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.359 -9.380 -2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.154 -10.639 -3.447 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.772 -10.817 -5.895 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.344 -7.998 -3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.122 -10.532 -7.693 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.998 -7.712 -5.298 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.769 -8.983 -7.396 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.896 -6.761 -4.543 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.487 -5.368 -4.534 1.00 0.00 C ATOM 1153 C GLN A 74 -2.592 -4.490 -5.060 1.00 0.00 C ATOM 1154 O GLN A 74 -2.631 -3.311 -4.745 1.00 0.00 O ATOM 1155 CB GLN A 74 -0.206 -5.115 -5.329 1.00 0.00 C ATOM 1156 CG GLN A 74 0.606 -3.946 -4.771 1.00 0.00 C ATOM 1157 CD GLN A 74 0.575 -2.705 -5.655 1.00 0.00 C ATOM 1158 OE1 GLN A 74 0.068 -1.582 -5.123 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 1.004 -2.749 -6.807 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.547 -7.312 -5.327 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.276 -5.117 -3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.407 -6.016 -5.321 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.461 -4.913 -6.369 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.224 -3.688 -3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.641 -4.263 -4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.382 -3.621 -7.177 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.982 -1.914 -7.392 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.508 -5.056 -5.846 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.612 -4.263 -6.366 1.00 0.00 C ATOM 1170 C GLU A 75 -5.169 -3.415 -5.245 1.00 0.00 C ATOM 1171 O GLU A 75 -5.500 -2.262 -5.438 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.711 -5.141 -6.964 1.00 0.00 C ATOM 1173 CG GLU A 75 -5.908 -4.915 -8.454 1.00 0.00 C ATOM 1174 CD GLU A 75 -6.991 -5.795 -9.047 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -8.172 -5.393 -9.002 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -6.656 -6.884 -9.560 1.00 0.00 O ATOM 0 H GLU A 75 -3.507 -6.036 -6.129 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.238 -3.629 -7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.466 -6.189 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.649 -4.943 -6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.162 -3.869 -8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.968 -5.105 -8.972 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.223 -3.976 -4.050 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.697 -3.215 -2.915 1.00 0.00 C ATOM 1185 C PHE A 76 -4.599 -2.271 -2.464 1.00 0.00 C ATOM 1186 O PHE A 76 -4.803 -1.062 -2.408 1.00 0.00 O ATOM 1187 CB PHE A 76 -6.095 -4.130 -1.762 1.00 0.00 C ATOM 1188 CG PHE A 76 -7.273 -3.632 -0.973 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -7.136 -2.563 -0.102 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -8.515 -4.234 -1.099 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -8.216 -2.105 0.630 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -9.598 -3.780 -0.371 1.00 0.00 C ATOM 1193 CZ PHE A 76 -9.448 -2.714 0.495 1.00 0.00 C ATOM 0 H PHE A 76 -4.950 -4.937 -3.845 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.581 -2.652 -3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.326 -5.119 -2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.243 -4.246 -1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.175 -2.082 0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.638 -5.068 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.096 -1.272 1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.561 -4.258 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.293 -2.358 1.065 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.412 -2.821 -2.185 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.279 -1.990 -1.787 1.00 0.00 C ATOM 1205 C LEU A 77 -2.163 -0.830 -2.777 1.00 0.00 C ATOM 1206 O LEU A 77 -1.811 0.290 -2.417 1.00 0.00 O ATOM 1207 CB LEU A 77 -0.980 -2.816 -1.765 1.00 0.00 C ATOM 1208 CG LEU A 77 -0.219 -2.872 -0.427 1.00 0.00 C ATOM 1209 CD1 LEU A 77 -0.431 -1.615 0.381 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.627 -4.076 0.397 1.00 0.00 C ATOM 0 H LEU A 77 -3.216 -3.821 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.439 -1.604 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.221 -3.837 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.308 -2.413 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 77 0.839 -2.959 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.120 -1.688 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.073 -0.754 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.493 -1.493 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.069 -4.082 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.695 -4.026 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.411 -4.988 -0.160 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.507 -1.131 -4.028 1.00 0.00 N ATOM 1223 CA ASN A 78 -2.508 -0.162 -5.114 1.00 0.00 C ATOM 1224 C ASN A 78 -3.727 0.738 -4.996 1.00 0.00 C ATOM 1225 O ASN A 78 -3.624 1.965 -5.016 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.571 -0.889 -6.464 1.00 0.00 C ATOM 1227 CG ASN A 78 -1.405 -0.576 -7.370 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -0.928 -1.596 -8.070 1.00 0.00 O flip ATOM 1229 ND2 ASN A 78 -0.938 0.561 -7.440 1.00 0.00 N flip ATOM 0 H ASN A 78 -2.796 -2.066 -4.316 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.595 0.431 -5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.606 -1.964 -6.288 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.498 -0.619 -6.971 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.341 1.313 -6.881 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.149 0.751 -8.057 1.00 0.00 H new ATOM 1236 N LEU A 79 -4.890 0.099 -4.890 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.150 0.810 -4.789 1.00 0.00 C ATOM 1238 C LEU A 79 -6.157 1.730 -3.589 1.00 0.00 C ATOM 1239 O LEU A 79 -6.307 2.934 -3.738 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.307 -0.178 -4.691 1.00 0.00 C ATOM 1241 CG LEU A 79 -7.645 -0.924 -5.986 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -8.998 -0.516 -6.509 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -6.582 -0.710 -7.056 1.00 0.00 C ATOM 0 H LEU A 79 -4.979 -0.917 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.270 1.414 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.072 -0.912 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.195 0.360 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.669 -1.987 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.212 -1.061 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.760 -0.746 -5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.002 0.555 -6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.859 -1.255 -7.958 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.504 0.353 -7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.621 -1.074 -6.692 1.00 0.00 H new ATOM 1255 N ILE A 80 -5.970 1.152 -2.405 1.00 0.00 N ATOM 1256 CA ILE A 80 -5.943 1.921 -1.171 1.00 0.00 C ATOM 1257 C ILE A 80 -4.665 2.739 -1.060 1.00 0.00 C ATOM 1258 O ILE A 80 -4.703 3.902 -0.660 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.116 1.031 0.079 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -6.515 1.888 1.277 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -4.849 0.261 0.383 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -5.351 2.623 1.910 1.00 0.00 C ATOM 0 H ILE A 80 -5.835 0.149 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.794 2.601 -1.212 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.906 0.308 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.264 2.614 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.984 1.252 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.002 -0.356 1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.598 -0.376 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.033 0.960 0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.709 3.212 2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.611 1.902 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.895 3.285 1.174 1.00 0.00 H new ATOM 1274 N GLY A 81 -3.532 2.144 -1.436 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.281 2.879 -1.380 1.00 0.00 C ATOM 1276 C GLY A 81 -2.411 4.187 -2.121 1.00 0.00 C ATOM 1277 O GLY A 81 -2.114 5.254 -1.582 1.00 0.00 O ATOM 0 H GLY A 81 -3.460 1.184 -1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.007 3.067 -0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.481 2.283 -1.818 1.00 0.00 H new ATOM 1281 N GLY A 82 -2.900 4.101 -3.352 1.00 0.00 N ATOM 1282 CA GLY A 82 -3.112 5.300 -4.146 1.00 0.00 C ATOM 1283 C GLY A 82 -4.104 6.250 -3.485 1.00 0.00 C ATOM 1284 O GLY A 82 -3.939 7.468 -3.557 1.00 0.00 O ATOM 0 H GLY A 82 -3.153 3.228 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.161 5.812 -4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.479 5.021 -5.134 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.126 5.698 -2.821 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.117 6.528 -2.133 1.00 0.00 C ATOM 1290 C LEU A 83 -5.435 7.294 -1.016 1.00 0.00 C ATOM 1291 O LEU A 83 -5.730 8.463 -0.774 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.259 5.685 -1.560 1.00 0.00 C ATOM 1293 CG LEU A 83 -7.748 4.570 -2.472 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -8.853 3.767 -1.825 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.221 5.128 -3.797 1.00 0.00 C ATOM 0 H LEU A 83 -5.286 4.693 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.547 7.220 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.931 5.247 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.098 6.342 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.904 3.903 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.177 2.980 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.485 3.320 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.695 4.422 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.566 4.313 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.040 5.826 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.398 5.647 -4.288 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.500 6.626 -0.353 1.00 0.00 N ATOM 1308 CA ALA A 84 -3.742 7.241 0.727 1.00 0.00 C ATOM 1309 C ALA A 84 -3.077 8.514 0.238 1.00 0.00 C ATOM 1310 O ALA A 84 -2.944 9.494 0.969 1.00 0.00 O ATOM 1311 CB ALA A 84 -2.668 6.290 1.224 1.00 0.00 C ATOM 0 H ALA A 84 -4.249 5.656 -0.545 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.431 7.472 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.109 6.763 2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.134 5.376 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.989 6.048 0.406 1.00 0.00 H new ATOM 1317 N VAL A 85 -2.653 8.469 -1.013 1.00 0.00 N ATOM 1318 CA VAL A 85 -1.982 9.593 -1.643 1.00 0.00 C ATOM 1319 C VAL A 85 -2.974 10.579 -2.233 1.00 0.00 C ATOM 1320 O VAL A 85 -2.634 11.728 -2.515 1.00 0.00 O ATOM 1321 CB VAL A 85 -0.989 9.141 -2.741 1.00 0.00 C ATOM 1322 CG1 VAL A 85 0.391 9.680 -2.425 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -0.938 7.621 -2.881 1.00 0.00 C ATOM 0 H VAL A 85 -2.763 7.656 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.418 10.088 -0.852 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.338 9.541 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.091 9.362 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.357 10.769 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.719 9.297 -1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.228 7.351 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.622 7.179 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.927 7.246 -3.144 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.197 10.125 -2.419 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.240 10.959 -2.977 1.00 0.00 C ATOM 1335 C ALA A 86 -6.334 11.230 -1.953 1.00 0.00 C ATOM 1336 O ALA A 86 -7.435 11.654 -2.304 1.00 0.00 O ATOM 1337 CB ALA A 86 -5.812 10.274 -4.194 1.00 0.00 C ATOM 0 H ALA A 86 -4.493 9.176 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.814 11.921 -3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.599 10.893 -4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.024 10.126 -4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.226 9.308 -3.907 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.026 10.976 -0.686 1.00 0.00 N ATOM 1344 CA CYS A 87 -6.990 11.186 0.381 1.00 0.00 C ATOM 1345 C CYS A 87 -6.318 11.241 1.750 1.00 0.00 C ATOM 1346 O CYS A 87 -6.674 12.073 2.585 1.00 0.00 O ATOM 1347 CB CYS A 87 -8.037 10.074 0.368 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.338 10.285 1.604 1.00 0.00 S ATOM 0 H CYS A 87 -5.119 10.626 -0.376 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.471 12.148 0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.492 10.028 -0.621 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.541 9.118 0.536 1.00 0.00 H new ATOM 0 HG CYS A 87 -9.553 9.153 2.205 1.00 0.00 H new ATOM 1354 N HIS A 88 -5.362 10.345 1.994 1.00 0.00 N ATOM 1355 CA HIS A 88 -4.682 10.312 3.284 1.00 0.00 C ATOM 1356 C HIS A 88 -3.331 11.023 3.233 1.00 0.00 C ATOM 1357 O HIS A 88 -2.282 10.383 3.160 1.00 0.00 O ATOM 1358 CB HIS A 88 -4.505 8.866 3.747 1.00 0.00 C ATOM 1359 CG HIS A 88 -4.807 8.662 5.199 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -5.798 9.350 5.867 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -4.244 7.836 6.114 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -5.831 8.959 7.129 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -4.900 8.041 7.303 1.00 0.00 N ATOM 0 H HIS A 88 -5.046 9.643 1.325 1.00 0.00 H new ATOM 0 HA HIS A 88 -5.305 10.846 4.001 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.155 8.221 3.155 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.480 8.553 3.550 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.432 7.146 5.941 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.505 9.328 7.888 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.699 7.560 8.180 1.00 0.00 H new ATOM 1372 N GLU A 89 -3.366 12.352 3.288 1.00 0.00 N ATOM 1373 CA GLU A 89 -2.148 13.158 3.265 1.00 0.00 C ATOM 1374 C GLU A 89 -1.269 12.802 2.065 1.00 0.00 C ATOM 1375 O GLU A 89 -1.729 12.167 1.117 1.00 0.00 O ATOM 1376 CB GLU A 89 -1.369 12.960 4.569 1.00 0.00 C ATOM 1377 CG GLU A 89 -2.183 13.270 5.815 1.00 0.00 C ATOM 1378 CD GLU A 89 -2.901 12.051 6.362 1.00 0.00 C ATOM 1379 OE1 GLU A 89 -2.248 10.999 6.518 1.00 0.00 O ATOM 1380 OE2 GLU A 89 -4.116 12.151 6.633 1.00 0.00 O ATOM 0 H GLU A 89 -4.227 12.895 3.349 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.434 14.206 3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.019 11.929 4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.484 13.597 4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.524 13.674 6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.914 14.044 5.583 1.00 0.00 H new ATOM 1387 N SER A 90 -0.001 13.222 2.117 1.00 0.00 N ATOM 1388 CA SER A 90 0.959 12.958 1.044 1.00 0.00 C ATOM 1389 C SER A 90 0.804 13.961 -0.096 1.00 0.00 C ATOM 1390 O SER A 90 1.672 14.806 -0.310 1.00 0.00 O ATOM 1391 CB SER A 90 0.806 11.531 0.510 1.00 0.00 C ATOM 1392 OG SER A 90 0.625 10.608 1.568 1.00 0.00 O ATOM 0 H SER A 90 0.386 13.751 2.899 1.00 0.00 H new ATOM 0 HA SER A 90 1.958 13.068 1.466 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.046 11.483 -0.169 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.690 11.259 -0.067 1.00 0.00 H new ATOM 0 HG SER A 90 0.219 9.787 1.220 1.00 0.00 H new ATOM 1398 N PHE A 91 -0.302 13.862 -0.826 1.00 0.00 N ATOM 1399 CA PHE A 91 -0.558 14.764 -1.945 1.00 0.00 C ATOM 1400 C PHE A 91 -1.739 15.683 -1.649 1.00 0.00 C ATOM 1401 O PHE A 91 -1.733 16.855 -2.023 1.00 0.00 O ATOM 1402 CB PHE A 91 -0.825 13.961 -3.221 1.00 0.00 C ATOM 1403 CG PHE A 91 0.191 14.199 -4.303 1.00 0.00 C ATOM 1404 CD1 PHE A 91 0.342 15.456 -4.864 1.00 0.00 C ATOM 1405 CD2 PHE A 91 0.992 13.164 -4.758 1.00 0.00 C ATOM 1406 CE1 PHE A 91 1.275 15.677 -5.860 1.00 0.00 C ATOM 1407 CE2 PHE A 91 1.926 13.379 -5.753 1.00 0.00 C ATOM 1408 CZ PHE A 91 2.068 14.637 -6.305 1.00 0.00 C ATOM 0 H PHE A 91 -1.033 13.169 -0.665 1.00 0.00 H new ATOM 0 HA PHE A 91 0.328 15.382 -2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -0.841 12.899 -2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.815 14.215 -3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -0.276 16.272 -4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.885 12.178 -4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 91 1.384 16.662 -6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.545 12.564 -6.099 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.797 14.807 -7.083 1.00 0.00 H new ATOM 1418 N VAL A 92 -2.751 15.144 -0.978 1.00 0.00 N ATOM 1419 CA VAL A 92 -3.939 15.917 -0.637 1.00 0.00 C ATOM 1420 C VAL A 92 -3.610 17.042 0.339 1.00 0.00 C ATOM 1421 O VAL A 92 -4.290 18.066 0.373 1.00 0.00 O ATOM 1422 CB VAL A 92 -5.037 15.026 -0.026 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -5.724 14.209 -1.110 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -4.456 14.119 1.050 1.00 0.00 C ATOM 0 H VAL A 92 -2.772 14.175 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.308 16.347 -1.568 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.783 15.669 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.497 13.585 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.178 14.880 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.990 13.575 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.248 13.498 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.688 13.481 0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.016 14.727 1.840 1.00 0.00 H new ATOM 1434 N LYS A 93 -2.562 16.844 1.131 1.00 0.00 N ATOM 1435 CA LYS A 93 -2.144 17.844 2.108 1.00 0.00 C ATOM 1436 C LYS A 93 -1.076 18.763 1.524 1.00 0.00 C ATOM 1437 O LYS A 93 -0.963 19.925 1.915 1.00 0.00 O ATOM 1438 CB LYS A 93 -1.614 17.164 3.372 1.00 0.00 C ATOM 1439 CG LYS A 93 -0.406 16.276 3.124 1.00 0.00 C ATOM 1440 CD LYS A 93 0.882 16.942 3.582 1.00 0.00 C ATOM 1441 CE LYS A 93 2.045 15.963 3.585 1.00 0.00 C ATOM 1442 NZ LYS A 93 3.280 16.569 4.155 1.00 0.00 N ATOM 0 H LYS A 93 -1.987 16.002 1.116 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.014 18.447 2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.349 17.929 4.102 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.410 16.565 3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.535 15.330 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.338 16.042 2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.113 17.781 2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.746 17.350 4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.774 15.079 4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.241 15.629 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.049 15.869 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.554 17.397 3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.101 16.864 5.136 1.00 0.00 H new ATOM 1456 N ALA A 94 -0.293 18.234 0.589 1.00 0.00 N ATOM 1457 CA ALA A 94 0.766 19.008 -0.047 1.00 0.00 C ATOM 1458 C ALA A 94 0.188 20.133 -0.900 1.00 0.00 C ATOM 1459 O ALA A 94 0.810 21.183 -1.064 1.00 0.00 O ATOM 1460 CB ALA A 94 1.647 18.102 -0.894 1.00 0.00 C ATOM 0 H ALA A 94 -0.372 17.273 0.256 1.00 0.00 H new ATOM 0 HA ALA A 94 1.374 19.457 0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.433 18.694 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.097 17.337 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.043 17.625 -1.666 1.00 0.00 H new ATOM 1466 N ALA A 95 -1.004 19.907 -1.443 1.00 0.00 N ATOM 1467 CA ALA A 95 -1.663 20.902 -2.279 1.00 0.00 C ATOM 1468 C ALA A 95 -3.181 20.711 -2.267 1.00 0.00 C ATOM 1469 O ALA A 95 -3.782 20.361 -3.283 1.00 0.00 O ATOM 1470 CB ALA A 95 -1.123 20.832 -3.702 1.00 0.00 C ATOM 0 H ALA A 95 -1.533 19.044 -1.319 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.448 21.890 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.622 21.580 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.050 21.026 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.309 19.840 -4.113 1.00 0.00 H new ATOM 1476 N PRO A 96 -3.822 20.942 -1.108 1.00 0.00 N ATOM 1477 CA PRO A 96 -5.274 20.795 -0.961 1.00 0.00 C ATOM 1478 C PRO A 96 -6.055 21.673 -1.940 1.00 0.00 C ATOM 1479 O PRO A 96 -6.989 21.204 -2.590 1.00 0.00 O ATOM 1480 CB PRO A 96 -5.534 21.232 0.485 1.00 0.00 C ATOM 1481 CG PRO A 96 -4.233 21.031 1.177 1.00 0.00 C ATOM 1482 CD PRO A 96 -3.187 21.362 0.155 1.00 0.00 C ATOM 0 HA PRO A 96 -5.602 19.778 -1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.852 22.273 0.533 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.323 20.636 0.943 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.148 21.677 2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.129 20.005 1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.945 22.425 0.153 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -2.257 20.824 0.339 1.00 0.00 H new ATOM 1490 N PRO A 97 -5.689 22.964 -2.063 1.00 0.00 N ATOM 1491 CA PRO A 97 -6.369 23.887 -2.970 1.00 0.00 C ATOM 1492 C PRO A 97 -5.908 23.726 -4.415 1.00 0.00 C ATOM 1493 O PRO A 97 -6.641 24.047 -5.351 1.00 0.00 O ATOM 1494 CB PRO A 97 -5.968 25.257 -2.429 1.00 0.00 C ATOM 1495 CG PRO A 97 -4.615 25.045 -1.844 1.00 0.00 C ATOM 1496 CD PRO A 97 -4.587 23.626 -1.333 1.00 0.00 C ATOM 0 HA PRO A 97 -7.446 23.719 -2.999 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.945 26.005 -3.221 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.675 25.609 -1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.839 25.203 -2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.426 25.752 -1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.629 23.147 -1.536 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.741 23.586 -0.255 1.00 0.00 H new ATOM 1504 N GLN A 98 -4.688 23.228 -4.588 1.00 0.00 N ATOM 1505 CA GLN A 98 -4.126 23.024 -5.918 1.00 0.00 C ATOM 1506 C GLN A 98 -4.871 21.919 -6.661 1.00 0.00 C ATOM 1507 O GLN A 98 -4.456 20.761 -6.650 1.00 0.00 O ATOM 1508 CB GLN A 98 -2.638 22.679 -5.817 1.00 0.00 C ATOM 1509 CG GLN A 98 -1.770 23.436 -6.808 1.00 0.00 C ATOM 1510 CD GLN A 98 -1.172 24.697 -6.214 1.00 0.00 C ATOM 1511 OE1 GLN A 98 -0.336 24.636 -5.313 1.00 0.00 O ATOM 1512 NE2 GLN A 98 -1.600 25.848 -6.719 1.00 0.00 N ATOM 0 H GLN A 98 -4.069 22.958 -3.823 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.239 23.951 -6.480 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.292 22.893 -4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.510 21.609 -5.978 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.967 22.785 -7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -2.366 23.698 -7.682 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.295 25.850 -7.466 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.234 26.730 -6.360 1.00 0.00 H new ATOM 1521 N LYS A 99 -5.973 22.287 -7.306 1.00 0.00 N ATOM 1522 CA LYS A 99 -6.778 21.328 -8.056 1.00 0.00 C ATOM 1523 C LYS A 99 -7.949 22.022 -8.744 1.00 0.00 C ATOM 1524 O LYS A 99 -8.248 23.182 -8.461 1.00 0.00 O ATOM 1525 CB LYS A 99 -7.296 20.227 -7.129 1.00 0.00 C ATOM 1526 CG LYS A 99 -8.249 20.731 -6.058 1.00 0.00 C ATOM 1527 CD LYS A 99 -9.172 19.626 -5.570 1.00 0.00 C ATOM 1528 CE LYS A 99 -8.583 18.898 -4.373 1.00 0.00 C ATOM 1529 NZ LYS A 99 -7.615 17.844 -4.784 1.00 0.00 N ATOM 0 H LYS A 99 -6.330 23.242 -7.325 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.144 20.879 -8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.803 19.469 -7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.448 19.740 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.678 21.127 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.843 21.554 -6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.139 20.051 -5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.350 18.916 -6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.083 19.615 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.387 18.446 -3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.443 17.200 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.006 17.307 -5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.719 18.288 -5.069 1.00 0.00 H new ATOM 1543 N ARG A 100 -8.606 21.305 -9.649 1.00 0.00 N ATOM 1544 CA ARG A 100 -9.746 21.854 -10.377 1.00 0.00 C ATOM 1545 C ARG A 100 -10.597 20.738 -10.976 1.00 0.00 C ATOM 1546 O ARG A 100 -11.767 20.581 -10.626 1.00 0.00 O ATOM 1547 CB ARG A 100 -9.263 22.796 -11.482 1.00 0.00 C ATOM 1548 CG ARG A 100 -9.965 24.147 -11.478 1.00 0.00 C ATOM 1549 CD ARG A 100 -10.698 24.402 -12.786 1.00 0.00 C ATOM 1550 NE ARG A 100 -11.789 25.360 -12.624 1.00 0.00 N ATOM 1551 CZ ARG A 100 -11.607 26.660 -12.398 1.00 0.00 C ATOM 1552 NH1 ARG A 100 -10.381 27.160 -12.308 1.00 0.00 N ATOM 1553 NH2 ARG A 100 -12.655 27.462 -12.263 1.00 0.00 N ATOM 0 H ARG A 100 -8.370 20.344 -9.896 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.361 22.415 -9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.190 22.953 -11.372 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -9.418 22.318 -12.449 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -10.673 24.187 -10.650 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.233 24.937 -11.310 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.994 24.777 -13.529 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.095 23.462 -13.168 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.746 25.013 -12.688 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.572 26.548 -12.412 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -10.248 28.156 -12.135 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -13.599 27.083 -12.332 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -12.516 28.458 -12.090 1.00 0.00 H new ATOM 1566 N PHE A 101 -10.003 19.966 -11.879 1.00 0.00 N ATOM 1567 CA PHE A 101 -10.707 18.866 -12.527 1.00 0.00 C ATOM 1568 C PHE A 101 -9.725 17.808 -13.021 1.00 0.00 C ATOM 1569 O PHE A 101 -9.878 16.631 -12.631 1.00 0.00 O ATOM 1570 CB PHE A 101 -11.547 19.389 -13.694 1.00 0.00 C ATOM 1571 CG PHE A 101 -12.977 18.929 -13.660 1.00 0.00 C ATOM 1572 CD1 PHE A 101 -13.908 19.580 -12.868 1.00 0.00 C ATOM 1573 CD2 PHE A 101 -13.387 17.845 -14.420 1.00 0.00 C ATOM 1574 CE1 PHE A 101 -15.224 19.159 -12.834 1.00 0.00 C ATOM 1575 CE2 PHE A 101 -14.702 17.420 -14.390 1.00 0.00 C ATOM 1576 CZ PHE A 101 -15.621 18.078 -13.596 1.00 0.00 C ATOM 1577 OXT PHE A 101 -8.813 18.165 -13.795 1.00 0.00 O ATOM 0 H PHE A 101 -9.035 20.082 -12.179 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.368 18.405 -11.793 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.524 20.479 -13.687 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -11.093 19.067 -14.631 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -13.602 20.426 -12.270 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -12.672 17.327 -15.042 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -15.941 19.675 -12.212 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -15.011 16.574 -14.987 1.00 0.00 H new ATOM 0 HZ PHE A 101 -16.649 17.747 -13.571 1.00 0.00 H new TER 1587 PHE A 101 ATOM 1588 N SER B 1 -4.808 8.995 18.374 1.00 0.00 N ATOM 1589 CA SER B 1 -6.131 8.335 18.224 1.00 0.00 C ATOM 1590 C SER B 1 -6.142 7.390 17.027 1.00 0.00 C ATOM 1591 O SER B 1 -5.432 7.608 16.045 1.00 0.00 O ATOM 1592 CB SER B 1 -7.198 9.417 18.053 1.00 0.00 C ATOM 1593 OG SER B 1 -7.549 9.990 19.301 1.00 0.00 O ATOM 0 H1 SER B 1 -4.337 8.637 19.229 1.00 0.00 H new ATOM 0 H2 SER B 1 -4.220 8.787 17.542 1.00 0.00 H new ATOM 0 H3 SER B 1 -4.940 10.023 18.456 1.00 0.00 H new ATOM 0 HA SER B 1 -6.338 7.740 19.114 1.00 0.00 H new ATOM 0 HB2 SER B 1 -6.828 10.194 17.384 1.00 0.00 H new ATOM 0 HB3 SER B 1 -8.084 8.988 17.585 1.00 0.00 H new ATOM 0 HG SER B 1 -8.231 10.680 19.164 1.00 0.00 H new ATOM 1601 N ARG B 2 -6.953 6.341 17.114 1.00 0.00 N ATOM 1602 CA ARG B 2 -7.058 5.362 16.039 1.00 0.00 C ATOM 1603 C ARG B 2 -8.518 5.004 15.768 1.00 0.00 C ATOM 1604 O ARG B 2 -9.063 4.086 16.380 1.00 0.00 O ATOM 1605 CB ARG B 2 -6.269 4.099 16.392 1.00 0.00 C ATOM 1606 CG ARG B 2 -6.648 3.501 17.737 1.00 0.00 C ATOM 1607 CD ARG B 2 -6.800 1.991 17.653 1.00 0.00 C ATOM 1608 NE ARG B 2 -6.580 1.345 18.945 1.00 0.00 N ATOM 1609 CZ ARG B 2 -6.296 0.052 19.089 1.00 0.00 C ATOM 1610 NH1 ARG B 2 -6.197 -0.734 18.025 1.00 0.00 N ATOM 1611 NH2 ARG B 2 -6.111 -0.454 20.300 1.00 0.00 N ATOM 0 H ARG B 2 -7.548 6.147 17.919 1.00 0.00 H new ATOM 0 HA ARG B 2 -6.638 5.805 15.136 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -6.428 3.352 15.614 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -5.205 4.335 16.395 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -5.886 3.750 18.475 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.583 3.943 18.082 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -7.799 1.747 17.291 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.092 1.595 16.925 1.00 0.00 H new ATOM 0 HE ARG B 2 -6.648 1.918 19.786 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -6.339 -0.349 17.091 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -5.979 -1.724 18.141 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -6.186 0.147 21.121 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -5.893 -1.444 20.411 1.00 0.00 H new ATOM 1624 N PRO B 3 -9.176 5.727 14.843 1.00 0.00 N ATOM 1625 CA PRO B 3 -10.580 5.485 14.493 1.00 0.00 C ATOM 1626 C PRO B 3 -10.841 4.050 14.055 1.00 0.00 C ATOM 1627 O PRO B 3 -11.275 3.215 14.849 1.00 0.00 O ATOM 1628 CB PRO B 3 -10.834 6.479 13.346 1.00 0.00 C ATOM 1629 CG PRO B 3 -9.480 6.821 12.840 1.00 0.00 C ATOM 1630 CD PRO B 3 -8.620 6.841 14.059 1.00 0.00 C ATOM 0 HA PRO B 3 -11.245 5.626 15.345 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -11.449 6.033 12.564 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -11.361 7.365 13.699 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -9.128 6.084 12.118 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -9.477 7.788 12.336 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -7.568 6.686 13.819 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -8.689 7.789 14.592 1.00 0.00 H new ATOM 1638 N THR B 4 -10.578 3.774 12.794 1.00 0.00 N ATOM 1639 CA THR B 4 -10.783 2.439 12.237 1.00 0.00 C ATOM 1640 C THR B 4 -9.460 1.755 11.929 1.00 0.00 C ATOM 1641 O THR B 4 -8.477 2.396 11.562 1.00 0.00 O ATOM 1642 CB THR B 4 -11.665 2.494 10.982 1.00 0.00 C ATOM 1643 OG1 THR B 4 -11.472 1.340 10.182 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.416 3.703 10.103 1.00 0.00 C ATOM 0 H THR B 4 -10.219 4.457 12.126 1.00 0.00 H new ATOM 0 HA THR B 4 -11.299 1.847 12.993 1.00 0.00 H new ATOM 0 HB THR B 4 -12.685 2.555 11.363 1.00 0.00 H new ATOM 0 HG1 THR B 4 -11.150 1.607 9.296 1.00 0.00 H new ATOM 0 HG21 THR B 4 -12.079 3.667 9.238 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.611 4.612 10.671 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.379 3.701 9.766 1.00 0.00 H new ATOM 1652 N GLU B 5 -9.457 0.440 12.096 1.00 0.00 N ATOM 1653 CA GLU B 5 -8.278 -0.376 11.853 1.00 0.00 C ATOM 1654 C GLU B 5 -7.593 0.016 10.544 1.00 0.00 C ATOM 1655 O GLU B 5 -6.379 0.219 10.505 1.00 0.00 O ATOM 1656 CB GLU B 5 -8.692 -1.851 11.851 1.00 0.00 C ATOM 1657 CG GLU B 5 -8.721 -2.505 10.475 1.00 0.00 C ATOM 1658 CD GLU B 5 -9.083 -3.976 10.536 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -9.757 -4.382 11.506 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -8.692 -4.723 9.614 1.00 0.00 O ATOM 0 H GLU B 5 -10.272 -0.090 12.404 1.00 0.00 H new ATOM 0 HA GLU B 5 -7.550 -0.209 12.647 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -8.004 -2.408 12.488 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -9.682 -1.937 12.299 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -9.441 -1.983 9.844 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -7.745 -2.394 10.003 1.00 0.00 H new ATOM 1667 N THR B 6 -8.380 0.133 9.480 1.00 0.00 N ATOM 1668 CA THR B 6 -7.850 0.514 8.181 1.00 0.00 C ATOM 1669 C THR B 6 -7.309 1.937 8.227 1.00 0.00 C ATOM 1670 O THR B 6 -6.266 2.228 7.649 1.00 0.00 O ATOM 1671 CB THR B 6 -8.936 0.406 7.114 1.00 0.00 C ATOM 1672 OG1 THR B 6 -9.587 -0.850 7.187 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.402 0.568 5.710 1.00 0.00 C ATOM 0 H THR B 6 -9.387 -0.031 9.494 1.00 0.00 H new ATOM 0 HA THR B 6 -7.036 -0.165 7.927 1.00 0.00 H new ATOM 0 HB THR B 6 -9.631 1.220 7.319 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.144 -0.977 6.391 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.222 0.481 4.997 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.935 1.548 5.609 1.00 0.00 H new ATOM 0 HG23 THR B 6 -7.663 -0.208 5.510 1.00 0.00 H new ATOM 1681 N GLU B 7 -8.021 2.819 8.930 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.607 4.215 9.046 1.00 0.00 C ATOM 1683 C GLU B 7 -6.156 4.304 9.502 1.00 0.00 C ATOM 1684 O GLU B 7 -5.360 5.050 8.930 1.00 0.00 O ATOM 1685 CB GLU B 7 -8.514 4.960 10.030 1.00 0.00 C ATOM 1686 CG GLU B 7 -9.510 5.887 9.351 1.00 0.00 C ATOM 1687 CD GLU B 7 -8.842 7.078 8.693 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -8.330 6.922 7.564 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -8.831 8.166 9.305 1.00 0.00 O ATOM 0 H GLU B 7 -8.883 2.591 9.425 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.694 4.682 8.065 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -9.058 4.233 10.633 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.896 5.542 10.714 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -10.068 5.328 8.600 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -10.232 6.241 10.087 1.00 0.00 H new ATOM 1696 N ARG B 8 -5.810 3.521 10.513 1.00 0.00 N ATOM 1697 CA ARG B 8 -4.446 3.496 11.017 1.00 0.00 C ATOM 1698 C ARG B 8 -3.548 2.752 10.032 1.00 0.00 C ATOM 1699 O ARG B 8 -2.344 3.000 9.960 1.00 0.00 O ATOM 1700 CB ARG B 8 -4.393 2.824 12.391 1.00 0.00 C ATOM 1701 CG ARG B 8 -3.456 3.513 13.368 1.00 0.00 C ATOM 1702 CD ARG B 8 -2.010 3.090 13.152 1.00 0.00 C ATOM 1703 NE ARG B 8 -1.468 2.387 14.312 1.00 0.00 N ATOM 1704 CZ ARG B 8 -0.322 1.710 14.298 1.00 0.00 C ATOM 1705 NH1 ARG B 8 0.404 1.640 13.189 1.00 0.00 N ATOM 1706 NH2 ARG B 8 0.099 1.099 15.397 1.00 0.00 N ATOM 0 H ARG B 8 -6.453 2.896 10.999 1.00 0.00 H new ATOM 0 HA ARG B 8 -4.091 4.521 11.123 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.397 2.804 12.816 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -4.078 1.788 12.268 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -3.540 4.594 13.253 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -3.756 3.277 14.389 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -1.948 2.445 12.275 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -1.402 3.970 12.944 1.00 0.00 H new ATOM 0 HE ARG B 8 -1.998 2.417 15.183 1.00 0.00 H new ATOM 0 HH11 ARG B 8 0.085 2.107 12.340 1.00 0.00 H new ATOM 0 HH12 ARG B 8 1.281 1.119 13.186 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -0.455 1.148 16.252 1.00 0.00 H new ATOM 0 HH22 ARG B 8 0.977 0.580 15.387 1.00 0.00 H new ATOM 1719 N CYS B 9 -4.152 1.839 9.274 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.427 1.052 8.285 1.00 0.00 C ATOM 1721 C CYS B 9 -2.853 1.945 7.188 1.00 0.00 C ATOM 1722 O CYS B 9 -1.660 1.883 6.890 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.349 -0.041 7.705 1.00 0.00 C ATOM 1724 SG CYS B 9 -4.974 0.254 6.030 1.00 0.00 S ATOM 0 H CYS B 9 -5.148 1.627 9.329 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.584 0.563 8.773 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.806 -0.986 7.707 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.201 -0.162 8.374 1.00 0.00 H new ATOM 0 HG CYS B 9 -5.792 1.264 6.044 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.703 2.775 6.586 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.265 3.665 5.523 1.00 0.00 C ATOM 1732 C ILE B 10 -2.108 4.541 5.983 1.00 0.00 C ATOM 1733 O ILE B 10 -1.035 4.523 5.388 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.415 4.567 5.038 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.657 3.730 4.734 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -3.993 5.353 3.811 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.755 3.892 5.749 1.00 0.00 C ATOM 0 H ILE B 10 -4.694 2.847 6.818 1.00 0.00 H new ATOM 0 HA ILE B 10 -2.934 3.034 4.698 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.658 5.273 5.832 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -6.039 4.005 3.751 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.373 2.679 4.683 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.818 5.985 3.482 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.134 5.977 4.056 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.724 4.663 3.012 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.604 3.269 5.469 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.391 3.589 6.731 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -7.067 4.936 5.784 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.325 5.292 7.055 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.287 6.163 7.594 1.00 0.00 C ATOM 1751 C GLU B 11 -0.015 5.373 7.881 1.00 0.00 C ATOM 1752 O GLU B 11 1.087 5.918 7.862 1.00 0.00 O ATOM 1753 CB GLU B 11 -1.778 6.855 8.867 1.00 0.00 C ATOM 1754 CG GLU B 11 -1.893 8.363 8.727 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.643 9.091 10.034 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -2.459 8.934 10.966 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -0.630 9.816 10.125 1.00 0.00 O ATOM 0 H GLU B 11 -3.207 5.316 7.567 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.059 6.924 6.847 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.751 6.448 9.141 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.094 6.624 9.684 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.179 8.710 7.980 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -2.888 8.615 8.359 1.00 0.00 H new ATOM 1764 N SER B 12 -0.185 4.088 8.156 1.00 0.00 N ATOM 1765 CA SER B 12 0.936 3.213 8.461 1.00 0.00 C ATOM 1766 C SER B 12 1.903 3.082 7.279 1.00 0.00 C ATOM 1767 O SER B 12 3.099 3.326 7.424 1.00 0.00 O ATOM 1768 CB SER B 12 0.410 1.836 8.869 1.00 0.00 C ATOM 1769 OG SER B 12 1.032 1.386 10.060 1.00 0.00 O ATOM 0 H SER B 12 -1.095 3.627 8.174 1.00 0.00 H new ATOM 0 HA SER B 12 1.494 3.656 9.285 1.00 0.00 H new ATOM 0 HB2 SER B 12 -0.669 1.884 9.014 1.00 0.00 H new ATOM 0 HB3 SER B 12 0.593 1.121 8.067 1.00 0.00 H new ATOM 0 HG SER B 12 0.367 0.946 10.630 1.00 0.00 H new ATOM 1775 N LEU B 13 1.388 2.676 6.120 1.00 0.00 N ATOM 1776 CA LEU B 13 2.215 2.489 4.933 1.00 0.00 C ATOM 1777 C LEU B 13 2.688 3.815 4.318 1.00 0.00 C ATOM 1778 O LEU B 13 3.760 3.883 3.719 1.00 0.00 O ATOM 1779 CB LEU B 13 1.430 1.689 3.901 1.00 0.00 C ATOM 1780 CG LEU B 13 1.658 0.179 3.939 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.102 -0.154 3.634 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.272 -0.416 5.279 1.00 0.00 C ATOM 0 H LEU B 13 0.399 2.470 5.979 1.00 0.00 H new ATOM 0 HA LEU B 13 3.111 1.949 5.239 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.367 1.884 4.045 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.689 2.055 2.907 1.00 0.00 H new ATOM 0 HG LEU B 13 1.017 -0.259 3.174 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.241 -1.235 3.667 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.359 0.215 2.641 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.748 0.317 4.374 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.449 -1.491 5.264 1.00 0.00 H new ATOM 0 HD22 LEU B 13 1.872 0.040 6.066 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.216 -0.225 5.471 1.00 0.00 H new ATOM 1794 N ILE B 14 1.893 4.863 4.445 1.00 0.00 N ATOM 1795 CA ILE B 14 2.257 6.152 3.886 1.00 0.00 C ATOM 1796 C ILE B 14 3.411 6.782 4.628 1.00 0.00 C ATOM 1797 O ILE B 14 4.254 7.454 4.044 1.00 0.00 O ATOM 1798 CB ILE B 14 1.118 7.158 4.004 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.214 6.550 3.629 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.409 8.364 3.156 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.345 7.236 4.337 1.00 0.00 C ATOM 0 H ILE B 14 0.995 4.847 4.928 1.00 0.00 H new ATOM 0 HA ILE B 14 2.512 5.946 2.846 1.00 0.00 H new ATOM 0 HB ILE B 14 1.048 7.463 5.048 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.359 6.623 2.551 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.215 5.489 3.879 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.590 9.078 3.246 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.335 8.830 3.492 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.513 8.060 2.114 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.289 6.776 4.046 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.211 7.140 5.415 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.357 8.292 4.066 1.00 0.00 H new ATOM 1813 N ALA B 15 3.392 6.604 5.930 1.00 0.00 N ATOM 1814 CA ALA B 15 4.372 7.204 6.803 1.00 0.00 C ATOM 1815 C ALA B 15 5.715 6.513 6.706 1.00 0.00 C ATOM 1816 O ALA B 15 6.758 7.166 6.765 1.00 0.00 O ATOM 1817 CB ALA B 15 3.818 7.215 8.206 1.00 0.00 C ATOM 0 H ALA B 15 2.694 6.038 6.413 1.00 0.00 H new ATOM 0 HA ALA B 15 4.561 8.232 6.493 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.546 7.665 8.881 1.00 0.00 H new ATOM 0 HB2 ALA B 15 2.895 7.795 8.228 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.612 6.193 8.524 1.00 0.00 H new ATOM 1823 N VAL B 16 5.697 5.206 6.499 1.00 0.00 N ATOM 1824 CA VAL B 16 6.927 4.466 6.329 1.00 0.00 C ATOM 1825 C VAL B 16 7.739 5.156 5.243 1.00 0.00 C ATOM 1826 O VAL B 16 8.955 5.317 5.346 1.00 0.00 O ATOM 1827 CB VAL B 16 6.626 3.021 5.911 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.676 2.373 6.899 1.00 0.00 C ATOM 1829 CG2 VAL B 16 6.021 2.999 4.526 1.00 0.00 C ATOM 0 H VAL B 16 4.848 4.643 6.446 1.00 0.00 H new ATOM 0 HA VAL B 16 7.481 4.441 7.267 1.00 0.00 H new ATOM 0 HB VAL B 16 7.560 2.459 5.902 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.472 1.348 6.589 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.129 2.369 7.890 1.00 0.00 H new ATOM 0 HG13 VAL B 16 4.743 2.936 6.929 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.810 1.969 4.237 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.094 3.573 4.525 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.721 3.439 3.816 1.00 0.00 H new ATOM 1839 N PHE B 17 7.019 5.593 4.212 1.00 0.00 N ATOM 1840 CA PHE B 17 7.622 6.307 3.097 1.00 0.00 C ATOM 1841 C PHE B 17 8.017 7.724 3.521 1.00 0.00 C ATOM 1842 O PHE B 17 9.181 8.105 3.426 1.00 0.00 O ATOM 1843 CB PHE B 17 6.633 6.358 1.924 1.00 0.00 C ATOM 1844 CG PHE B 17 6.957 7.396 0.884 1.00 0.00 C ATOM 1845 CD1 PHE B 17 7.956 7.177 -0.050 1.00 0.00 C ATOM 1846 CD2 PHE B 17 6.255 8.591 0.841 1.00 0.00 C ATOM 1847 CE1 PHE B 17 8.250 8.129 -1.007 1.00 0.00 C ATOM 1848 CE2 PHE B 17 6.545 9.547 -0.113 1.00 0.00 C ATOM 1849 CZ PHE B 17 7.544 9.316 -1.039 1.00 0.00 C ATOM 0 H PHE B 17 6.011 5.462 4.129 1.00 0.00 H new ATOM 0 HA PHE B 17 8.523 5.780 2.783 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.604 5.379 1.446 1.00 0.00 H new ATOM 0 HB3 PHE B 17 5.634 6.552 2.315 1.00 0.00 H new ATOM 0 HD1 PHE B 17 8.512 6.251 -0.030 1.00 0.00 H new ATOM 0 HD2 PHE B 17 5.472 8.776 1.562 1.00 0.00 H new ATOM 0 HE1 PHE B 17 9.031 7.945 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE B 17 5.991 10.474 -0.135 1.00 0.00 H new ATOM 0 HZ PHE B 17 7.772 10.062 -1.786 1.00 0.00 H new ATOM 1859 N GLN B 18 7.030 8.493 3.988 1.00 0.00 N ATOM 1860 CA GLN B 18 7.253 9.877 4.419 1.00 0.00 C ATOM 1861 C GLN B 18 8.436 10.002 5.372 1.00 0.00 C ATOM 1862 O GLN B 18 9.289 10.872 5.199 1.00 0.00 O ATOM 1863 CB GLN B 18 6.009 10.431 5.123 1.00 0.00 C ATOM 1864 CG GLN B 18 4.705 10.120 4.415 1.00 0.00 C ATOM 1865 CD GLN B 18 4.346 11.160 3.379 1.00 0.00 C ATOM 1866 OE1 GLN B 18 3.376 11.901 3.529 1.00 0.00 O ATOM 1867 NE2 GLN B 18 5.137 11.215 2.315 1.00 0.00 N ATOM 0 H GLN B 18 6.064 8.179 4.078 1.00 0.00 H new ATOM 0 HA GLN B 18 7.467 10.449 3.516 1.00 0.00 H new ATOM 0 HB2 GLN B 18 5.966 10.026 6.134 1.00 0.00 H new ATOM 0 HB3 GLN B 18 6.110 11.512 5.217 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.780 9.144 3.935 1.00 0.00 H new ATOM 0 HG3 GLN B 18 3.903 10.053 5.150 1.00 0.00 H new ATOM 0 HE21 GLN B 18 5.930 10.579 2.236 1.00 0.00 H new ATOM 0 HE22 GLN B 18 4.952 11.894 1.576 1.00 0.00 H new ATOM 1876 N LYS B 19 8.471 9.152 6.391 1.00 0.00 N ATOM 1877 CA LYS B 19 9.540 9.201 7.382 1.00 0.00 C ATOM 1878 C LYS B 19 10.914 9.287 6.720 1.00 0.00 C ATOM 1879 O LYS B 19 11.709 10.171 7.039 1.00 0.00 O ATOM 1880 CB LYS B 19 9.471 7.967 8.283 1.00 0.00 C ATOM 1881 CG LYS B 19 10.546 7.932 9.356 1.00 0.00 C ATOM 1882 CD LYS B 19 10.186 8.823 10.533 1.00 0.00 C ATOM 1883 CE LYS B 19 10.829 10.196 10.410 1.00 0.00 C ATOM 1884 NZ LYS B 19 10.827 10.928 11.707 1.00 0.00 N ATOM 0 H LYS B 19 7.775 8.424 6.553 1.00 0.00 H new ATOM 0 HA LYS B 19 9.401 10.100 7.982 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.492 7.932 8.761 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.557 7.073 7.666 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.683 6.908 9.702 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.497 8.255 8.931 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.103 8.931 10.591 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.509 8.351 11.461 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.854 10.086 10.056 1.00 0.00 H new ATOM 0 HE3 LYS B 19 10.295 10.781 9.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 11.274 11.859 11.581 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.847 11.055 12.032 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.359 10.382 12.415 1.00 0.00 H new ATOM 1898 N TYR B 20 11.179 8.386 5.782 1.00 0.00 N ATOM 1899 CA TYR B 20 12.445 8.391 5.064 1.00 0.00 C ATOM 1900 C TYR B 20 12.414 9.431 3.955 1.00 0.00 C ATOM 1901 O TYR B 20 13.446 9.954 3.534 1.00 0.00 O ATOM 1902 CB TYR B 20 12.757 7.002 4.509 1.00 0.00 C ATOM 1903 CG TYR B 20 13.752 6.239 5.355 1.00 0.00 C ATOM 1904 CD1 TYR B 20 13.341 5.530 6.476 1.00 0.00 C ATOM 1905 CD2 TYR B 20 15.105 6.235 5.038 1.00 0.00 C ATOM 1906 CE1 TYR B 20 14.246 4.837 7.255 1.00 0.00 C ATOM 1907 CE2 TYR B 20 16.018 5.545 5.813 1.00 0.00 C ATOM 1908 CZ TYR B 20 15.583 4.847 6.920 1.00 0.00 C ATOM 1909 OH TYR B 20 16.490 4.159 7.695 1.00 0.00 O ATOM 0 H TYR B 20 10.536 7.645 5.502 1.00 0.00 H new ATOM 0 HA TYR B 20 13.241 8.656 5.759 1.00 0.00 H new ATOM 0 HB2 TYR B 20 11.833 6.429 4.439 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.149 7.101 3.497 1.00 0.00 H new ATOM 0 HD1 TYR B 20 12.295 5.521 6.743 1.00 0.00 H new ATOM 0 HD2 TYR B 20 15.449 6.780 4.171 1.00 0.00 H new ATOM 0 HE1 TYR B 20 13.908 4.290 8.123 1.00 0.00 H new ATOM 0 HE2 TYR B 20 17.066 5.552 5.553 1.00 0.00 H new ATOM 0 HH TYR B 20 17.241 4.747 7.919 1.00 0.00 H new ATOM 1919 N ALA B 21 11.205 9.703 3.481 1.00 0.00 N ATOM 1920 CA ALA B 21 10.975 10.652 2.407 1.00 0.00 C ATOM 1921 C ALA B 21 10.737 12.065 2.942 1.00 0.00 C ATOM 1922 O ALA B 21 10.173 12.910 2.246 1.00 0.00 O ATOM 1923 CB ALA B 21 9.782 10.178 1.597 1.00 0.00 C ATOM 0 H ALA B 21 10.353 9.267 3.835 1.00 0.00 H new ATOM 0 HA ALA B 21 11.863 10.700 1.777 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.593 10.879 0.784 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.991 9.191 1.184 1.00 0.00 H new ATOM 0 HB3 ALA B 21 8.904 10.123 2.241 1.00 0.00 H new ATOM 1929 N GLY B 22 11.165 12.316 4.176 1.00 0.00 N ATOM 1930 CA GLY B 22 10.983 13.627 4.772 1.00 0.00 C ATOM 1931 C GLY B 22 12.295 14.270 5.177 1.00 0.00 C ATOM 1932 O GLY B 22 12.767 14.078 6.298 1.00 0.00 O ATOM 0 H GLY B 22 11.634 11.635 4.773 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.468 14.276 4.064 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.341 13.538 5.648 1.00 0.00 H new ATOM 1936 N LYS B 23 12.884 15.033 4.264 1.00 0.00 N ATOM 1937 CA LYS B 23 14.149 15.707 4.532 1.00 0.00 C ATOM 1938 C LYS B 23 14.138 17.127 3.975 1.00 0.00 C ATOM 1939 O LYS B 23 15.112 17.579 3.375 1.00 0.00 O ATOM 1940 CB LYS B 23 15.310 14.916 3.924 1.00 0.00 C ATOM 1941 CG LYS B 23 15.716 13.702 4.746 1.00 0.00 C ATOM 1942 CD LYS B 23 17.128 13.843 5.295 1.00 0.00 C ATOM 1943 CE LYS B 23 17.121 14.363 6.723 1.00 0.00 C ATOM 1944 NZ LYS B 23 18.416 14.107 7.413 1.00 0.00 N ATOM 0 H LYS B 23 12.506 15.201 3.332 1.00 0.00 H new ATOM 0 HA LYS B 23 14.282 15.762 5.612 1.00 0.00 H new ATOM 0 HB2 LYS B 23 15.031 14.589 2.922 1.00 0.00 H new ATOM 0 HB3 LYS B 23 16.171 15.576 3.816 1.00 0.00 H new ATOM 0 HG2 LYS B 23 15.016 13.570 5.571 1.00 0.00 H new ATOM 0 HG3 LYS B 23 15.653 12.806 4.128 1.00 0.00 H new ATOM 0 HD2 LYS B 23 17.631 12.877 5.261 1.00 0.00 H new ATOM 0 HD3 LYS B 23 17.699 14.522 4.662 1.00 0.00 H new ATOM 0 HE2 LYS B 23 16.917 15.434 6.719 1.00 0.00 H new ATOM 0 HE3 LYS B 23 16.313 13.887 7.279 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 18.371 14.476 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 18.599 13.084 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 19.184 14.582 6.897 1.00 0.00 H new ATOM 1958 N ASP B 24 13.027 17.827 4.183 1.00 0.00 N ATOM 1959 CA ASP B 24 12.885 19.198 3.704 1.00 0.00 C ATOM 1960 C ASP B 24 12.969 19.256 2.182 1.00 0.00 C ATOM 1961 O ASP B 24 14.012 18.970 1.596 1.00 0.00 O ATOM 1962 CB ASP B 24 13.965 20.089 4.319 1.00 0.00 C ATOM 1963 CG ASP B 24 13.503 20.757 5.600 1.00 0.00 C ATOM 1964 OD1 ASP B 24 12.875 20.072 6.434 1.00 0.00 O ATOM 1965 OD2 ASP B 24 13.771 21.966 5.769 1.00 0.00 O ATOM 0 H ASP B 24 12.212 17.468 4.680 1.00 0.00 H new ATOM 0 HA ASP B 24 11.904 19.562 4.009 1.00 0.00 H new ATOM 0 HB2 ASP B 24 14.853 19.490 4.524 1.00 0.00 H new ATOM 0 HB3 ASP B 24 14.256 20.853 3.598 1.00 0.00 H new ATOM 1970 N GLY B 25 11.862 19.632 1.547 1.00 0.00 N ATOM 1971 CA GLY B 25 11.833 19.723 0.100 1.00 0.00 C ATOM 1972 C GLY B 25 11.183 18.516 -0.548 1.00 0.00 C ATOM 1973 O GLY B 25 11.147 17.434 0.039 1.00 0.00 O ATOM 0 H GLY B 25 10.986 19.875 2.010 1.00 0.00 H new ATOM 0 HA2 GLY B 25 11.292 20.623 -0.193 1.00 0.00 H new ATOM 0 HA3 GLY B 25 12.851 19.827 -0.274 1.00 0.00 H new ATOM 1977 N HIS B 26 10.670 18.701 -1.760 1.00 0.00 N ATOM 1978 CA HIS B 26 10.018 17.620 -2.493 1.00 0.00 C ATOM 1979 C HIS B 26 8.734 17.183 -1.794 1.00 0.00 C ATOM 1980 O HIS B 26 7.633 17.511 -2.238 1.00 0.00 O ATOM 1981 CB HIS B 26 10.968 16.427 -2.642 1.00 0.00 C ATOM 1982 CG HIS B 26 11.195 16.017 -4.063 1.00 0.00 C ATOM 1983 ND1 HIS B 26 12.387 15.488 -4.512 1.00 0.00 N ATOM 1984 CD2 HIS B 26 10.375 16.058 -5.139 1.00 0.00 C ATOM 1985 CE1 HIS B 26 12.291 15.225 -5.803 1.00 0.00 C ATOM 1986 NE2 HIS B 26 11.079 15.560 -6.207 1.00 0.00 N ATOM 0 H HIS B 26 10.693 19.591 -2.257 1.00 0.00 H new ATOM 0 HA HIS B 26 9.759 17.993 -3.484 1.00 0.00 H new ATOM 0 HB2 HIS B 26 11.926 16.677 -2.187 1.00 0.00 H new ATOM 0 HB3 HIS B 26 10.564 15.580 -2.088 1.00 0.00 H new ATOM 0 HD2 HIS B 26 9.356 16.416 -5.154 1.00 0.00 H new ATOM 0 HE1 HIS B 26 13.071 14.807 -6.423 1.00 0.00 H new ATOM 0 HE2 HIS B 26 10.724 15.464 -7.158 1.00 0.00 H new ATOM 1995 N SER B 27 8.881 16.441 -0.702 1.00 0.00 N ATOM 1996 CA SER B 27 7.732 15.958 0.056 1.00 0.00 C ATOM 1997 C SER B 27 6.851 15.049 -0.797 1.00 0.00 C ATOM 1998 O SER B 27 5.682 14.830 -0.480 1.00 0.00 O ATOM 1999 CB SER B 27 6.911 17.137 0.582 1.00 0.00 C ATOM 2000 OG SER B 27 7.312 17.494 1.894 1.00 0.00 O ATOM 0 H SER B 27 9.785 16.161 -0.321 1.00 0.00 H new ATOM 0 HA SER B 27 8.106 15.377 0.899 1.00 0.00 H new ATOM 0 HB2 SER B 27 7.030 17.992 -0.083 1.00 0.00 H new ATOM 0 HB3 SER B 27 5.853 16.877 0.580 1.00 0.00 H new ATOM 0 HG SER B 27 6.773 18.251 2.206 1.00 0.00 H new ATOM 2006 N VAL B 28 7.416 14.523 -1.880 1.00 0.00 N ATOM 2007 CA VAL B 28 6.677 13.638 -2.772 1.00 0.00 C ATOM 2008 C VAL B 28 7.575 12.537 -3.335 1.00 0.00 C ATOM 2009 O VAL B 28 7.235 11.896 -4.330 1.00 0.00 O ATOM 2010 CB VAL B 28 6.050 14.419 -3.942 1.00 0.00 C ATOM 2011 CG1 VAL B 28 4.900 15.285 -3.450 1.00 0.00 C ATOM 2012 CG2 VAL B 28 7.101 15.264 -4.645 1.00 0.00 C ATOM 0 H VAL B 28 8.382 14.694 -2.160 1.00 0.00 H new ATOM 0 HA VAL B 28 5.885 13.184 -2.177 1.00 0.00 H new ATOM 0 HB VAL B 28 5.653 13.703 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL B 28 4.469 15.829 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL B 28 4.136 14.653 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL B 28 5.270 15.994 -2.709 1.00 0.00 H new ATOM 0 HG21 VAL B 28 6.639 15.808 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL B 28 7.531 15.973 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL B 28 7.888 14.617 -5.034 1.00 0.00 H new ATOM 2022 N THR B 29 8.718 12.317 -2.691 1.00 0.00 N ATOM 2023 CA THR B 29 9.658 11.291 -3.126 1.00 0.00 C ATOM 2024 C THR B 29 10.523 10.821 -1.964 1.00 0.00 C ATOM 2025 O THR B 29 10.347 11.255 -0.827 1.00 0.00 O ATOM 2026 CB THR B 29 10.546 11.816 -4.252 1.00 0.00 C ATOM 2027 OG1 THR B 29 11.113 13.067 -3.907 1.00 0.00 O ATOM 2028 CG2 THR B 29 9.810 11.988 -5.561 1.00 0.00 C ATOM 0 H THR B 29 9.015 12.837 -1.865 1.00 0.00 H new ATOM 0 HA THR B 29 9.080 10.445 -3.497 1.00 0.00 H new ATOM 0 HB THR B 29 11.319 11.060 -4.385 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.080 13.043 -4.065 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.498 12.364 -6.319 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.407 11.027 -5.881 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.993 12.698 -5.429 1.00 0.00 H new ATOM 2036 N LEU B 30 11.459 9.929 -2.263 1.00 0.00 N ATOM 2037 CA LEU B 30 12.361 9.390 -1.251 1.00 0.00 C ATOM 2038 C LEU B 30 13.731 9.078 -1.870 1.00 0.00 C ATOM 2039 O LEU B 30 14.360 9.961 -2.449 1.00 0.00 O ATOM 2040 CB LEU B 30 11.730 8.143 -0.611 1.00 0.00 C ATOM 2041 CG LEU B 30 12.156 7.848 0.832 1.00 0.00 C ATOM 2042 CD1 LEU B 30 11.797 6.421 1.211 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.647 8.091 1.020 1.00 0.00 C ATOM 0 H LEU B 30 11.614 9.562 -3.202 1.00 0.00 H new ATOM 0 HA LEU B 30 12.518 10.132 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.646 8.254 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.975 7.278 -1.227 1.00 0.00 H new ATOM 0 HG LEU B 30 11.617 8.529 1.491 1.00 0.00 H new ATOM 0 HD11 LEU B 30 12.106 6.229 2.238 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.719 6.282 1.124 1.00 0.00 H new ATOM 0 HD13 LEU B 30 12.307 5.728 0.542 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.924 7.875 2.052 1.00 0.00 H new ATOM 0 HD22 LEU B 30 14.209 7.441 0.350 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.877 9.132 0.793 1.00 0.00 H new ATOM 2055 N SER B 31 14.193 7.831 -1.761 1.00 0.00 N ATOM 2056 CA SER B 31 15.476 7.432 -2.328 1.00 0.00 C ATOM 2057 C SER B 31 15.663 5.925 -2.184 1.00 0.00 C ATOM 2058 O SER B 31 15.485 5.369 -1.100 1.00 0.00 O ATOM 2059 CB SER B 31 16.632 8.180 -1.653 1.00 0.00 C ATOM 2060 OG SER B 31 16.159 9.219 -0.813 1.00 0.00 O ATOM 0 H SER B 31 13.694 7.081 -1.283 1.00 0.00 H new ATOM 0 HA SER B 31 15.480 7.692 -3.387 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.227 7.479 -1.067 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.290 8.598 -2.415 1.00 0.00 H new ATOM 0 HG SER B 31 15.714 9.902 -1.357 1.00 0.00 H new ATOM 2066 N LYS B 32 16.004 5.265 -3.286 1.00 0.00 N ATOM 2067 CA LYS B 32 16.194 3.816 -3.283 1.00 0.00 C ATOM 2068 C LYS B 32 17.114 3.382 -2.143 1.00 0.00 C ATOM 2069 O LYS B 32 16.867 2.372 -1.484 1.00 0.00 O ATOM 2070 CB LYS B 32 16.770 3.354 -4.623 1.00 0.00 C ATOM 2071 CG LYS B 32 16.632 1.858 -4.861 1.00 0.00 C ATOM 2072 CD LYS B 32 17.947 1.132 -4.623 1.00 0.00 C ATOM 2073 CE LYS B 32 18.849 1.201 -5.844 1.00 0.00 C ATOM 2074 NZ LYS B 32 19.696 -0.017 -5.978 1.00 0.00 N ATOM 0 H LYS B 32 16.155 5.708 -4.192 1.00 0.00 H new ATOM 0 HA LYS B 32 15.220 3.351 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS B 32 16.268 3.890 -5.429 1.00 0.00 H new ATOM 0 HB3 LYS B 32 17.825 3.625 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS B 32 15.866 1.452 -4.200 1.00 0.00 H new ATOM 0 HG3 LYS B 32 16.297 1.680 -5.883 1.00 0.00 H new ATOM 0 HD2 LYS B 32 18.457 1.573 -3.767 1.00 0.00 H new ATOM 0 HD3 LYS B 32 17.749 0.090 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS B 32 18.239 1.320 -6.740 1.00 0.00 H new ATOM 0 HE3 LYS B 32 19.488 2.082 -5.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 19.922 -0.174 -6.981 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 20.577 0.112 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 19.181 -0.840 -5.606 1.00 0.00 H new ATOM 2088 N THR B 33 18.171 4.156 -1.913 1.00 0.00 N ATOM 2089 CA THR B 33 19.118 3.858 -0.852 1.00 0.00 C ATOM 2090 C THR B 33 18.481 4.125 0.509 1.00 0.00 C ATOM 2091 O THR B 33 18.620 3.336 1.437 1.00 0.00 O ATOM 2092 CB THR B 33 20.389 4.693 -1.036 1.00 0.00 C ATOM 2093 OG1 THR B 33 21.334 3.996 -1.828 1.00 0.00 O ATOM 2094 CG2 THR B 33 21.069 5.063 0.264 1.00 0.00 C ATOM 0 H THR B 33 18.390 4.995 -2.450 1.00 0.00 H new ATOM 0 HA THR B 33 19.391 2.804 -0.899 1.00 0.00 H new ATOM 0 HB THR B 33 20.057 5.610 -1.522 1.00 0.00 H new ATOM 0 HG1 THR B 33 22.138 4.545 -1.936 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.961 5.653 0.053 1.00 0.00 H new ATOM 0 HG22 THR B 33 20.384 5.647 0.879 1.00 0.00 H new ATOM 0 HG23 THR B 33 21.352 4.156 0.797 1.00 0.00 H new ATOM 2102 N GLU B 34 17.762 5.236 0.620 1.00 0.00 N ATOM 2103 CA GLU B 34 17.093 5.571 1.870 1.00 0.00 C ATOM 2104 C GLU B 34 16.178 4.421 2.279 1.00 0.00 C ATOM 2105 O GLU B 34 15.958 4.173 3.464 1.00 0.00 O ATOM 2106 CB GLU B 34 16.295 6.865 1.721 1.00 0.00 C ATOM 2107 CG GLU B 34 16.992 8.079 2.314 1.00 0.00 C ATOM 2108 CD GLU B 34 16.018 9.116 2.837 1.00 0.00 C ATOM 2109 OE1 GLU B 34 15.516 9.922 2.026 1.00 0.00 O ATOM 2110 OE2 GLU B 34 15.757 9.122 4.059 1.00 0.00 O ATOM 0 H GLU B 34 17.628 5.913 -0.131 1.00 0.00 H new ATOM 0 HA GLU B 34 17.842 5.725 2.647 1.00 0.00 H new ATOM 0 HB2 GLU B 34 16.105 7.046 0.663 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.325 6.742 2.202 1.00 0.00 H new ATOM 0 HG2 GLU B 34 17.645 7.758 3.126 1.00 0.00 H new ATOM 0 HG3 GLU B 34 17.628 8.534 1.555 1.00 0.00 H new ATOM 2117 N PHE B 35 15.674 3.706 1.278 1.00 0.00 N ATOM 2118 CA PHE B 35 14.810 2.558 1.510 1.00 0.00 C ATOM 2119 C PHE B 35 15.619 1.431 2.141 1.00 0.00 C ATOM 2120 O PHE B 35 15.121 0.680 2.980 1.00 0.00 O ATOM 2121 CB PHE B 35 14.194 2.088 0.188 1.00 0.00 C ATOM 2122 CG PHE B 35 12.798 1.555 0.321 1.00 0.00 C ATOM 2123 CD1 PHE B 35 12.472 0.660 1.327 1.00 0.00 C ATOM 2124 CD2 PHE B 35 11.811 1.946 -0.568 1.00 0.00 C ATOM 2125 CE1 PHE B 35 11.187 0.167 1.446 1.00 0.00 C ATOM 2126 CE2 PHE B 35 10.525 1.455 -0.455 1.00 0.00 C ATOM 2127 CZ PHE B 35 10.212 0.566 0.553 1.00 0.00 C ATOM 0 H PHE B 35 15.852 3.905 0.293 1.00 0.00 H new ATOM 0 HA PHE B 35 14.005 2.845 2.187 1.00 0.00 H new ATOM 0 HB2 PHE B 35 14.188 2.921 -0.515 1.00 0.00 H new ATOM 0 HB3 PHE B 35 14.829 1.313 -0.241 1.00 0.00 H new ATOM 0 HD1 PHE B 35 13.232 0.344 2.027 1.00 0.00 H new ATOM 0 HD2 PHE B 35 12.049 2.642 -1.358 1.00 0.00 H new ATOM 0 HE1 PHE B 35 10.945 -0.529 2.236 1.00 0.00 H new ATOM 0 HE2 PHE B 35 9.764 1.767 -1.155 1.00 0.00 H new ATOM 0 HZ PHE B 35 9.206 0.183 0.643 1.00 0.00 H new ATOM 2137 N LEU B 36 16.882 1.332 1.732 1.00 0.00 N ATOM 2138 CA LEU B 36 17.785 0.311 2.249 1.00 0.00 C ATOM 2139 C LEU B 36 17.830 0.338 3.758 1.00 0.00 C ATOM 2140 O LEU B 36 17.546 -0.653 4.432 1.00 0.00 O ATOM 2141 CB LEU B 36 19.201 0.571 1.743 1.00 0.00 C ATOM 2142 CG LEU B 36 19.596 -0.228 0.527 1.00 0.00 C ATOM 2143 CD1 LEU B 36 19.548 -1.709 0.856 1.00 0.00 C ATOM 2144 CD2 LEU B 36 18.683 0.116 -0.636 1.00 0.00 C ATOM 0 H LEU B 36 17.303 1.951 1.040 1.00 0.00 H new ATOM 0 HA LEU B 36 17.417 -0.657 1.908 1.00 0.00 H new ATOM 0 HB2 LEU B 36 19.300 1.631 1.511 1.00 0.00 H new ATOM 0 HB3 LEU B 36 19.904 0.354 2.547 1.00 0.00 H new ATOM 0 HG LEU B 36 20.616 0.022 0.234 1.00 0.00 H new ATOM 0 HD11 LEU B 36 19.834 -2.286 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU B 36 20.239 -1.923 1.671 1.00 0.00 H new ATOM 0 HD13 LEU B 36 18.537 -1.982 1.157 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.974 -0.465 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.652 -0.119 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.766 1.179 -0.862 1.00 0.00 H new ATOM 2156 N SER B 37 18.224 1.486 4.270 1.00 0.00 N ATOM 2157 CA SER B 37 18.355 1.675 5.698 1.00 0.00 C ATOM 2158 C SER B 37 17.039 1.402 6.418 1.00 0.00 C ATOM 2159 O SER B 37 17.035 1.010 7.584 1.00 0.00 O ATOM 2160 CB SER B 37 18.841 3.091 6.010 1.00 0.00 C ATOM 2161 OG SER B 37 19.475 3.145 7.276 1.00 0.00 O ATOM 0 H SER B 37 18.460 2.307 3.713 1.00 0.00 H new ATOM 0 HA SER B 37 19.094 0.959 6.059 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.536 3.419 5.237 1.00 0.00 H new ATOM 0 HB3 SER B 37 17.997 3.781 5.993 1.00 0.00 H new ATOM 0 HG SER B 37 19.778 4.060 7.451 1.00 0.00 H new ATOM 2167 N PHE B 38 15.921 1.606 5.720 1.00 0.00 N ATOM 2168 CA PHE B 38 14.606 1.372 6.310 1.00 0.00 C ATOM 2169 C PHE B 38 14.494 -0.068 6.795 1.00 0.00 C ATOM 2170 O PHE B 38 14.119 -0.324 7.940 1.00 0.00 O ATOM 2171 CB PHE B 38 13.496 1.673 5.302 1.00 0.00 C ATOM 2172 CG PHE B 38 12.127 1.682 5.919 1.00 0.00 C ATOM 2173 CD1 PHE B 38 11.554 0.508 6.381 1.00 0.00 C ATOM 2174 CD2 PHE B 38 11.419 2.864 6.050 1.00 0.00 C ATOM 2175 CE1 PHE B 38 10.299 0.515 6.957 1.00 0.00 C ATOM 2176 CE2 PHE B 38 10.165 2.878 6.628 1.00 0.00 C ATOM 2177 CZ PHE B 38 9.604 1.701 7.081 1.00 0.00 C ATOM 0 H PHE B 38 15.901 1.930 4.753 1.00 0.00 H new ATOM 0 HA PHE B 38 14.490 2.044 7.161 1.00 0.00 H new ATOM 0 HB2 PHE B 38 13.686 2.642 4.840 1.00 0.00 H new ATOM 0 HB3 PHE B 38 13.524 0.929 4.506 1.00 0.00 H new ATOM 0 HD1 PHE B 38 12.095 -0.422 6.290 1.00 0.00 H new ATOM 0 HD2 PHE B 38 11.853 3.787 5.696 1.00 0.00 H new ATOM 0 HE1 PHE B 38 9.862 -0.407 7.310 1.00 0.00 H new ATOM 0 HE2 PHE B 38 9.624 3.808 6.725 1.00 0.00 H new ATOM 0 HZ PHE B 38 8.623 1.708 7.532 1.00 0.00 H new ATOM 2187 N MET B 39 14.834 -1.006 5.921 1.00 0.00 N ATOM 2188 CA MET B 39 14.792 -2.419 6.263 1.00 0.00 C ATOM 2189 C MET B 39 15.727 -2.704 7.429 1.00 0.00 C ATOM 2190 O MET B 39 15.384 -3.424 8.365 1.00 0.00 O ATOM 2191 CB MET B 39 15.202 -3.261 5.056 1.00 0.00 C ATOM 2192 CG MET B 39 14.027 -3.830 4.288 1.00 0.00 C ATOM 2193 SD MET B 39 13.129 -2.572 3.359 1.00 0.00 S ATOM 2194 CE MET B 39 11.461 -3.209 3.477 1.00 0.00 C ATOM 0 H MET B 39 15.142 -0.812 4.968 1.00 0.00 H new ATOM 0 HA MET B 39 13.774 -2.679 6.552 1.00 0.00 H new ATOM 0 HB2 MET B 39 15.803 -2.649 4.384 1.00 0.00 H new ATOM 0 HB3 MET B 39 15.836 -4.081 5.394 1.00 0.00 H new ATOM 0 HG2 MET B 39 14.384 -4.597 3.601 1.00 0.00 H new ATOM 0 HG3 MET B 39 13.345 -4.318 4.984 1.00 0.00 H new ATOM 0 HE1 MET B 39 10.750 -2.393 3.349 1.00 0.00 H new ATOM 0 HE2 MET B 39 11.301 -3.955 2.699 1.00 0.00 H new ATOM 0 HE3 MET B 39 11.315 -3.668 4.455 1.00 0.00 H new ATOM 2204 N ASN B 40 16.913 -2.126 7.351 1.00 0.00 N ATOM 2205 CA ASN B 40 17.927 -2.297 8.377 1.00 0.00 C ATOM 2206 C ASN B 40 17.479 -1.725 9.724 1.00 0.00 C ATOM 2207 O ASN B 40 18.048 -2.065 10.761 1.00 0.00 O ATOM 2208 CB ASN B 40 19.233 -1.632 7.933 1.00 0.00 C ATOM 2209 CG ASN B 40 19.949 -2.427 6.855 1.00 0.00 C ATOM 2210 OD1 ASN B 40 20.438 -3.528 7.105 1.00 0.00 O ATOM 2211 ND2 ASN B 40 20.015 -1.873 5.646 1.00 0.00 N ATOM 0 H ASN B 40 17.200 -1.527 6.577 1.00 0.00 H new ATOM 0 HA ASN B 40 18.086 -3.367 8.511 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.019 -0.630 7.561 1.00 0.00 H new ATOM 0 HB3 ASN B 40 19.891 -1.518 8.794 1.00 0.00 H new ATOM 0 HD21 ASN B 40 20.484 -2.364 4.885 1.00 0.00 H new ATOM 0 HD22 ASN B 40 19.596 -0.958 5.481 1.00 0.00 H new ATOM 2218 N THR B 41 16.481 -0.839 9.713 1.00 0.00 N ATOM 2219 CA THR B 41 16.011 -0.223 10.954 1.00 0.00 C ATOM 2220 C THR B 41 14.645 -0.735 11.409 1.00 0.00 C ATOM 2221 O THR B 41 14.484 -1.116 12.569 1.00 0.00 O ATOM 2222 CB THR B 41 15.948 1.301 10.814 1.00 0.00 C ATOM 2223 OG1 THR B 41 15.482 1.892 12.014 1.00 0.00 O ATOM 2224 CG2 THR B 41 15.046 1.776 9.696 1.00 0.00 C ATOM 0 H THR B 41 15.990 -0.536 8.872 1.00 0.00 H new ATOM 0 HA THR B 41 16.738 -0.506 11.715 1.00 0.00 H new ATOM 0 HB THR B 41 16.969 1.606 10.583 1.00 0.00 H new ATOM 0 HG1 THR B 41 15.449 2.866 11.908 1.00 0.00 H new ATOM 0 HG21 THR B 41 15.054 2.865 9.660 1.00 0.00 H new ATOM 0 HG22 THR B 41 15.404 1.379 8.746 1.00 0.00 H new ATOM 0 HG23 THR B 41 14.029 1.426 9.875 1.00 0.00 H new ATOM 2232 N GLU B 42 13.649 -0.697 10.526 1.00 0.00 N ATOM 2233 CA GLU B 42 12.301 -1.112 10.909 1.00 0.00 C ATOM 2234 C GLU B 42 11.697 -2.145 9.957 1.00 0.00 C ATOM 2235 O GLU B 42 10.479 -2.214 9.806 1.00 0.00 O ATOM 2236 CB GLU B 42 11.387 0.116 10.985 1.00 0.00 C ATOM 2237 CG GLU B 42 12.083 1.376 11.496 1.00 0.00 C ATOM 2238 CD GLU B 42 11.504 1.870 12.807 1.00 0.00 C ATOM 2239 OE1 GLU B 42 11.092 1.026 13.631 1.00 0.00 O ATOM 2240 OE2 GLU B 42 11.461 3.101 13.010 1.00 0.00 O ATOM 0 H GLU B 42 13.746 -0.389 9.558 1.00 0.00 H new ATOM 0 HA GLU B 42 12.382 -1.591 11.885 1.00 0.00 H new ATOM 0 HB2 GLU B 42 10.979 0.315 9.994 1.00 0.00 H new ATOM 0 HB3 GLU B 42 10.544 -0.111 11.637 1.00 0.00 H new ATOM 0 HG2 GLU B 42 13.146 1.172 11.626 1.00 0.00 H new ATOM 0 HG3 GLU B 42 11.999 2.163 10.746 1.00 0.00 H new ATOM 2247 N LEU B 43 12.543 -2.955 9.335 1.00 0.00 N ATOM 2248 CA LEU B 43 12.077 -3.990 8.420 1.00 0.00 C ATOM 2249 C LEU B 43 13.198 -4.971 8.105 1.00 0.00 C ATOM 2250 O LEU B 43 13.415 -5.341 6.950 1.00 0.00 O ATOM 2251 CB LEU B 43 11.530 -3.364 7.133 1.00 0.00 C ATOM 2252 CG LEU B 43 10.018 -3.128 7.119 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.549 -2.732 5.727 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.275 -4.366 7.603 1.00 0.00 C ATOM 0 H LEU B 43 13.556 -2.916 9.447 1.00 0.00 H new ATOM 0 HA LEU B 43 11.269 -4.538 8.905 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.033 -2.411 6.969 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.789 -4.010 6.294 1.00 0.00 H new ATOM 0 HG LEU B 43 9.795 -2.308 7.801 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.471 -2.569 5.739 1.00 0.00 H new ATOM 0 HD12 LEU B 43 10.052 -1.814 5.421 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.788 -3.529 5.022 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.202 -4.176 7.585 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.506 -5.207 6.950 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.585 -4.601 8.621 1.00 0.00 H new ATOM 2266 N ALA B 44 13.903 -5.397 9.147 1.00 0.00 N ATOM 2267 CA ALA B 44 14.997 -6.345 8.993 1.00 0.00 C ATOM 2268 C ALA B 44 14.456 -7.743 8.738 1.00 0.00 C ATOM 2269 O ALA B 44 15.088 -8.551 8.060 1.00 0.00 O ATOM 2270 CB ALA B 44 15.886 -6.334 10.227 1.00 0.00 C ATOM 0 H ALA B 44 13.735 -5.100 10.108 1.00 0.00 H new ATOM 0 HA ALA B 44 15.597 -6.046 8.133 1.00 0.00 H new ATOM 0 HB1 ALA B 44 16.699 -7.048 10.096 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.299 -5.335 10.369 1.00 0.00 H new ATOM 0 HB3 ALA B 44 15.298 -6.611 11.102 1.00 0.00 H new ATOM 2276 N ALA B 45 13.274 -8.017 9.280 1.00 0.00 N ATOM 2277 CA ALA B 45 12.633 -9.313 9.109 1.00 0.00 C ATOM 2278 C ALA B 45 12.461 -9.643 7.629 1.00 0.00 C ATOM 2279 O ALA B 45 12.467 -10.809 7.237 1.00 0.00 O ATOM 2280 CB ALA B 45 11.288 -9.324 9.820 1.00 0.00 C ATOM 0 H ALA B 45 12.740 -7.355 9.843 1.00 0.00 H new ATOM 0 HA ALA B 45 13.272 -10.078 9.551 1.00 0.00 H new ATOM 0 HB1 ALA B 45 10.814 -10.297 9.688 1.00 0.00 H new ATOM 0 HB2 ALA B 45 11.437 -9.135 10.883 1.00 0.00 H new ATOM 0 HB3 ALA B 45 10.648 -8.549 9.399 1.00 0.00 H new ATOM 2286 N PHE B 46 12.313 -8.603 6.813 1.00 0.00 N ATOM 2287 CA PHE B 46 12.145 -8.776 5.375 1.00 0.00 C ATOM 2288 C PHE B 46 13.494 -8.941 4.677 1.00 0.00 C ATOM 2289 O PHE B 46 13.551 -9.174 3.470 1.00 0.00 O ATOM 2290 CB PHE B 46 11.396 -7.579 4.781 1.00 0.00 C ATOM 2291 CG PHE B 46 9.928 -7.564 5.100 1.00 0.00 C ATOM 2292 CD1 PHE B 46 9.487 -7.645 6.411 1.00 0.00 C ATOM 2293 CD2 PHE B 46 8.987 -7.466 4.086 1.00 0.00 C ATOM 2294 CE1 PHE B 46 8.137 -7.630 6.706 1.00 0.00 C ATOM 2295 CE2 PHE B 46 7.636 -7.450 4.375 1.00 0.00 C ATOM 2296 CZ PHE B 46 7.211 -7.532 5.686 1.00 0.00 C ATOM 0 H PHE B 46 12.306 -7.632 7.124 1.00 0.00 H new ATOM 0 HA PHE B 46 11.562 -9.683 5.213 1.00 0.00 H new ATOM 0 HB2 PHE B 46 11.848 -6.659 5.151 1.00 0.00 H new ATOM 0 HB3 PHE B 46 11.523 -7.583 3.698 1.00 0.00 H new ATOM 0 HD1 PHE B 46 10.207 -7.721 7.212 1.00 0.00 H new ATOM 0 HD2 PHE B 46 9.314 -7.401 3.059 1.00 0.00 H new ATOM 0 HE1 PHE B 46 7.807 -7.695 7.732 1.00 0.00 H new ATOM 0 HE2 PHE B 46 6.913 -7.373 3.576 1.00 0.00 H new ATOM 0 HZ PHE B 46 6.155 -7.520 5.914 1.00 0.00 H new ATOM 2306 N THR B 47 14.578 -8.809 5.439 1.00 0.00 N ATOM 2307 CA THR B 47 15.921 -8.936 4.883 1.00 0.00 C ATOM 2308 C THR B 47 16.761 -9.953 5.659 1.00 0.00 C ATOM 2309 O THR B 47 17.842 -10.340 5.214 1.00 0.00 O ATOM 2310 CB THR B 47 16.616 -7.571 4.882 1.00 0.00 C ATOM 2311 OG1 THR B 47 17.272 -7.338 6.117 1.00 0.00 O ATOM 2312 CG2 THR B 47 15.666 -6.414 4.645 1.00 0.00 C ATOM 0 H THR B 47 14.552 -8.615 6.440 1.00 0.00 H new ATOM 0 HA THR B 47 15.826 -9.298 3.859 1.00 0.00 H new ATOM 0 HB THR B 47 17.328 -7.613 4.058 1.00 0.00 H new ATOM 0 HG1 THR B 47 16.668 -7.561 6.856 1.00 0.00 H new ATOM 0 HG21 THR B 47 16.223 -5.477 4.657 1.00 0.00 H new ATOM 0 HG22 THR B 47 15.180 -6.535 3.677 1.00 0.00 H new ATOM 0 HG23 THR B 47 14.911 -6.397 5.431 1.00 0.00 H new ATOM 2320 N LYS B 48 16.265 -10.384 6.817 1.00 0.00 N ATOM 2321 CA LYS B 48 16.979 -11.353 7.641 1.00 0.00 C ATOM 2322 C LYS B 48 17.208 -12.651 6.875 1.00 0.00 C ATOM 2323 O LYS B 48 16.331 -13.112 6.145 1.00 0.00 O ATOM 2324 CB LYS B 48 16.197 -11.636 8.926 1.00 0.00 C ATOM 2325 CG LYS B 48 16.575 -10.722 10.081 1.00 0.00 C ATOM 2326 CD LYS B 48 15.361 -10.348 10.916 1.00 0.00 C ATOM 2327 CE LYS B 48 15.739 -10.093 12.367 1.00 0.00 C ATOM 2328 NZ LYS B 48 16.701 -8.964 12.501 1.00 0.00 N ATOM 0 H LYS B 48 15.373 -10.077 7.204 1.00 0.00 H new ATOM 0 HA LYS B 48 17.949 -10.929 7.901 1.00 0.00 H new ATOM 0 HB2 LYS B 48 15.131 -11.531 8.724 1.00 0.00 H new ATOM 0 HB3 LYS B 48 16.364 -12.671 9.223 1.00 0.00 H new ATOM 0 HG2 LYS B 48 17.313 -11.217 10.712 1.00 0.00 H new ATOM 0 HG3 LYS B 48 17.043 -9.818 9.692 1.00 0.00 H new ATOM 0 HD2 LYS B 48 14.892 -9.457 10.499 1.00 0.00 H new ATOM 0 HD3 LYS B 48 14.623 -11.149 10.867 1.00 0.00 H new ATOM 0 HE2 LYS B 48 14.840 -9.874 12.943 1.00 0.00 H new ATOM 0 HE3 LYS B 48 16.178 -10.996 12.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 17.584 -9.309 12.930 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 16.904 -8.568 11.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 16.288 -8.226 13.106 1.00 0.00 H new ATOM 2342 N ASN B 49 18.396 -13.232 7.042 1.00 0.00 N ATOM 2343 CA ASN B 49 18.756 -14.478 6.364 1.00 0.00 C ATOM 2344 C ASN B 49 19.153 -14.218 4.912 1.00 0.00 C ATOM 2345 O ASN B 49 20.180 -14.708 4.444 1.00 0.00 O ATOM 2346 CB ASN B 49 17.604 -15.488 6.418 1.00 0.00 C ATOM 2347 CG ASN B 49 16.945 -15.541 7.782 1.00 0.00 C ATOM 2348 OD1 ASN B 49 17.488 -16.117 8.726 1.00 0.00 O ATOM 2349 ND2 ASN B 49 15.766 -14.939 7.894 1.00 0.00 N ATOM 0 H ASN B 49 19.129 -12.858 7.644 1.00 0.00 H new ATOM 0 HA ASN B 49 19.613 -14.900 6.889 1.00 0.00 H new ATOM 0 HB2 ASN B 49 16.859 -15.225 5.667 1.00 0.00 H new ATOM 0 HB3 ASN B 49 17.980 -16.478 6.161 1.00 0.00 H new ATOM 0 HD21 ASN B 49 15.275 -14.942 8.788 1.00 0.00 H new ATOM 0 HD22 ASN B 49 15.352 -14.474 7.086 1.00 0.00 H new ATOM 2356 N GLN B 50 18.335 -13.442 4.204 1.00 0.00 N ATOM 2357 CA GLN B 50 18.602 -13.115 2.808 1.00 0.00 C ATOM 2358 C GLN B 50 18.415 -14.337 1.915 1.00 0.00 C ATOM 2359 O GLN B 50 19.019 -14.436 0.847 1.00 0.00 O ATOM 2360 CB GLN B 50 20.020 -12.557 2.657 1.00 0.00 C ATOM 2361 CG GLN B 50 20.060 -11.138 2.118 1.00 0.00 C ATOM 2362 CD GLN B 50 20.076 -11.088 0.603 1.00 0.00 C ATOM 2363 OE1 GLN B 50 21.130 -11.209 -0.022 1.00 0.00 O ATOM 2364 NE2 GLN B 50 18.905 -10.910 0.004 1.00 0.00 N ATOM 0 H GLN B 50 17.480 -13.028 4.576 1.00 0.00 H new ATOM 0 HA GLN B 50 17.888 -12.354 2.494 1.00 0.00 H new ATOM 0 HB2 GLN B 50 20.517 -12.583 3.627 1.00 0.00 H new ATOM 0 HB3 GLN B 50 20.588 -13.206 1.991 1.00 0.00 H new ATOM 0 HG2 GLN B 50 19.193 -10.589 2.486 1.00 0.00 H new ATOM 0 HG3 GLN B 50 20.945 -10.632 2.504 1.00 0.00 H new ATOM 0 HE21 GLN B 50 18.056 -10.814 0.562 1.00 0.00 H new ATOM 0 HE22 GLN B 50 18.854 -10.869 -1.014 1.00 0.00 H new ATOM 2373 N LYS B 51 17.568 -15.264 2.354 1.00 0.00 N ATOM 2374 CA LYS B 51 17.296 -16.474 1.590 1.00 0.00 C ATOM 2375 C LYS B 51 16.571 -16.133 0.292 1.00 0.00 C ATOM 2376 O LYS B 51 16.747 -16.804 -0.725 1.00 0.00 O ATOM 2377 CB LYS B 51 16.458 -17.450 2.417 1.00 0.00 C ATOM 2378 CG LYS B 51 17.240 -18.136 3.526 1.00 0.00 C ATOM 2379 CD LYS B 51 16.424 -18.240 4.805 1.00 0.00 C ATOM 2380 CE LYS B 51 15.639 -19.541 4.862 1.00 0.00 C ATOM 2381 NZ LYS B 51 15.692 -20.163 6.213 1.00 0.00 N ATOM 0 H LYS B 51 17.059 -15.199 3.235 1.00 0.00 H new ATOM 0 HA LYS B 51 18.247 -16.947 1.346 1.00 0.00 H new ATOM 0 HB2 LYS B 51 15.617 -16.913 2.856 1.00 0.00 H new ATOM 0 HB3 LYS B 51 16.041 -18.209 1.755 1.00 0.00 H new ATOM 0 HG2 LYS B 51 17.536 -19.133 3.200 1.00 0.00 H new ATOM 0 HG3 LYS B 51 18.157 -17.580 3.723 1.00 0.00 H new ATOM 0 HD2 LYS B 51 17.088 -18.176 5.667 1.00 0.00 H new ATOM 0 HD3 LYS B 51 15.737 -17.396 4.869 1.00 0.00 H new ATOM 0 HE2 LYS B 51 14.601 -19.351 4.591 1.00 0.00 H new ATOM 0 HE3 LYS B 51 16.038 -20.238 4.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 15.145 -21.047 6.210 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 16.681 -20.368 6.462 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 15.288 -19.508 6.913 1.00 0.00 H new ATOM 2395 N ASP B 52 15.760 -15.083 0.339 1.00 0.00 N ATOM 2396 CA ASP B 52 15.008 -14.641 -0.829 1.00 0.00 C ATOM 2397 C ASP B 52 15.506 -13.280 -1.306 1.00 0.00 C ATOM 2398 O ASP B 52 14.972 -12.243 -0.914 1.00 0.00 O ATOM 2399 CB ASP B 52 13.516 -14.566 -0.504 1.00 0.00 C ATOM 2400 CG ASP B 52 12.825 -15.908 -0.643 1.00 0.00 C ATOM 2401 OD1 ASP B 52 12.596 -16.342 -1.791 1.00 0.00 O ATOM 2402 OD2 ASP B 52 12.513 -16.526 0.398 1.00 0.00 O ATOM 0 H ASP B 52 15.606 -14.520 1.176 1.00 0.00 H new ATOM 0 HA ASP B 52 15.160 -15.367 -1.627 1.00 0.00 H new ATOM 0 HB2 ASP B 52 13.387 -14.198 0.514 1.00 0.00 H new ATOM 0 HB3 ASP B 52 13.039 -13.844 -1.167 1.00 0.00 H new ATOM 2407 N PRO B 53 16.545 -13.264 -2.160 1.00 0.00 N ATOM 2408 CA PRO B 53 17.120 -12.025 -2.686 1.00 0.00 C ATOM 2409 C PRO B 53 16.358 -11.485 -3.895 1.00 0.00 C ATOM 2410 O PRO B 53 16.959 -10.962 -4.832 1.00 0.00 O ATOM 2411 CB PRO B 53 18.523 -12.460 -3.094 1.00 0.00 C ATOM 2412 CG PRO B 53 18.365 -13.882 -3.514 1.00 0.00 C ATOM 2413 CD PRO B 53 17.250 -14.455 -2.673 1.00 0.00 C ATOM 0 HA PRO B 53 17.090 -11.215 -1.958 1.00 0.00 H new ATOM 0 HB2 PRO B 53 18.908 -11.846 -3.908 1.00 0.00 H new ATOM 0 HB3 PRO B 53 19.224 -12.366 -2.265 1.00 0.00 H new ATOM 0 HG2 PRO B 53 18.124 -13.949 -4.575 1.00 0.00 H new ATOM 0 HG3 PRO B 53 19.291 -14.437 -3.361 1.00 0.00 H new ATOM 0 HD2 PRO B 53 16.588 -15.087 -3.264 1.00 0.00 H new ATOM 0 HD3 PRO B 53 17.638 -15.071 -1.861 1.00 0.00 H new ATOM 2421 N GLY B 54 15.035 -11.614 -3.868 1.00 0.00 N ATOM 2422 CA GLY B 54 14.223 -11.131 -4.970 1.00 0.00 C ATOM 2423 C GLY B 54 12.992 -10.371 -4.510 1.00 0.00 C ATOM 2424 O GLY B 54 12.165 -9.975 -5.328 1.00 0.00 O ATOM 0 H GLY B 54 14.512 -12.043 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY B 54 14.828 -10.482 -5.603 1.00 0.00 H new ATOM 0 HA3 GLY B 54 13.913 -11.977 -5.584 1.00 0.00 H new ATOM 2428 N VAL B 55 12.863 -10.170 -3.200 1.00 0.00 N ATOM 2429 CA VAL B 55 11.720 -9.451 -2.648 1.00 0.00 C ATOM 2430 C VAL B 55 11.948 -7.942 -2.661 1.00 0.00 C ATOM 2431 O VAL B 55 11.223 -7.199 -3.321 1.00 0.00 O ATOM 2432 CB VAL B 55 11.422 -9.904 -1.204 1.00 0.00 C ATOM 2433 CG1 VAL B 55 10.193 -9.195 -0.658 1.00 0.00 C ATOM 2434 CG2 VAL B 55 11.247 -11.414 -1.146 1.00 0.00 C ATOM 0 H VAL B 55 13.534 -10.494 -2.504 1.00 0.00 H new ATOM 0 HA VAL B 55 10.865 -9.685 -3.283 1.00 0.00 H new ATOM 0 HB VAL B 55 12.272 -9.633 -0.577 1.00 0.00 H new ATOM 0 HG11 VAL B 55 10.002 -9.530 0.361 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.363 -8.118 -0.660 1.00 0.00 H new ATOM 0 HG13 VAL B 55 9.331 -9.427 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL B 55 11.037 -11.717 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL B 55 10.417 -11.709 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL B 55 12.161 -11.900 -1.488 1.00 0.00 H new ATOM 2444 N LEU B 56 12.950 -7.498 -1.912 1.00 0.00 N ATOM 2445 CA LEU B 56 13.275 -6.090 -1.809 1.00 0.00 C ATOM 2446 C LEU B 56 13.978 -5.574 -3.059 1.00 0.00 C ATOM 2447 O LEU B 56 13.582 -4.562 -3.638 1.00 0.00 O ATOM 2448 CB LEU B 56 14.184 -5.894 -0.602 1.00 0.00 C ATOM 2449 CG LEU B 56 14.666 -4.473 -0.389 1.00 0.00 C ATOM 2450 CD1 LEU B 56 15.109 -4.281 1.045 1.00 0.00 C ATOM 2451 CD2 LEU B 56 15.800 -4.134 -1.347 1.00 0.00 C ATOM 0 H LEU B 56 13.556 -8.106 -1.362 1.00 0.00 H new ATOM 0 HA LEU B 56 12.347 -5.528 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU B 56 13.652 -6.219 0.292 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.052 -6.544 -0.710 1.00 0.00 H new ATOM 0 HG LEU B 56 13.837 -3.795 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU B 56 15.453 -3.256 1.185 1.00 0.00 H new ATOM 0 HD12 LEU B 56 14.271 -4.477 1.714 1.00 0.00 H new ATOM 0 HD13 LEU B 56 15.922 -4.971 1.270 1.00 0.00 H new ATOM 0 HD21 LEU B 56 16.128 -3.109 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU B 56 16.634 -4.815 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU B 56 15.451 -4.235 -2.375 1.00 0.00 H new ATOM 2463 N ASP B 57 15.036 -6.266 -3.448 1.00 0.00 N ATOM 2464 CA ASP B 57 15.828 -5.878 -4.611 1.00 0.00 C ATOM 2465 C ASP B 57 14.974 -5.756 -5.870 1.00 0.00 C ATOM 2466 O ASP B 57 15.319 -5.013 -6.787 1.00 0.00 O ATOM 2467 CB ASP B 57 16.949 -6.892 -4.845 1.00 0.00 C ATOM 2468 CG ASP B 57 18.239 -6.235 -5.294 1.00 0.00 C ATOM 2469 OD1 ASP B 57 18.601 -5.185 -4.721 1.00 0.00 O ATOM 2470 OD2 ASP B 57 18.889 -6.768 -6.218 1.00 0.00 O ATOM 0 H ASP B 57 15.371 -7.105 -2.974 1.00 0.00 H new ATOM 0 HA ASP B 57 16.255 -4.897 -4.402 1.00 0.00 H new ATOM 0 HB2 ASP B 57 17.129 -7.449 -3.925 1.00 0.00 H new ATOM 0 HB3 ASP B 57 16.631 -7.614 -5.598 1.00 0.00 H new ATOM 2475 N ARG B 58 13.870 -6.489 -5.923 1.00 0.00 N ATOM 2476 CA ARG B 58 12.996 -6.451 -7.091 1.00 0.00 C ATOM 2477 C ARG B 58 12.327 -5.089 -7.255 1.00 0.00 C ATOM 2478 O ARG B 58 12.400 -4.479 -8.321 1.00 0.00 O ATOM 2479 CB ARG B 58 11.925 -7.536 -6.985 1.00 0.00 C ATOM 2480 CG ARG B 58 11.838 -8.429 -8.214 1.00 0.00 C ATOM 2481 CD ARG B 58 10.421 -8.491 -8.764 1.00 0.00 C ATOM 2482 NE ARG B 58 9.810 -7.167 -8.856 1.00 0.00 N ATOM 2483 CZ ARG B 58 8.532 -6.960 -9.166 1.00 0.00 C ATOM 2484 NH1 ARG B 58 7.729 -7.985 -9.419 1.00 0.00 N ATOM 2485 NH2 ARG B 58 8.056 -5.723 -9.223 1.00 0.00 N ATOM 0 H ARG B 58 13.559 -7.113 -5.178 1.00 0.00 H new ATOM 0 HA ARG B 58 13.618 -6.631 -7.968 1.00 0.00 H new ATOM 0 HB2 ARG B 58 12.131 -8.154 -6.111 1.00 0.00 H new ATOM 0 HB3 ARG B 58 10.957 -7.064 -6.820 1.00 0.00 H new ATOM 0 HG2 ARG B 58 12.512 -8.054 -8.985 1.00 0.00 H new ATOM 0 HG3 ARG B 58 12.174 -9.434 -7.958 1.00 0.00 H new ATOM 0 HD2 ARG B 58 10.435 -8.953 -9.751 1.00 0.00 H new ATOM 0 HD3 ARG B 58 9.811 -9.128 -8.123 1.00 0.00 H new ATOM 0 HE ARG B 58 10.397 -6.354 -8.672 1.00 0.00 H new ATOM 0 HH11 ARG B 58 8.090 -8.938 -9.377 1.00 0.00 H new ATOM 0 HH12 ARG B 58 6.751 -7.820 -9.656 1.00 0.00 H new ATOM 0 HH21 ARG B 58 8.669 -4.931 -9.029 1.00 0.00 H new ATOM 0 HH22 ARG B 58 7.077 -5.564 -9.460 1.00 0.00 H new ATOM 2498 N MET B 59 11.662 -4.623 -6.203 1.00 0.00 N ATOM 2499 CA MET B 59 10.970 -3.339 -6.257 1.00 0.00 C ATOM 2500 C MET B 59 11.934 -2.161 -6.175 1.00 0.00 C ATOM 2501 O MET B 59 11.783 -1.179 -6.899 1.00 0.00 O ATOM 2502 CB MET B 59 9.919 -3.244 -5.149 1.00 0.00 C ATOM 2503 CG MET B 59 8.500 -3.430 -5.676 1.00 0.00 C ATOM 2504 SD MET B 59 7.982 -5.154 -5.679 1.00 0.00 S ATOM 2505 CE MET B 59 8.536 -5.647 -4.054 1.00 0.00 C ATOM 0 H MET B 59 11.587 -5.110 -5.310 1.00 0.00 H new ATOM 0 HA MET B 59 10.472 -3.286 -7.225 1.00 0.00 H new ATOM 0 HB2 MET B 59 10.124 -4.000 -4.391 1.00 0.00 H new ATOM 0 HB3 MET B 59 9.998 -2.273 -4.660 1.00 0.00 H new ATOM 0 HG2 MET B 59 7.810 -2.848 -5.064 1.00 0.00 H new ATOM 0 HG3 MET B 59 8.438 -3.034 -6.690 1.00 0.00 H new ATOM 0 HE1 MET B 59 8.056 -6.585 -3.775 1.00 0.00 H new ATOM 0 HE2 MET B 59 9.618 -5.782 -4.064 1.00 0.00 H new ATOM 0 HE3 MET B 59 8.273 -4.875 -3.330 1.00 0.00 H new ATOM 2515 N MET B 60 12.911 -2.251 -5.283 1.00 0.00 N ATOM 2516 CA MET B 60 13.877 -1.168 -5.115 1.00 0.00 C ATOM 2517 C MET B 60 14.724 -0.967 -6.371 1.00 0.00 C ATOM 2518 O MET B 60 14.921 0.164 -6.815 1.00 0.00 O ATOM 2519 CB MET B 60 14.768 -1.427 -3.899 1.00 0.00 C ATOM 2520 CG MET B 60 14.517 -0.448 -2.761 1.00 0.00 C ATOM 2521 SD MET B 60 14.188 -1.269 -1.191 1.00 0.00 S ATOM 2522 CE MET B 60 12.539 -1.903 -1.483 1.00 0.00 C ATOM 0 H MET B 60 13.057 -3.053 -4.669 1.00 0.00 H new ATOM 0 HA MET B 60 13.316 -0.249 -4.948 1.00 0.00 H new ATOM 0 HB2 MET B 60 14.600 -2.443 -3.541 1.00 0.00 H new ATOM 0 HB3 MET B 60 15.813 -1.365 -4.201 1.00 0.00 H new ATOM 0 HG2 MET B 60 15.384 0.203 -2.650 1.00 0.00 H new ATOM 0 HG3 MET B 60 13.671 0.189 -3.017 1.00 0.00 H new ATOM 0 HE1 MET B 60 12.324 -2.700 -0.771 1.00 0.00 H new ATOM 0 HE2 MET B 60 11.813 -1.100 -1.358 1.00 0.00 H new ATOM 0 HE3 MET B 60 12.475 -2.296 -2.498 1.00 0.00 H new ATOM 2532 N LYS B 61 15.216 -2.059 -6.951 1.00 0.00 N ATOM 2533 CA LYS B 61 16.029 -1.967 -8.162 1.00 0.00 C ATOM 2534 C LYS B 61 15.167 -1.562 -9.352 1.00 0.00 C ATOM 2535 O LYS B 61 15.479 -0.606 -10.063 1.00 0.00 O ATOM 2536 CB LYS B 61 16.727 -3.297 -8.450 1.00 0.00 C ATOM 2537 CG LYS B 61 17.661 -3.748 -7.340 1.00 0.00 C ATOM 2538 CD LYS B 61 19.012 -3.057 -7.435 1.00 0.00 C ATOM 2539 CE LYS B 61 20.079 -3.808 -6.654 1.00 0.00 C ATOM 2540 NZ LYS B 61 21.453 -3.385 -7.043 1.00 0.00 N ATOM 0 H LYS B 61 15.069 -3.008 -6.607 1.00 0.00 H new ATOM 0 HA LYS B 61 16.791 -1.204 -8.001 1.00 0.00 H new ATOM 0 HB2 LYS B 61 15.972 -4.066 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS B 61 17.294 -3.207 -9.376 1.00 0.00 H new ATOM 0 HG2 LYS B 61 17.208 -3.533 -6.372 1.00 0.00 H new ATOM 0 HG3 LYS B 61 17.799 -4.828 -7.395 1.00 0.00 H new ATOM 0 HD2 LYS B 61 19.310 -2.982 -8.481 1.00 0.00 H new ATOM 0 HD3 LYS B 61 18.929 -2.039 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS B 61 19.935 -3.638 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS B 61 19.967 -4.879 -6.824 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 22.151 -3.920 -6.488 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 21.600 -3.571 -8.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 21.569 -2.368 -6.857 1.00 0.00 H new ATOM 2554 N LYS B 62 14.074 -2.292 -9.555 1.00 0.00 N ATOM 2555 CA LYS B 62 13.151 -2.011 -10.650 1.00 0.00 C ATOM 2556 C LYS B 62 12.204 -0.860 -10.299 1.00 0.00 C ATOM 2557 O LYS B 62 11.271 -0.568 -11.047 1.00 0.00 O ATOM 2558 CB LYS B 62 12.344 -3.264 -10.998 1.00 0.00 C ATOM 2559 CG LYS B 62 12.280 -3.551 -12.489 1.00 0.00 C ATOM 2560 CD LYS B 62 11.731 -2.364 -13.263 1.00 0.00 C ATOM 2561 CE LYS B 62 12.031 -2.482 -14.748 1.00 0.00 C ATOM 2562 NZ LYS B 62 11.123 -1.631 -15.569 1.00 0.00 N ATOM 0 H LYS B 62 13.805 -3.085 -8.973 1.00 0.00 H new ATOM 0 HA LYS B 62 13.742 -1.712 -11.516 1.00 0.00 H new ATOM 0 HB2 LYS B 62 12.784 -4.122 -10.490 1.00 0.00 H new ATOM 0 HB3 LYS B 62 11.330 -3.151 -10.614 1.00 0.00 H new ATOM 0 HG2 LYS B 62 13.277 -3.796 -12.856 1.00 0.00 H new ATOM 0 HG3 LYS B 62 11.651 -4.424 -12.666 1.00 0.00 H new ATOM 0 HD2 LYS B 62 10.654 -2.297 -13.112 1.00 0.00 H new ATOM 0 HD3 LYS B 62 12.165 -1.443 -12.875 1.00 0.00 H new ATOM 0 HE2 LYS B 62 13.065 -2.193 -14.933 1.00 0.00 H new ATOM 0 HE3 LYS B 62 11.931 -3.523 -15.057 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 11.361 -1.740 -16.576 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 10.137 -1.923 -15.412 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 11.237 -0.635 -15.293 1.00 0.00 H new ATOM 2576 N LEU B 63 12.441 -0.218 -9.153 1.00 0.00 N ATOM 2577 CA LEU B 63 11.603 0.890 -8.696 1.00 0.00 C ATOM 2578 C LEU B 63 11.292 1.872 -9.825 1.00 0.00 C ATOM 2579 O LEU B 63 10.265 2.551 -9.800 1.00 0.00 O ATOM 2580 CB LEU B 63 12.283 1.617 -7.530 1.00 0.00 C ATOM 2581 CG LEU B 63 13.283 2.712 -7.921 1.00 0.00 C ATOM 2582 CD1 LEU B 63 13.869 3.363 -6.679 1.00 0.00 C ATOM 2583 CD2 LEU B 63 14.390 2.145 -8.800 1.00 0.00 C ATOM 0 H LEU B 63 13.210 -0.448 -8.523 1.00 0.00 H new ATOM 0 HA LEU B 63 10.655 0.471 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU B 63 11.510 2.063 -6.904 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.802 0.879 -6.919 1.00 0.00 H new ATOM 0 HG LEU B 63 12.751 3.472 -8.493 1.00 0.00 H new ATOM 0 HD11 LEU B 63 14.577 4.138 -6.974 1.00 0.00 H new ATOM 0 HD12 LEU B 63 13.068 3.809 -6.089 1.00 0.00 H new ATOM 0 HD13 LEU B 63 14.383 2.610 -6.082 1.00 0.00 H new ATOM 0 HD21 LEU B 63 15.087 2.940 -9.065 1.00 0.00 H new ATOM 0 HD22 LEU B 63 14.921 1.363 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU B 63 13.955 1.726 -9.708 1.00 0.00 H new ATOM 2595 N ASP B 64 12.175 1.942 -10.815 1.00 0.00 N ATOM 2596 CA ASP B 64 11.976 2.838 -11.948 1.00 0.00 C ATOM 2597 C ASP B 64 10.841 2.333 -12.835 1.00 0.00 C ATOM 2598 O ASP B 64 11.056 1.966 -13.990 1.00 0.00 O ATOM 2599 CB ASP B 64 13.265 2.964 -12.762 1.00 0.00 C ATOM 2600 CG ASP B 64 13.863 1.616 -13.110 1.00 0.00 C ATOM 2601 OD1 ASP B 64 13.482 1.049 -14.156 1.00 0.00 O ATOM 2602 OD2 ASP B 64 14.715 1.126 -12.337 1.00 0.00 O ATOM 0 H ASP B 64 13.033 1.391 -10.856 1.00 0.00 H new ATOM 0 HA ASP B 64 11.707 3.822 -11.565 1.00 0.00 H new ATOM 0 HB2 ASP B 64 13.059 3.515 -13.680 1.00 0.00 H new ATOM 0 HB3 ASP B 64 13.993 3.546 -12.197 1.00 0.00 H new ATOM 2607 N LEU B 65 9.632 2.312 -12.283 1.00 0.00 N ATOM 2608 CA LEU B 65 8.462 1.847 -13.017 1.00 0.00 C ATOM 2609 C LEU B 65 7.601 3.019 -13.474 1.00 0.00 C ATOM 2610 O LEU B 65 7.069 3.016 -14.585 1.00 0.00 O ATOM 2611 CB LEU B 65 7.633 0.896 -12.147 1.00 0.00 C ATOM 2612 CG LEU B 65 7.484 1.314 -10.679 1.00 0.00 C ATOM 2613 CD1 LEU B 65 6.048 1.127 -10.214 1.00 0.00 C ATOM 2614 CD2 LEU B 65 8.439 0.520 -9.797 1.00 0.00 C ATOM 0 H LEU B 65 9.437 2.612 -11.328 1.00 0.00 H new ATOM 0 HA LEU B 65 8.809 1.312 -13.901 1.00 0.00 H new ATOM 0 HB2 LEU B 65 6.639 0.803 -12.584 1.00 0.00 H new ATOM 0 HB3 LEU B 65 8.090 -0.093 -12.182 1.00 0.00 H new ATOM 0 HG LEU B 65 7.738 2.371 -10.595 1.00 0.00 H new ATOM 0 HD11 LEU B 65 5.961 1.429 -9.170 1.00 0.00 H new ATOM 0 HD12 LEU B 65 5.385 1.740 -10.825 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.767 0.079 -10.313 1.00 0.00 H new ATOM 0 HD21 LEU B 65 8.319 0.830 -8.759 1.00 0.00 H new ATOM 0 HD22 LEU B 65 8.217 -0.543 -9.886 1.00 0.00 H new ATOM 0 HD23 LEU B 65 9.465 0.704 -10.114 1.00 0.00 H new ATOM 2626 N ASN B 66 7.468 4.022 -12.613 1.00 0.00 N ATOM 2627 CA ASN B 66 6.672 5.203 -12.931 1.00 0.00 C ATOM 2628 C ASN B 66 7.549 6.448 -12.995 1.00 0.00 C ATOM 2629 O ASN B 66 7.373 7.301 -13.865 1.00 0.00 O ATOM 2630 CB ASN B 66 5.567 5.395 -11.891 1.00 0.00 C ATOM 2631 CG ASN B 66 4.516 6.391 -12.341 1.00 0.00 C ATOM 2632 OD1 ASN B 66 4.206 7.348 -11.632 1.00 0.00 O ATOM 2633 ND2 ASN B 66 3.960 6.170 -13.527 1.00 0.00 N ATOM 0 H ASN B 66 7.901 4.041 -11.690 1.00 0.00 H new ATOM 0 HA ASN B 66 6.217 5.051 -13.910 1.00 0.00 H new ATOM 0 HB2 ASN B 66 5.091 4.435 -11.689 1.00 0.00 H new ATOM 0 HB3 ASN B 66 6.009 5.735 -10.954 1.00 0.00 H new ATOM 0 HD21 ASN B 66 3.246 6.806 -13.882 1.00 0.00 H new ATOM 0 HD22 ASN B 66 4.247 5.364 -14.082 1.00 0.00 H new ATOM 2640 N SER B 67 8.495 6.546 -12.066 1.00 0.00 N ATOM 2641 CA SER B 67 9.402 7.686 -12.017 1.00 0.00 C ATOM 2642 C SER B 67 10.629 7.441 -12.889 1.00 0.00 C ATOM 2643 O SER B 67 10.745 6.401 -13.537 1.00 0.00 O ATOM 2644 CB SER B 67 9.832 7.960 -10.575 1.00 0.00 C ATOM 2645 OG SER B 67 9.913 9.352 -10.322 1.00 0.00 O ATOM 0 H SER B 67 8.653 5.850 -11.338 1.00 0.00 H new ATOM 0 HA SER B 67 8.873 8.558 -12.402 1.00 0.00 H new ATOM 0 HB2 SER B 67 9.121 7.503 -9.887 1.00 0.00 H new ATOM 0 HB3 SER B 67 10.800 7.496 -10.387 1.00 0.00 H new ATOM 0 HG SER B 67 10.188 9.500 -9.393 1.00 0.00 H new ATOM 2651 N ASP B 68 11.544 8.405 -12.899 1.00 0.00 N ATOM 2652 CA ASP B 68 12.763 8.292 -13.691 1.00 0.00 C ATOM 2653 C ASP B 68 13.933 8.972 -12.987 1.00 0.00 C ATOM 2654 O ASP B 68 14.812 9.541 -13.633 1.00 0.00 O ATOM 2655 CB ASP B 68 12.556 8.912 -15.074 1.00 0.00 C ATOM 2656 CG ASP B 68 13.556 8.398 -16.092 1.00 0.00 C ATOM 2657 OD1 ASP B 68 13.810 7.176 -16.110 1.00 0.00 O ATOM 2658 OD2 ASP B 68 14.084 9.220 -16.870 1.00 0.00 O ATOM 0 H ASP B 68 11.464 9.272 -12.368 1.00 0.00 H new ATOM 0 HA ASP B 68 12.996 7.233 -13.806 1.00 0.00 H new ATOM 0 HB2 ASP B 68 11.545 8.695 -15.419 1.00 0.00 H new ATOM 0 HB3 ASP B 68 12.641 9.996 -15.000 1.00 0.00 H new ATOM 2663 N GLY B 69 13.936 8.909 -11.659 1.00 0.00 N ATOM 2664 CA GLY B 69 15.003 9.522 -10.892 1.00 0.00 C ATOM 2665 C GLY B 69 14.887 9.241 -9.407 1.00 0.00 C ATOM 2666 O GLY B 69 15.578 8.370 -8.877 1.00 0.00 O ATOM 0 H GLY B 69 13.219 8.445 -11.102 1.00 0.00 H new ATOM 0 HA2 GLY B 69 15.963 9.155 -11.254 1.00 0.00 H new ATOM 0 HA3 GLY B 69 14.991 10.599 -11.056 1.00 0.00 H new ATOM 2670 N GLN B 70 14.014 9.982 -8.732 1.00 0.00 N ATOM 2671 CA GLN B 70 13.813 9.810 -7.300 1.00 0.00 C ATOM 2672 C GLN B 70 12.770 8.737 -7.016 1.00 0.00 C ATOM 2673 O GLN B 70 12.205 8.146 -7.936 1.00 0.00 O ATOM 2674 CB GLN B 70 13.386 11.133 -6.661 1.00 0.00 C ATOM 2675 CG GLN B 70 14.544 11.917 -6.065 1.00 0.00 C ATOM 2676 CD GLN B 70 14.909 11.435 -4.677 1.00 0.00 C ATOM 2677 OE1 GLN B 70 15.618 10.312 -4.606 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 14.563 12.066 -3.678 1.00 0.00 N flip ATOM 0 H GLN B 70 13.435 10.707 -9.155 1.00 0.00 H new ATOM 0 HA GLN B 70 14.760 9.491 -6.865 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.890 11.747 -7.412 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.653 10.931 -5.880 1.00 0.00 H new ATOM 0 HG2 GLN B 70 15.413 11.830 -6.718 1.00 0.00 H new ATOM 0 HG3 GLN B 70 14.281 12.974 -6.023 1.00 0.00 H new ATOM 0 HE21 GLN B 70 14.019 12.923 -3.779 1.00 0.00 H new ATOM 0 HE22 GLN B 70 14.820 11.732 -2.749 1.00 0.00 H new ATOM 2687 N LEU B 71 12.516 8.493 -5.734 1.00 0.00 N ATOM 2688 CA LEU B 71 11.539 7.500 -5.328 1.00 0.00 C ATOM 2689 C LEU B 71 10.128 7.990 -5.688 1.00 0.00 C ATOM 2690 O LEU B 71 9.930 8.523 -6.778 1.00 0.00 O ATOM 2691 CB LEU B 71 11.706 7.201 -3.827 1.00 0.00 C ATOM 2692 CG LEU B 71 12.335 5.842 -3.488 1.00 0.00 C ATOM 2693 CD1 LEU B 71 11.281 4.748 -3.467 1.00 0.00 C ATOM 2694 CD2 LEU B 71 13.446 5.495 -4.470 1.00 0.00 C ATOM 0 H LEU B 71 12.976 8.973 -4.960 1.00 0.00 H new ATOM 0 HA LEU B 71 11.697 6.563 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU B 71 12.319 7.986 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.726 7.256 -3.352 1.00 0.00 H new ATOM 0 HG LEU B 71 12.772 5.915 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.751 3.795 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.528 4.983 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.807 4.680 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.875 4.528 -4.207 1.00 0.00 H new ATOM 0 HD22 LEU B 71 13.038 5.449 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU B 71 14.222 6.260 -4.427 1.00 0.00 H new ATOM 2706 N ASP B 72 9.152 7.823 -4.796 1.00 0.00 N ATOM 2707 CA ASP B 72 7.787 8.271 -5.076 1.00 0.00 C ATOM 2708 C ASP B 72 6.829 7.829 -3.971 1.00 0.00 C ATOM 2709 O ASP B 72 7.137 6.932 -3.186 1.00 0.00 O ATOM 2710 CB ASP B 72 7.313 7.749 -6.445 1.00 0.00 C ATOM 2711 CG ASP B 72 5.820 7.918 -6.663 1.00 0.00 C ATOM 2712 OD1 ASP B 72 5.051 7.053 -6.196 1.00 0.00 O ATOM 2713 OD2 ASP B 72 5.422 8.916 -7.300 1.00 0.00 O ATOM 0 H ASP B 72 9.278 7.386 -3.883 1.00 0.00 H new ATOM 0 HA ASP B 72 7.790 9.361 -5.106 1.00 0.00 H new ATOM 0 HB2 ASP B 72 7.851 8.275 -7.234 1.00 0.00 H new ATOM 0 HB3 ASP B 72 7.570 6.693 -6.533 1.00 0.00 H new ATOM 2718 N PHE B 73 5.673 8.482 -3.911 1.00 0.00 N ATOM 2719 CA PHE B 73 4.666 8.184 -2.898 1.00 0.00 C ATOM 2720 C PHE B 73 4.260 6.710 -2.896 1.00 0.00 C ATOM 2721 O PHE B 73 4.405 6.023 -1.878 1.00 0.00 O ATOM 2722 CB PHE B 73 3.438 9.074 -3.099 1.00 0.00 C ATOM 2723 CG PHE B 73 2.742 8.864 -4.413 1.00 0.00 C ATOM 2724 CD1 PHE B 73 3.161 9.534 -5.551 1.00 0.00 C ATOM 2725 CD2 PHE B 73 1.667 7.995 -4.508 1.00 0.00 C ATOM 2726 CE1 PHE B 73 2.522 9.340 -6.760 1.00 0.00 C ATOM 2727 CE2 PHE B 73 1.022 7.797 -5.715 1.00 0.00 C ATOM 2728 CZ PHE B 73 1.451 8.471 -6.842 1.00 0.00 C ATOM 0 H PHE B 73 5.409 9.226 -4.557 1.00 0.00 H new ATOM 0 HA PHE B 73 5.112 8.394 -1.926 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.731 8.888 -2.291 1.00 0.00 H new ATOM 0 HB3 PHE B 73 3.742 10.118 -3.023 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.997 10.216 -5.492 1.00 0.00 H new ATOM 0 HD2 PHE B 73 1.329 7.466 -3.629 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.859 9.867 -7.640 1.00 0.00 H new ATOM 0 HE2 PHE B 73 0.185 7.117 -5.776 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.950 8.319 -7.786 1.00 0.00 H new ATOM 2738 N GLN B 74 3.754 6.207 -4.022 1.00 0.00 N ATOM 2739 CA GLN B 74 3.351 4.812 -4.073 1.00 0.00 C ATOM 2740 C GLN B 74 4.550 3.922 -4.272 1.00 0.00 C ATOM 2741 O GLN B 74 4.503 2.754 -3.920 1.00 0.00 O ATOM 2742 CB GLN B 74 2.314 4.529 -5.160 1.00 0.00 C ATOM 2743 CG GLN B 74 1.382 3.375 -4.790 1.00 0.00 C ATOM 2744 CD GLN B 74 1.633 2.106 -5.596 1.00 0.00 C ATOM 2745 OE1 GLN B 74 1.981 1.003 -4.917 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 1.512 2.111 -6.821 1.00 0.00 N flip ATOM 0 H GLN B 74 3.618 6.732 -4.886 1.00 0.00 H new ATOM 0 HA GLN B 74 2.882 4.593 -3.114 1.00 0.00 H new ATOM 0 HB2 GLN B 74 1.723 5.427 -5.337 1.00 0.00 H new ATOM 0 HB3 GLN B 74 2.825 4.295 -6.094 1.00 0.00 H new ATOM 0 HG2 GLN B 74 1.498 3.151 -3.730 1.00 0.00 H new ATOM 0 HG3 GLN B 74 0.349 3.691 -4.938 1.00 0.00 H new ATOM 0 HE21 GLN B 74 1.246 2.969 -7.304 1.00 0.00 H new ATOM 0 HE22 GLN B 74 1.678 1.257 -7.353 1.00 0.00 H new ATOM 2755 N GLU B 75 5.639 4.466 -4.816 1.00 0.00 N ATOM 2756 CA GLU B 75 6.835 3.663 -5.013 1.00 0.00 C ATOM 2757 C GLU B 75 7.085 2.853 -3.759 1.00 0.00 C ATOM 2758 O GLU B 75 7.448 1.696 -3.824 1.00 0.00 O ATOM 2759 CB GLU B 75 8.054 4.525 -5.338 1.00 0.00 C ATOM 2760 CG GLU B 75 8.623 4.252 -6.720 1.00 0.00 C ATOM 2761 CD GLU B 75 9.825 5.117 -7.045 1.00 0.00 C ATOM 2762 OE1 GLU B 75 10.954 4.721 -6.688 1.00 0.00 O ATOM 2763 OE2 GLU B 75 9.637 6.187 -7.662 1.00 0.00 O ATOM 0 H GLU B 75 5.714 5.437 -5.120 1.00 0.00 H new ATOM 0 HA GLU B 75 6.676 3.003 -5.866 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.778 5.577 -5.266 1.00 0.00 H new ATOM 0 HB3 GLU B 75 8.828 4.347 -4.591 1.00 0.00 H new ATOM 0 HG2 GLU B 75 8.908 3.202 -6.789 1.00 0.00 H new ATOM 0 HG3 GLU B 75 7.847 4.422 -7.467 1.00 0.00 H new ATOM 2770 N PHE B 76 6.835 3.453 -2.609 1.00 0.00 N ATOM 2771 CA PHE B 76 7.000 2.730 -1.366 1.00 0.00 C ATOM 2772 C PHE B 76 5.820 1.796 -1.180 1.00 0.00 C ATOM 2773 O PHE B 76 5.998 0.591 -1.034 1.00 0.00 O ATOM 2774 CB PHE B 76 7.096 3.684 -0.180 1.00 0.00 C ATOM 2775 CG PHE B 76 8.031 3.216 0.899 1.00 0.00 C ATOM 2776 CD1 PHE B 76 7.672 2.175 1.740 1.00 0.00 C ATOM 2777 CD2 PHE B 76 9.266 3.819 1.074 1.00 0.00 C ATOM 2778 CE1 PHE B 76 8.528 1.745 2.737 1.00 0.00 C ATOM 2779 CE2 PHE B 76 10.126 3.393 2.069 1.00 0.00 C ATOM 2780 CZ PHE B 76 9.756 2.355 2.902 1.00 0.00 C ATOM 0 H PHE B 76 6.523 4.419 -2.512 1.00 0.00 H new ATOM 0 HA PHE B 76 7.928 2.160 -1.412 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.426 4.660 -0.536 1.00 0.00 H new ATOM 0 HB3 PHE B 76 6.102 3.820 0.247 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.713 1.694 1.615 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.560 4.631 0.426 1.00 0.00 H new ATOM 0 HE1 PHE B 76 8.237 0.933 3.386 1.00 0.00 H new ATOM 0 HE2 PHE B 76 11.086 3.871 2.195 1.00 0.00 H new ATOM 0 HZ PHE B 76 10.426 2.021 3.681 1.00 0.00 H new ATOM 2790 N LEU B 77 4.603 2.350 -1.231 1.00 0.00 N ATOM 2791 CA LEU B 77 3.403 1.528 -1.108 1.00 0.00 C ATOM 2792 C LEU B 77 3.537 0.336 -2.057 1.00 0.00 C ATOM 2793 O LEU B 77 3.101 -0.774 -1.762 1.00 0.00 O ATOM 2794 CB LEU B 77 2.144 2.350 -1.444 1.00 0.00 C ATOM 2795 CG LEU B 77 1.068 2.444 -0.348 1.00 0.00 C ATOM 2796 CD1 LEU B 77 1.062 1.215 0.529 1.00 0.00 C ATOM 2797 CD2 LEU B 77 1.257 3.676 0.514 1.00 0.00 C ATOM 0 H LEU B 77 4.428 3.347 -1.355 1.00 0.00 H new ATOM 0 HA LEU B 77 3.300 1.175 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.457 3.362 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.686 1.922 -2.335 1.00 0.00 H new ATOM 0 HG LEU B 77 0.108 2.517 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.290 1.316 1.292 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.857 0.334 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU B 77 2.034 1.106 1.009 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.479 3.709 1.277 1.00 0.00 H new ATOM 0 HD22 LEU B 77 2.235 3.638 0.994 1.00 0.00 H new ATOM 0 HD23 LEU B 77 1.193 4.569 -0.108 1.00 0.00 H new ATOM 2809 N ASN B 78 4.191 0.598 -3.188 1.00 0.00 N ATOM 2810 CA ASN B 78 4.464 -0.406 -4.206 1.00 0.00 C ATOM 2811 C ASN B 78 5.609 -1.296 -3.752 1.00 0.00 C ATOM 2812 O ASN B 78 5.509 -2.523 -3.759 1.00 0.00 O ATOM 2813 CB ASN B 78 4.873 0.278 -5.517 1.00 0.00 C ATOM 2814 CG ASN B 78 3.974 -0.068 -6.681 1.00 0.00 C ATOM 2815 OD1 ASN B 78 3.696 0.927 -7.512 1.00 0.00 O flip ATOM 2816 ND2 ASN B 78 3.536 -1.209 -6.831 1.00 0.00 N flip ATOM 0 H ASN B 78 4.548 1.524 -3.422 1.00 0.00 H new ATOM 0 HA ASN B 78 3.564 -1.001 -4.361 1.00 0.00 H new ATOM 0 HB2 ASN B 78 4.867 1.358 -5.372 1.00 0.00 H new ATOM 0 HB3 ASN B 78 5.897 -0.005 -5.762 1.00 0.00 H new ATOM 0 HD21 ASN B 78 3.779 -1.941 -6.163 1.00 0.00 H new ATOM 0 HD22 ASN B 78 2.930 -1.423 -7.623 1.00 0.00 H new ATOM 2823 N LEU B 79 6.709 -0.648 -3.374 1.00 0.00 N ATOM 2824 CA LEU B 79 7.899 -1.351 -2.933 1.00 0.00 C ATOM 2825 C LEU B 79 7.597 -2.232 -1.741 1.00 0.00 C ATOM 2826 O LEU B 79 7.774 -3.439 -1.808 1.00 0.00 O ATOM 2827 CB LEU B 79 8.997 -0.357 -2.575 1.00 0.00 C ATOM 2828 CG LEU B 79 9.656 0.349 -3.764 1.00 0.00 C ATOM 2829 CD1 LEU B 79 11.098 -0.069 -3.910 1.00 0.00 C ATOM 2830 CD2 LEU B 79 8.901 0.096 -5.062 1.00 0.00 C ATOM 0 H LEU B 79 6.795 0.368 -3.367 1.00 0.00 H new ATOM 0 HA LEU B 79 8.240 -1.983 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.577 0.399 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.769 -0.881 -2.012 1.00 0.00 H new ATOM 0 HG LEU B 79 9.621 1.419 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.542 0.447 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU B 79 11.645 0.189 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU B 79 11.150 -1.146 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU B 79 9.401 0.614 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU B 79 8.881 -0.974 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU B 79 7.880 0.467 -4.967 1.00 0.00 H new ATOM 2842 N ILE B 80 7.116 -1.618 -0.664 1.00 0.00 N ATOM 2843 CA ILE B 80 6.772 -2.346 0.547 1.00 0.00 C ATOM 2844 C ILE B 80 5.505 -3.165 0.354 1.00 0.00 C ATOM 2845 O ILE B 80 5.434 -4.315 0.789 1.00 0.00 O ATOM 2846 CB ILE B 80 6.625 -1.415 1.770 1.00 0.00 C ATOM 2847 CG1 ILE B 80 6.701 -2.232 3.058 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.325 -0.641 1.716 1.00 0.00 C ATOM 2849 CD1 ILE B 80 5.411 -2.950 3.396 1.00 0.00 C ATOM 0 H ILE B 80 6.956 -0.612 -0.608 1.00 0.00 H new ATOM 0 HA ILE B 80 7.602 -3.024 0.748 1.00 0.00 H new ATOM 0 HB ILE B 80 7.444 -0.696 1.752 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.502 -2.965 2.967 1.00 0.00 H new ATOM 0 HG13 ILE B 80 6.966 -1.571 3.883 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.250 0.006 2.590 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.301 -0.033 0.812 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.487 -1.338 1.707 1.00 0.00 H new ATOM 0 HD11 ILE B 80 5.538 -3.510 4.323 1.00 0.00 H new ATOM 0 HD12 ILE B 80 4.610 -2.221 3.520 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.155 -3.637 2.589 1.00 0.00 H new ATOM 2861 N GLY B 81 4.507 -2.588 -0.316 1.00 0.00 N ATOM 2862 CA GLY B 81 3.281 -3.325 -0.557 1.00 0.00 C ATOM 2863 C GLY B 81 3.589 -4.657 -1.197 1.00 0.00 C ATOM 2864 O GLY B 81 3.160 -5.707 -0.720 1.00 0.00 O ATOM 0 H GLY B 81 4.526 -1.639 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY B 81 2.750 -3.479 0.383 1.00 0.00 H new ATOM 0 HA3 GLY B 81 2.622 -2.746 -1.204 1.00 0.00 H new ATOM 2868 N GLY B 82 4.377 -4.607 -2.265 1.00 0.00 N ATOM 2869 CA GLY B 82 4.779 -5.831 -2.940 1.00 0.00 C ATOM 2870 C GLY B 82 5.565 -6.754 -2.019 1.00 0.00 C ATOM 2871 O GLY B 82 5.419 -7.975 -2.091 1.00 0.00 O ATOM 0 H GLY B 82 4.744 -3.748 -2.675 1.00 0.00 H new ATOM 0 HA2 GLY B 82 3.894 -6.351 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.386 -5.583 -3.810 1.00 0.00 H new ATOM 2875 N LEU B 83 6.387 -6.177 -1.134 1.00 0.00 N ATOM 2876 CA LEU B 83 7.165 -6.982 -0.189 1.00 0.00 C ATOM 2877 C LEU B 83 6.219 -7.714 0.740 1.00 0.00 C ATOM 2878 O LEU B 83 6.437 -8.873 1.087 1.00 0.00 O ATOM 2879 CB LEU B 83 8.127 -6.115 0.629 1.00 0.00 C ATOM 2880 CG LEU B 83 8.839 -5.028 -0.165 1.00 0.00 C ATOM 2881 CD1 LEU B 83 9.745 -4.199 0.717 1.00 0.00 C ATOM 2882 CD2 LEU B 83 9.630 -5.626 -1.307 1.00 0.00 C ATOM 0 H LEU B 83 6.529 -5.170 -1.054 1.00 0.00 H new ATOM 0 HA LEU B 83 7.761 -7.696 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.571 -5.647 1.441 1.00 0.00 H new ATOM 0 HB3 LEU B 83 8.876 -6.761 1.087 1.00 0.00 H new ATOM 0 HG LEU B 83 8.072 -4.371 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.236 -3.433 0.116 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.154 -3.723 1.500 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.498 -4.842 1.172 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.130 -4.830 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.375 -6.316 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU B 83 8.956 -6.163 -1.974 1.00 0.00 H new ATOM 2894 N ALA B 84 5.148 -7.027 1.122 1.00 0.00 N ATOM 2895 CA ALA B 84 4.139 -7.611 1.993 1.00 0.00 C ATOM 2896 C ALA B 84 3.614 -8.901 1.391 1.00 0.00 C ATOM 2897 O ALA B 84 3.295 -9.858 2.095 1.00 0.00 O ATOM 2898 CB ALA B 84 2.976 -6.650 2.168 1.00 0.00 C ATOM 0 H ALA B 84 4.958 -6.065 0.841 1.00 0.00 H new ATOM 0 HA ALA B 84 4.599 -7.813 2.960 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.228 -7.099 2.822 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.335 -5.721 2.611 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.529 -6.439 1.197 1.00 0.00 H new ATOM 2904 N VAL B 85 3.523 -8.899 0.073 1.00 0.00 N ATOM 2905 CA VAL B 85 3.031 -10.046 -0.672 1.00 0.00 C ATOM 2906 C VAL B 85 4.136 -11.046 -0.957 1.00 0.00 C ATOM 2907 O VAL B 85 3.874 -12.205 -1.279 1.00 0.00 O ATOM 2908 CB VAL B 85 2.352 -9.633 -2.000 1.00 0.00 C ATOM 2909 CG1 VAL B 85 0.935 -10.168 -2.029 1.00 0.00 C ATOM 2910 CG2 VAL B 85 2.345 -8.118 -2.198 1.00 0.00 C ATOM 0 H VAL B 85 3.787 -8.105 -0.510 1.00 0.00 H new ATOM 0 HA VAL B 85 2.283 -10.519 -0.036 1.00 0.00 H new ATOM 0 HB VAL B 85 2.930 -10.062 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL B 85 0.456 -9.878 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL B 85 0.955 -11.255 -1.954 1.00 0.00 H new ATOM 0 HG13 VAL B 85 0.373 -9.756 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL B 85 1.858 -7.877 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL B 85 1.801 -7.647 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL B 85 3.370 -7.748 -2.213 1.00 0.00 H new ATOM 2920 N ALA B 86 5.368 -10.593 -0.840 1.00 0.00 N ATOM 2921 CA ALA B 86 6.516 -11.440 -1.087 1.00 0.00 C ATOM 2922 C ALA B 86 7.310 -11.674 0.190 1.00 0.00 C ATOM 2923 O ALA B 86 8.463 -12.104 0.146 1.00 0.00 O ATOM 2924 CB ALA B 86 7.382 -10.792 -2.138 1.00 0.00 C ATOM 0 H ALA B 86 5.600 -9.636 -0.573 1.00 0.00 H new ATOM 0 HA ALA B 86 6.174 -12.413 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.250 -11.421 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA B 86 6.809 -10.670 -3.057 1.00 0.00 H new ATOM 0 HB3 ALA B 86 7.713 -9.815 -1.785 1.00 0.00 H new ATOM 2930 N CYS B 87 6.691 -11.379 1.329 1.00 0.00 N ATOM 2931 CA CYS B 87 7.350 -11.552 2.612 1.00 0.00 C ATOM 2932 C CYS B 87 6.352 -11.564 3.766 1.00 0.00 C ATOM 2933 O CYS B 87 6.479 -12.367 4.690 1.00 0.00 O ATOM 2934 CB CYS B 87 8.371 -10.437 2.831 1.00 0.00 C ATOM 2935 SG CYS B 87 9.313 -10.602 4.363 1.00 0.00 S ATOM 0 H CYS B 87 5.738 -11.021 1.386 1.00 0.00 H new ATOM 0 HA CYS B 87 7.855 -12.518 2.593 1.00 0.00 H new ATOM 0 HB2 CYS B 87 9.064 -10.421 1.989 1.00 0.00 H new ATOM 0 HB3 CYS B 87 7.853 -9.478 2.836 1.00 0.00 H new ATOM 0 HG CYS B 87 9.408 -9.441 4.941 1.00 0.00 H new ATOM 2941 N HIS B 88 5.369 -10.666 3.728 1.00 0.00 N ATOM 2942 CA HIS B 88 4.382 -10.595 4.801 1.00 0.00 C ATOM 2943 C HIS B 88 3.086 -11.312 4.430 1.00 0.00 C ATOM 2944 O HIS B 88 2.093 -10.679 4.073 1.00 0.00 O ATOM 2945 CB HIS B 88 4.099 -9.134 5.157 1.00 0.00 C ATOM 2946 CG HIS B 88 4.022 -8.883 6.631 1.00 0.00 C ATOM 2947 ND1 HIS B 88 4.807 -9.546 7.551 1.00 0.00 N ATOM 2948 CD2 HIS B 88 3.248 -8.031 7.346 1.00 0.00 C ATOM 2949 CE1 HIS B 88 4.519 -9.114 8.766 1.00 0.00 C ATOM 2950 NE2 HIS B 88 3.577 -8.194 8.669 1.00 0.00 N ATOM 0 H HIS B 88 5.236 -9.988 2.978 1.00 0.00 H new ATOM 0 HA HIS B 88 4.799 -11.104 5.670 1.00 0.00 H new ATOM 0 HB2 HIS B 88 4.881 -8.506 4.730 1.00 0.00 H new ATOM 0 HB3 HIS B 88 3.159 -8.831 4.695 1.00 0.00 H new ATOM 0 HD2 HIS B 88 2.510 -7.350 6.949 1.00 0.00 H new ATOM 0 HE1 HIS B 88 4.976 -9.455 9.683 1.00 0.00 H new ATOM 0 HE2 HIS B 88 3.161 -7.687 9.450 1.00 0.00 H new ATOM 2959 N GLU B 89 3.101 -12.639 4.536 1.00 0.00 N ATOM 2960 CA GLU B 89 1.924 -13.449 4.228 1.00 0.00 C ATOM 2961 C GLU B 89 1.381 -13.137 2.833 1.00 0.00 C ATOM 2962 O GLU B 89 2.071 -12.530 2.013 1.00 0.00 O ATOM 2963 CB GLU B 89 0.839 -13.214 5.284 1.00 0.00 C ATOM 2964 CG GLU B 89 1.309 -13.479 6.706 1.00 0.00 C ATOM 2965 CD GLU B 89 1.868 -12.241 7.378 1.00 0.00 C ATOM 2966 OE1 GLU B 89 1.200 -11.186 7.329 1.00 0.00 O ATOM 2967 OE2 GLU B 89 2.974 -12.326 7.952 1.00 0.00 O ATOM 0 H GLU B 89 3.915 -13.177 4.833 1.00 0.00 H new ATOM 0 HA GLU B 89 2.221 -14.498 4.242 1.00 0.00 H new ATOM 0 HB2 GLU B 89 0.489 -12.184 5.211 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -0.014 -13.856 5.066 1.00 0.00 H new ATOM 0 HG2 GLU B 89 0.475 -13.862 7.294 1.00 0.00 H new ATOM 0 HG3 GLU B 89 2.073 -14.256 6.693 1.00 0.00 H new ATOM 2974 N SER B 90 0.141 -13.560 2.574 1.00 0.00 N ATOM 2975 CA SER B 90 -0.512 -13.335 1.284 1.00 0.00 C ATOM 2976 C SER B 90 -0.076 -14.374 0.255 1.00 0.00 C ATOM 2977 O SER B 90 -0.865 -15.229 -0.147 1.00 0.00 O ATOM 2978 CB SER B 90 -0.222 -11.925 0.760 1.00 0.00 C ATOM 2979 OG SER B 90 -0.314 -10.967 1.800 1.00 0.00 O ATOM 0 H SER B 90 -0.434 -14.065 3.248 1.00 0.00 H new ATOM 0 HA SER B 90 -1.586 -13.435 1.441 1.00 0.00 H new ATOM 0 HB2 SER B 90 0.775 -11.895 0.320 1.00 0.00 H new ATOM 0 HB3 SER B 90 -0.928 -11.676 -0.032 1.00 0.00 H new ATOM 0 HG SER B 90 0.297 -10.224 1.615 1.00 0.00 H new ATOM 2985 N PHE B 91 1.180 -14.294 -0.173 1.00 0.00 N ATOM 2986 CA PHE B 91 1.709 -15.229 -1.159 1.00 0.00 C ATOM 2987 C PHE B 91 2.772 -16.134 -0.543 1.00 0.00 C ATOM 2988 O PHE B 91 2.857 -17.318 -0.869 1.00 0.00 O ATOM 2989 CB PHE B 91 2.296 -14.466 -2.351 1.00 0.00 C ATOM 2990 CG PHE B 91 1.588 -14.743 -3.647 1.00 0.00 C ATOM 2991 CD1 PHE B 91 1.580 -16.019 -4.188 1.00 0.00 C ATOM 2992 CD2 PHE B 91 0.934 -13.726 -4.325 1.00 0.00 C ATOM 2993 CE1 PHE B 91 0.930 -16.276 -5.381 1.00 0.00 C ATOM 2994 CE2 PHE B 91 0.284 -13.978 -5.519 1.00 0.00 C ATOM 2995 CZ PHE B 91 0.282 -15.254 -6.047 1.00 0.00 C ATOM 0 H PHE B 91 1.849 -13.593 0.147 1.00 0.00 H new ATOM 0 HA PHE B 91 0.887 -15.855 -1.505 1.00 0.00 H new ATOM 0 HB2 PHE B 91 2.254 -13.397 -2.144 1.00 0.00 H new ATOM 0 HB3 PHE B 91 3.349 -14.729 -2.458 1.00 0.00 H new ATOM 0 HD1 PHE B 91 2.087 -16.821 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE B 91 0.932 -12.726 -3.916 1.00 0.00 H new ATOM 0 HE1 PHE B 91 0.929 -17.275 -5.792 1.00 0.00 H new ATOM 0 HE2 PHE B 91 -0.222 -13.177 -6.038 1.00 0.00 H new ATOM 0 HZ PHE B 91 -0.226 -15.453 -6.979 1.00 0.00 H new ATOM 3005 N VAL B 92 3.581 -15.569 0.346 1.00 0.00 N ATOM 3006 CA VAL B 92 4.640 -16.325 1.003 1.00 0.00 C ATOM 3007 C VAL B 92 4.068 -17.419 1.899 1.00 0.00 C ATOM 3008 O VAL B 92 4.713 -18.439 2.139 1.00 0.00 O ATOM 3009 CB VAL B 92 5.550 -15.411 1.844 1.00 0.00 C ATOM 3010 CG1 VAL B 92 6.494 -14.626 0.947 1.00 0.00 C ATOM 3011 CG2 VAL B 92 4.718 -14.472 2.707 1.00 0.00 C ATOM 0 H VAL B 92 3.524 -14.590 0.628 1.00 0.00 H new ATOM 0 HA VAL B 92 5.232 -16.783 0.211 1.00 0.00 H new ATOM 0 HB VAL B 92 6.150 -16.037 2.505 1.00 0.00 H new ATOM 0 HG11 VAL B 92 7.129 -13.986 1.559 1.00 0.00 H new ATOM 0 HG12 VAL B 92 7.116 -15.318 0.379 1.00 0.00 H new ATOM 0 HG13 VAL B 92 5.914 -14.011 0.259 1.00 0.00 H new ATOM 0 HG21 VAL B 92 5.380 -13.835 3.293 1.00 0.00 H new ATOM 0 HG22 VAL B 92 4.089 -13.852 2.068 1.00 0.00 H new ATOM 0 HG23 VAL B 92 4.089 -15.056 3.378 1.00 0.00 H new ATOM 3021 N LYS B 93 2.854 -17.201 2.391 1.00 0.00 N ATOM 3022 CA LYS B 93 2.196 -18.171 3.260 1.00 0.00 C ATOM 3023 C LYS B 93 1.308 -19.113 2.454 1.00 0.00 C ATOM 3024 O LYS B 93 1.094 -20.261 2.839 1.00 0.00 O ATOM 3025 CB LYS B 93 1.365 -17.453 4.325 1.00 0.00 C ATOM 3026 CG LYS B 93 0.263 -16.578 3.749 1.00 0.00 C ATOM 3027 CD LYS B 93 -1.102 -17.235 3.885 1.00 0.00 C ATOM 3028 CE LYS B 93 -2.223 -16.261 3.560 1.00 0.00 C ATOM 3029 NZ LYS B 93 -3.565 -16.853 3.815 1.00 0.00 N ATOM 0 H LYS B 93 2.305 -16.362 2.204 1.00 0.00 H new ATOM 0 HA LYS B 93 2.969 -18.763 3.750 1.00 0.00 H new ATOM 0 HB2 LYS B 93 0.919 -18.195 4.988 1.00 0.00 H new ATOM 0 HB3 LYS B 93 2.025 -16.837 4.935 1.00 0.00 H new ATOM 0 HG2 LYS B 93 0.257 -15.616 4.261 1.00 0.00 H new ATOM 0 HG3 LYS B 93 0.468 -16.378 2.697 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -1.161 -18.095 3.218 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -1.227 -17.610 4.901 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -2.105 -15.358 4.159 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -2.151 -15.961 2.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -4.302 -16.157 3.581 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -3.689 -17.700 3.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -3.643 -17.116 4.818 1.00 0.00 H new ATOM 3043 N ALA B 94 0.792 -18.618 1.333 1.00 0.00 N ATOM 3044 CA ALA B 94 -0.074 -19.417 0.473 1.00 0.00 C ATOM 3045 C ALA B 94 0.699 -20.566 -0.168 1.00 0.00 C ATOM 3046 O ALA B 94 0.135 -21.623 -0.451 1.00 0.00 O ATOM 3047 CB ALA B 94 -0.704 -18.541 -0.598 1.00 0.00 C ATOM 0 H ALA B 94 0.958 -17.669 0.999 1.00 0.00 H new ATOM 0 HA ALA B 94 -0.865 -19.845 1.090 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -1.348 -19.149 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -1.296 -17.757 -0.125 1.00 0.00 H new ATOM 0 HB3 ALA B 94 0.080 -18.087 -1.205 1.00 0.00 H new ATOM 3053 N ALA B 95 1.990 -20.352 -0.395 1.00 0.00 N ATOM 3054 CA ALA B 95 2.838 -21.370 -1.004 1.00 0.00 C ATOM 3055 C ALA B 95 4.301 -21.172 -0.611 1.00 0.00 C ATOM 3056 O ALA B 95 5.143 -20.853 -1.451 1.00 0.00 O ATOM 3057 CB ALA B 95 2.679 -21.347 -2.518 1.00 0.00 C ATOM 0 H ALA B 95 2.472 -19.483 -0.167 1.00 0.00 H new ATOM 0 HA ALA B 95 2.523 -22.346 -0.634 1.00 0.00 H new ATOM 0 HB1 ALA B 95 3.317 -22.111 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA B 95 1.639 -21.546 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA B 95 2.967 -20.367 -2.899 1.00 0.00 H new ATOM 3063 N PRO B 96 4.625 -21.363 0.680 1.00 0.00 N ATOM 3064 CA PRO B 96 5.993 -21.206 1.187 1.00 0.00 C ATOM 3065 C PRO B 96 6.994 -22.112 0.469 1.00 0.00 C ATOM 3066 O PRO B 96 8.064 -21.659 0.063 1.00 0.00 O ATOM 3067 CB PRO B 96 5.874 -21.595 2.664 1.00 0.00 C ATOM 3068 CG PRO B 96 4.440 -21.378 2.995 1.00 0.00 C ATOM 3069 CD PRO B 96 3.689 -21.744 1.751 1.00 0.00 C ATOM 0 HA PRO B 96 6.370 -20.195 1.029 1.00 0.00 H new ATOM 0 HB2 PRO B 96 6.165 -22.633 2.825 1.00 0.00 H new ATOM 0 HB3 PRO B 96 6.522 -20.981 3.289 1.00 0.00 H new ATOM 0 HG2 PRO B 96 4.132 -21.998 3.837 1.00 0.00 H new ATOM 0 HG3 PRO B 96 4.254 -20.342 3.277 1.00 0.00 H new ATOM 0 HD2 PRO B 96 3.451 -22.807 1.721 1.00 0.00 H new ATOM 0 HD3 PRO B 96 2.745 -21.204 1.675 1.00 0.00 H new ATOM 3077 N PRO B 97 6.666 -23.408 0.298 1.00 0.00 N ATOM 3078 CA PRO B 97 7.552 -24.357 -0.376 1.00 0.00 C ATOM 3079 C PRO B 97 7.474 -24.244 -1.895 1.00 0.00 C ATOM 3080 O PRO B 97 8.420 -24.591 -2.602 1.00 0.00 O ATOM 3081 CB PRO B 97 7.020 -25.710 0.089 1.00 0.00 C ATOM 3082 CG PRO B 97 5.562 -25.485 0.303 1.00 0.00 C ATOM 3083 CD PRO B 97 5.411 -24.050 0.744 1.00 0.00 C ATOM 0 HA PRO B 97 8.601 -24.186 -0.135 1.00 0.00 H new ATOM 0 HB2 PRO B 97 7.197 -26.484 -0.658 1.00 0.00 H new ATOM 0 HB3 PRO B 97 7.510 -26.035 1.007 1.00 0.00 H new ATOM 0 HG2 PRO B 97 5.002 -25.670 -0.614 1.00 0.00 H new ATOM 0 HG3 PRO B 97 5.171 -26.166 1.059 1.00 0.00 H new ATOM 0 HD2 PRO B 97 4.539 -23.582 0.288 1.00 0.00 H new ATOM 0 HD3 PRO B 97 5.286 -23.975 1.824 1.00 0.00 H new ATOM 3091 N GLN B 98 6.341 -23.757 -2.389 1.00 0.00 N ATOM 3092 CA GLN B 98 6.137 -23.599 -3.825 1.00 0.00 C ATOM 3093 C GLN B 98 7.052 -22.515 -4.388 1.00 0.00 C ATOM 3094 O GLN B 98 6.653 -21.358 -4.521 1.00 0.00 O ATOM 3095 CB GLN B 98 4.674 -23.256 -4.117 1.00 0.00 C ATOM 3096 CG GLN B 98 4.084 -24.048 -5.272 1.00 0.00 C ATOM 3097 CD GLN B 98 3.349 -25.291 -4.811 1.00 0.00 C ATOM 3098 OE1 GLN B 98 2.311 -25.205 -4.155 1.00 0.00 O ATOM 3099 NE2 GLN B 98 3.886 -26.456 -5.152 1.00 0.00 N ATOM 0 H GLN B 98 5.549 -23.465 -1.816 1.00 0.00 H new ATOM 0 HA GLN B 98 6.384 -24.543 -4.310 1.00 0.00 H new ATOM 0 HB2 GLN B 98 4.081 -23.439 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN B 98 4.596 -22.192 -4.339 1.00 0.00 H new ATOM 0 HG2 GLN B 98 3.398 -23.412 -5.831 1.00 0.00 H new ATOM 0 HG3 GLN B 98 4.882 -24.335 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN B 98 4.748 -26.480 -5.697 1.00 0.00 H new ATOM 0 HE22 GLN B 98 3.437 -27.327 -4.869 1.00 0.00 H new ATOM 3108 N LYS B 99 8.281 -22.899 -4.719 1.00 0.00 N ATOM 3109 CA LYS B 99 9.254 -21.961 -5.270 1.00 0.00 C ATOM 3110 C LYS B 99 10.558 -22.672 -5.614 1.00 0.00 C ATOM 3111 O LYS B 99 10.772 -23.821 -5.226 1.00 0.00 O ATOM 3112 CB LYS B 99 9.522 -20.829 -4.276 1.00 0.00 C ATOM 3113 CG LYS B 99 10.171 -21.294 -2.982 1.00 0.00 C ATOM 3114 CD LYS B 99 10.942 -20.170 -2.311 1.00 0.00 C ATOM 3115 CE LYS B 99 10.070 -19.406 -1.327 1.00 0.00 C ATOM 3116 NZ LYS B 99 9.243 -18.370 -2.005 1.00 0.00 N ATOM 0 H LYS B 99 8.627 -23.853 -4.615 1.00 0.00 H new ATOM 0 HA LYS B 99 8.839 -21.539 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS B 99 10.165 -20.087 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS B 99 8.580 -20.332 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS B 99 9.404 -21.667 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS B 99 10.845 -22.125 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS B 99 11.806 -20.581 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS B 99 11.323 -19.485 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS B 99 9.418 -20.104 -0.802 1.00 0.00 H new ATOM 0 HE3 LYS B 99 10.701 -18.932 -0.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 99 8.890 -17.691 -1.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 99 9.822 -17.869 -2.708 1.00 0.00 H new ATOM 0 HZ3 LYS B 99 8.438 -18.825 -2.481 1.00 0.00 H new ATOM 3130 N ARG B 100 11.429 -21.982 -6.343 1.00 0.00 N ATOM 3131 CA ARG B 100 12.713 -22.548 -6.739 1.00 0.00 C ATOM 3132 C ARG B 100 13.694 -21.449 -7.136 1.00 0.00 C ATOM 3133 O ARG B 100 14.737 -21.276 -6.504 1.00 0.00 O ATOM 3134 CB ARG B 100 12.525 -23.529 -7.899 1.00 0.00 C ATOM 3135 CG ARG B 100 13.196 -24.874 -7.673 1.00 0.00 C ATOM 3136 CD ARG B 100 14.237 -25.169 -8.742 1.00 0.00 C ATOM 3137 NE ARG B 100 15.247 -26.117 -8.275 1.00 0.00 N ATOM 3138 CZ ARG B 100 15.008 -27.409 -8.063 1.00 0.00 C ATOM 3139 NH1 ARG B 100 13.798 -27.911 -8.272 1.00 0.00 N ATOM 3140 NH2 ARG B 100 15.983 -28.201 -7.639 1.00 0.00 N ATOM 0 H ARG B 100 11.269 -21.030 -6.672 1.00 0.00 H new ATOM 0 HA ARG B 100 13.126 -23.084 -5.884 1.00 0.00 H new ATOM 0 HB2 ARG B 100 11.459 -23.687 -8.061 1.00 0.00 H new ATOM 0 HB3 ARG B 100 12.923 -23.082 -8.810 1.00 0.00 H new ATOM 0 HG2 ARG B 100 13.669 -24.884 -6.691 1.00 0.00 H new ATOM 0 HG3 ARG B 100 12.442 -25.661 -7.672 1.00 0.00 H new ATOM 0 HD2 ARG B 100 13.744 -25.571 -9.627 1.00 0.00 H new ATOM 0 HD3 ARG B 100 14.722 -24.240 -9.042 1.00 0.00 H new ATOM 0 HE ARG B 100 16.190 -25.768 -8.102 1.00 0.00 H new ATOM 0 HH11 ARG B 100 13.044 -27.306 -8.597 1.00 0.00 H new ATOM 0 HH12 ARG B 100 13.622 -28.902 -8.108 1.00 0.00 H new ATOM 0 HH21 ARG B 100 16.915 -27.820 -7.476 1.00 0.00 H new ATOM 0 HH22 ARG B 100 15.801 -29.191 -7.476 1.00 0.00 H new ATOM 3153 N PHE B 101 13.352 -20.709 -8.185 1.00 0.00 N ATOM 3154 CA PHE B 101 14.202 -19.628 -8.667 1.00 0.00 C ATOM 3155 C PHE B 101 13.384 -18.590 -9.429 1.00 0.00 C ATOM 3156 O PHE B 101 13.437 -17.401 -9.049 1.00 0.00 O ATOM 3157 CB PHE B 101 15.310 -20.184 -9.565 1.00 0.00 C ATOM 3158 CG PHE B 101 16.685 -19.717 -9.182 1.00 0.00 C ATOM 3159 CD1 PHE B 101 17.381 -20.340 -8.158 1.00 0.00 C ATOM 3160 CD2 PHE B 101 17.282 -18.657 -9.846 1.00 0.00 C ATOM 3161 CE1 PHE B 101 18.647 -19.912 -7.803 1.00 0.00 C ATOM 3162 CE2 PHE B 101 18.546 -18.226 -9.495 1.00 0.00 C ATOM 3163 CZ PHE B 101 19.230 -18.854 -8.472 1.00 0.00 C ATOM 3164 OXT PHE B 101 12.696 -18.975 -10.398 1.00 0.00 O ATOM 0 H PHE B 101 12.492 -20.839 -8.718 1.00 0.00 H new ATOM 0 HA PHE B 101 14.655 -19.142 -7.803 1.00 0.00 H new ATOM 0 HB2 PHE B 101 15.282 -21.273 -9.530 1.00 0.00 H new ATOM 0 HB3 PHE B 101 15.111 -19.893 -10.596 1.00 0.00 H new ATOM 0 HD1 PHE B 101 16.930 -21.168 -7.632 1.00 0.00 H new ATOM 0 HD2 PHE B 101 16.753 -18.163 -10.647 1.00 0.00 H new ATOM 0 HE1 PHE B 101 19.179 -20.405 -7.003 1.00 0.00 H new ATOM 0 HE2 PHE B 101 19.000 -17.398 -10.020 1.00 0.00 H new ATOM 0 HZ PHE B 101 20.219 -18.518 -8.196 1.00 0.00 H new TER 3174 PHE B 101