USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 833 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.795 (180deg=0.0144) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 147:sc=-0.00196 (180deg=-3.22!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -11:sc= 0.651 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 22 SER OG : rot 180:sc= 0.295 USER MOD Single : A 24 HIS : no HD1:sc= -0.748 X(o=-0.75,f=-0.6) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -118:sc= -0.604 (180deg=-3.8!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0131) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0.0215 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -178:sc= 0 (180deg=-0.00591) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.079) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0361) USER MOD Single : A 56 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.9!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0.0144 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.678 K(o=-0.68,f=-1.8!) USER MOD Single : A 85 ASN : amide:sc= -0.0279 K(o=-0.028,f=-0.88) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.695 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 57:sc= 1.25 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.05 K(o=-1.1,f=-2) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.675 -12.194 -11.798 1.00 14.03 N ATOM 2 CA MET A 1 1.543 -12.791 -12.496 1.00 32.20 C ATOM 3 C MET A 1 0.241 -12.092 -12.119 1.00 34.23 C ATOM 4 O MET A 1 -0.822 -12.713 -12.094 1.00 42.32 O ATOM 5 CB MET A 1 1.446 -14.283 -12.173 1.00 25.33 C ATOM 6 CG MET A 1 2.557 -15.113 -12.797 1.00 21.22 C ATOM 7 SD MET A 1 4.053 -15.139 -11.791 1.00 0.24 S ATOM 8 CE MET A 1 4.870 -16.597 -12.437 1.00 21.45 C ATOM 0 H1 MET A 1 3.407 -12.916 -11.642 1.00 14.03 H new ATOM 0 H2 MET A 1 3.069 -11.421 -12.372 1.00 14.03 H new ATOM 0 H3 MET A 1 2.359 -11.818 -10.882 1.00 14.03 H new ATOM 0 HA MET A 1 1.704 -12.668 -13.567 1.00 32.20 H new ATOM 0 HB2 MET A 1 1.469 -14.415 -11.091 1.00 25.33 H new ATOM 0 HB3 MET A 1 0.484 -14.660 -12.519 1.00 25.33 H new ATOM 0 HG2 MET A 1 2.204 -16.134 -12.943 1.00 21.22 H new ATOM 0 HG3 MET A 1 2.794 -14.713 -13.783 1.00 21.22 H new ATOM 0 HE1 MET A 1 5.814 -16.747 -11.913 1.00 21.45 H new ATOM 0 HE2 MET A 1 4.231 -17.468 -12.290 1.00 21.45 H new ATOM 0 HE3 MET A 1 5.063 -16.464 -13.502 1.00 21.45 H new ATOM 18 N GLN A 2 0.332 -10.799 -11.825 1.00 60.51 N ATOM 19 CA GLN A 2 -0.840 -10.018 -11.447 1.00 5.11 C ATOM 20 C GLN A 2 -1.055 -8.857 -12.414 1.00 23.52 C ATOM 21 O GLN A 2 -0.101 -8.207 -12.839 1.00 63.34 O ATOM 22 CB GLN A 2 -0.687 -9.486 -10.021 1.00 22.34 C ATOM 23 CG GLN A 2 -1.177 -10.454 -8.956 1.00 23.30 C ATOM 24 CD GLN A 2 -1.568 -9.755 -7.668 1.00 73.45 C ATOM 25 OE1 GLN A 2 -0.729 -9.162 -6.991 1.00 22.50 O ATOM 26 NE2 GLN A 2 -2.849 -9.822 -7.324 1.00 62.43 N ATOM 0 H GLN A 2 1.204 -10.270 -11.841 1.00 60.51 H new ATOM 0 HA GLN A 2 -1.711 -10.672 -11.492 1.00 5.11 H new ATOM 0 HB2 GLN A 2 0.363 -9.258 -9.838 1.00 22.34 H new ATOM 0 HB3 GLN A 2 -1.237 -8.550 -9.930 1.00 22.34 H new ATOM 0 HG2 GLN A 2 -2.034 -11.007 -9.340 1.00 23.30 H new ATOM 0 HG3 GLN A 2 -0.395 -11.184 -8.746 1.00 23.30 H new ATOM 0 HE21 GLN A 2 -3.510 -10.325 -7.916 1.00 62.43 H new ATOM 0 HE22 GLN A 2 -3.171 -9.371 -6.468 1.00 62.43 H new ATOM 35 N GLU A 3 -2.314 -8.606 -12.757 1.00 53.31 N ATOM 36 CA GLU A 3 -2.653 -7.524 -13.675 1.00 44.14 C ATOM 37 C GLU A 3 -3.519 -6.476 -12.984 1.00 53.44 C ATOM 38 O GLU A 3 -4.628 -6.767 -12.539 1.00 21.53 O ATOM 39 CB GLU A 3 -3.383 -8.076 -14.901 1.00 63.15 C ATOM 40 CG GLU A 3 -2.499 -8.918 -15.807 1.00 75.24 C ATOM 41 CD GLU A 3 -1.481 -8.088 -16.565 1.00 13.41 C ATOM 42 OE1 GLU A 3 -1.888 -7.339 -17.477 1.00 14.20 O ATOM 43 OE2 GLU A 3 -0.278 -8.188 -16.245 1.00 51.50 O ATOM 0 H GLU A 3 -3.115 -9.136 -12.414 1.00 53.31 H new ATOM 0 HA GLU A 3 -1.725 -7.050 -13.996 1.00 44.14 H new ATOM 0 HB2 GLU A 3 -4.228 -8.679 -14.569 1.00 63.15 H new ATOM 0 HB3 GLU A 3 -3.791 -7.244 -15.476 1.00 63.15 H new ATOM 0 HG2 GLU A 3 -1.979 -9.666 -15.208 1.00 75.24 H new ATOM 0 HG3 GLU A 3 -3.124 -9.458 -16.518 1.00 75.24 H new ATOM 50 N GLN A 4 -3.003 -5.254 -12.898 1.00 51.24 N ATOM 51 CA GLN A 4 -3.728 -4.161 -12.260 1.00 52.35 C ATOM 52 C GLN A 4 -4.929 -3.741 -13.102 1.00 14.42 C ATOM 53 O GLN A 4 -4.790 -3.408 -14.279 1.00 3.50 O ATOM 54 CB GLN A 4 -2.801 -2.964 -12.041 1.00 31.33 C ATOM 55 CG GLN A 4 -3.479 -1.785 -11.363 1.00 73.24 C ATOM 56 CD GLN A 4 -2.495 -0.719 -10.924 1.00 55.35 C ATOM 57 OE1 GLN A 4 -2.340 0.309 -11.585 1.00 74.14 O ATOM 58 NE2 GLN A 4 -1.824 -0.957 -9.804 1.00 50.35 N ATOM 0 H GLN A 4 -2.086 -4.996 -13.262 1.00 51.24 H new ATOM 0 HA GLN A 4 -4.089 -4.513 -11.294 1.00 52.35 H new ATOM 0 HB2 GLN A 4 -1.950 -3.280 -11.437 1.00 31.33 H new ATOM 0 HB3 GLN A 4 -2.406 -2.640 -13.004 1.00 31.33 H new ATOM 0 HG2 GLN A 4 -4.204 -1.345 -12.048 1.00 73.24 H new ATOM 0 HG3 GLN A 4 -4.035 -2.140 -10.495 1.00 73.24 H new ATOM 0 HE21 GLN A 4 -1.984 -1.822 -9.288 1.00 50.35 H new ATOM 0 HE22 GLN A 4 -1.149 -0.275 -9.459 1.00 50.35 H new ATOM 67 N VAL A 5 -6.109 -3.758 -12.490 1.00 61.41 N ATOM 68 CA VAL A 5 -7.335 -3.379 -13.183 1.00 50.20 C ATOM 69 C VAL A 5 -8.190 -2.456 -12.321 1.00 62.11 C ATOM 70 O VAL A 5 -8.426 -2.730 -11.144 1.00 65.34 O ATOM 71 CB VAL A 5 -8.167 -4.615 -13.571 1.00 63.13 C ATOM 72 CG1 VAL A 5 -9.394 -4.204 -14.370 1.00 32.31 C ATOM 73 CG2 VAL A 5 -7.317 -5.603 -14.356 1.00 44.05 C ATOM 0 H VAL A 5 -6.242 -4.030 -11.516 1.00 61.41 H new ATOM 0 HA VAL A 5 -7.036 -2.853 -14.090 1.00 50.20 H new ATOM 0 HB VAL A 5 -8.505 -5.105 -12.658 1.00 63.13 H new ATOM 0 HG11 VAL A 5 -9.969 -5.091 -14.635 1.00 32.31 H new ATOM 0 HG12 VAL A 5 -10.012 -3.536 -13.770 1.00 32.31 H new ATOM 0 HG13 VAL A 5 -9.081 -3.690 -15.279 1.00 32.31 H new ATOM 0 HG21 VAL A 5 -7.920 -6.471 -14.622 1.00 44.05 H new ATOM 0 HG22 VAL A 5 -6.948 -5.125 -15.264 1.00 44.05 H new ATOM 0 HG23 VAL A 5 -6.472 -5.922 -13.745 1.00 44.05 H new ATOM 83 N SER A 6 -8.651 -1.361 -12.914 1.00 51.43 N ATOM 84 CA SER A 6 -9.477 -0.394 -12.200 1.00 54.20 C ATOM 85 C SER A 6 -10.959 -0.668 -12.436 1.00 15.40 C ATOM 86 O SER A 6 -11.799 -0.379 -11.583 1.00 63.04 O ATOM 87 CB SER A 6 -9.134 1.030 -12.644 1.00 25.53 C ATOM 88 OG SER A 6 -7.976 1.505 -11.978 1.00 12.30 O ATOM 0 H SER A 6 -8.467 -1.120 -13.888 1.00 51.43 H new ATOM 0 HA SER A 6 -9.271 -0.494 -11.134 1.00 54.20 H new ATOM 0 HB2 SER A 6 -8.972 1.050 -13.722 1.00 25.53 H new ATOM 0 HB3 SER A 6 -9.975 1.692 -12.436 1.00 25.53 H new ATOM 0 HG SER A 6 -7.776 2.416 -12.279 1.00 12.30 H new ATOM 94 N ASN A 7 -11.275 -1.227 -13.600 1.00 24.34 N ATOM 95 CA ASN A 7 -12.656 -1.540 -13.948 1.00 44.35 C ATOM 96 C ASN A 7 -13.217 -2.620 -13.030 1.00 14.44 C ATOM 97 O ASN A 7 -12.489 -3.219 -12.240 1.00 2.13 O ATOM 98 CB ASN A 7 -12.743 -1.999 -15.406 1.00 51.52 C ATOM 99 CG ASN A 7 -12.880 -0.837 -16.371 1.00 14.14 C ATOM 100 OD1 ASN A 7 -11.944 -0.504 -17.097 1.00 25.02 O ATOM 101 ND2 ASN A 7 -14.052 -0.212 -16.382 1.00 35.42 N ATOM 0 H ASN A 7 -10.593 -1.472 -14.318 1.00 24.34 H new ATOM 0 HA ASN A 7 -13.251 -0.636 -13.821 1.00 44.35 H new ATOM 0 HB2 ASN A 7 -11.851 -2.573 -15.657 1.00 51.52 H new ATOM 0 HB3 ASN A 7 -13.596 -2.668 -15.523 1.00 51.52 H new ATOM 0 HD21 ASN A 7 -14.203 0.578 -17.010 1.00 35.42 H new ATOM 0 HD22 ASN A 7 -14.801 -0.522 -15.763 1.00 35.42 H new ATOM 108 N VAL A 8 -14.520 -2.863 -13.139 1.00 3.15 N ATOM 109 CA VAL A 8 -15.181 -3.872 -12.318 1.00 51.54 C ATOM 110 C VAL A 8 -14.598 -5.257 -12.575 1.00 51.41 C ATOM 111 O VAL A 8 -13.682 -5.416 -13.382 1.00 13.40 O ATOM 112 CB VAL A 8 -16.698 -3.907 -12.587 1.00 4.03 C ATOM 113 CG1 VAL A 8 -17.345 -2.597 -12.163 1.00 72.40 C ATOM 114 CG2 VAL A 8 -16.972 -4.196 -14.055 1.00 23.43 C ATOM 0 H VAL A 8 -15.138 -2.375 -13.787 1.00 3.15 H new ATOM 0 HA VAL A 8 -15.010 -3.597 -11.277 1.00 51.54 H new ATOM 0 HB VAL A 8 -17.137 -4.710 -11.995 1.00 4.03 H new ATOM 0 HG11 VAL A 8 -18.416 -2.640 -12.360 1.00 72.40 H new ATOM 0 HG12 VAL A 8 -17.178 -2.437 -11.098 1.00 72.40 H new ATOM 0 HG13 VAL A 8 -16.905 -1.775 -12.727 1.00 72.40 H new ATOM 0 HG21 VAL A 8 -18.048 -4.217 -14.227 1.00 23.43 H new ATOM 0 HG22 VAL A 8 -16.522 -3.417 -14.670 1.00 23.43 H new ATOM 0 HG23 VAL A 8 -16.543 -5.162 -14.322 1.00 23.43 H new ATOM 124 N ARG A 9 -15.135 -6.255 -11.883 1.00 73.41 N ATOM 125 CA ARG A 9 -14.667 -7.628 -12.036 1.00 34.42 C ATOM 126 C ARG A 9 -15.833 -8.610 -11.962 1.00 31.42 C ATOM 127 O ARG A 9 -16.825 -8.363 -11.277 1.00 44.11 O ATOM 128 CB ARG A 9 -13.637 -7.961 -10.955 1.00 50.02 C ATOM 129 CG ARG A 9 -14.052 -7.521 -9.561 1.00 45.44 C ATOM 130 CD ARG A 9 -13.301 -8.290 -8.487 1.00 23.31 C ATOM 131 NE ARG A 9 -11.935 -7.802 -8.316 1.00 11.13 N ATOM 132 CZ ARG A 9 -11.105 -8.251 -7.381 1.00 33.42 C ATOM 133 NH1 ARG A 9 -11.500 -9.196 -6.538 1.00 41.24 N ATOM 134 NH2 ARG A 9 -9.878 -7.756 -7.289 1.00 30.12 N ATOM 0 H ARG A 9 -15.894 -6.140 -11.211 1.00 73.41 H new ATOM 0 HA ARG A 9 -14.198 -7.719 -13.016 1.00 34.42 H new ATOM 0 HB2 ARG A 9 -13.463 -9.037 -10.950 1.00 50.02 H new ATOM 0 HB3 ARG A 9 -12.689 -7.486 -11.210 1.00 50.02 H new ATOM 0 HG2 ARG A 9 -13.864 -6.454 -9.444 1.00 45.44 H new ATOM 0 HG3 ARG A 9 -15.124 -7.671 -9.435 1.00 45.44 H new ATOM 0 HD2 ARG A 9 -13.836 -8.207 -7.541 1.00 23.31 H new ATOM 0 HD3 ARG A 9 -13.278 -9.348 -8.748 1.00 23.31 H new ATOM 0 HE ARG A 9 -11.600 -7.076 -8.950 1.00 11.13 H new ATOM 0 HH11 ARG A 9 -12.443 -9.579 -6.607 1.00 41.24 H new ATOM 0 HH12 ARG A 9 -10.861 -9.539 -5.821 1.00 41.24 H new ATOM 0 HH21 ARG A 9 -9.571 -7.030 -7.936 1.00 30.12 H new ATOM 0 HH22 ARG A 9 -9.241 -8.101 -6.571 1.00 30.12 H new ATOM 148 N ALA A 10 -15.706 -9.726 -12.673 1.00 64.43 N ATOM 149 CA ALA A 10 -16.746 -10.747 -12.687 1.00 54.50 C ATOM 150 C ALA A 10 -16.372 -11.925 -11.795 1.00 33.03 C ATOM 151 O ALA A 10 -15.307 -12.522 -11.953 1.00 11.21 O ATOM 152 CB ALA A 10 -17.003 -11.219 -14.111 1.00 25.45 C ATOM 0 H ALA A 10 -14.892 -9.946 -13.247 1.00 64.43 H new ATOM 0 HA ALA A 10 -17.661 -10.304 -12.293 1.00 54.50 H new ATOM 0 HB1 ALA A 10 -17.782 -11.981 -14.107 1.00 25.45 H new ATOM 0 HB2 ALA A 10 -17.325 -10.375 -14.722 1.00 25.45 H new ATOM 0 HB3 ALA A 10 -16.087 -11.639 -14.526 1.00 25.45 H new ATOM 158 N ARG A 11 -17.254 -12.256 -10.858 1.00 71.20 N ATOM 159 CA ARG A 11 -17.015 -13.362 -9.940 1.00 23.54 C ATOM 160 C ARG A 11 -17.853 -14.578 -10.323 1.00 64.12 C ATOM 161 O ARG A 11 -19.055 -14.626 -10.056 1.00 4.14 O ATOM 162 CB ARG A 11 -17.337 -12.941 -8.504 1.00 65.23 C ATOM 163 CG ARG A 11 -16.571 -13.726 -7.453 1.00 23.54 C ATOM 164 CD ARG A 11 -16.897 -13.244 -6.048 1.00 51.05 C ATOM 165 NE ARG A 11 -16.177 -12.020 -5.709 1.00 52.14 N ATOM 166 CZ ARG A 11 -16.335 -11.367 -4.563 1.00 63.30 C ATOM 167 NH1 ARG A 11 -17.183 -11.821 -3.650 1.00 34.23 N ATOM 168 NH2 ARG A 11 -15.644 -10.259 -4.327 1.00 64.20 N ATOM 0 H ARG A 11 -18.141 -11.773 -10.715 1.00 71.20 H new ATOM 0 HA ARG A 11 -15.961 -13.632 -10.005 1.00 23.54 H new ATOM 0 HB2 ARG A 11 -17.115 -11.880 -8.387 1.00 65.23 H new ATOM 0 HB3 ARG A 11 -18.406 -13.064 -8.329 1.00 65.23 H new ATOM 0 HG2 ARG A 11 -16.813 -14.785 -7.541 1.00 23.54 H new ATOM 0 HG3 ARG A 11 -15.500 -13.628 -7.633 1.00 23.54 H new ATOM 0 HD2 ARG A 11 -17.970 -13.069 -5.965 1.00 51.05 H new ATOM 0 HD3 ARG A 11 -16.645 -14.024 -5.329 1.00 51.05 H new ATOM 0 HE ARG A 11 -15.516 -11.646 -6.390 1.00 52.14 H new ATOM 0 HH11 ARG A 11 -17.715 -12.673 -3.827 1.00 34.23 H new ATOM 0 HH12 ARG A 11 -17.303 -11.318 -2.771 1.00 34.23 H new ATOM 0 HH21 ARG A 11 -14.990 -9.907 -5.026 1.00 64.20 H new ATOM 0 HH22 ARG A 11 -15.767 -9.759 -3.446 1.00 64.20 H new ATOM 182 N ILE A 12 -17.211 -15.559 -10.952 1.00 53.50 N ATOM 183 CA ILE A 12 -17.898 -16.773 -11.371 1.00 60.34 C ATOM 184 C ILE A 12 -17.675 -17.903 -10.372 1.00 24.54 C ATOM 185 O ILE A 12 -16.555 -18.124 -9.907 1.00 74.42 O ATOM 186 CB ILE A 12 -17.427 -17.234 -12.764 1.00 12.04 C ATOM 187 CG1 ILE A 12 -17.682 -16.139 -13.801 1.00 11.21 C ATOM 188 CG2 ILE A 12 -18.131 -18.522 -13.161 1.00 63.14 C ATOM 189 CD1 ILE A 12 -16.822 -16.265 -15.038 1.00 70.24 C ATOM 0 H ILE A 12 -16.217 -15.535 -11.182 1.00 53.50 H new ATOM 0 HA ILE A 12 -18.961 -16.535 -11.416 1.00 60.34 H new ATOM 0 HB ILE A 12 -16.355 -17.427 -12.724 1.00 12.04 H new ATOM 0 HG12 ILE A 12 -18.732 -16.165 -14.094 1.00 11.21 H new ATOM 0 HG13 ILE A 12 -17.503 -15.167 -13.342 1.00 11.21 H new ATOM 0 HG21 ILE A 12 -17.788 -18.835 -14.147 1.00 63.14 H new ATOM 0 HG22 ILE A 12 -17.903 -19.301 -12.433 1.00 63.14 H new ATOM 0 HG23 ILE A 12 -19.208 -18.355 -13.188 1.00 63.14 H new ATOM 0 HD11 ILE A 12 -17.057 -15.455 -15.729 1.00 70.24 H new ATOM 0 HD12 ILE A 12 -15.770 -16.208 -14.757 1.00 70.24 H new ATOM 0 HD13 ILE A 12 -17.018 -17.222 -15.521 1.00 70.24 H new ATOM 201 N TYR A 13 -18.746 -18.618 -10.047 1.00 21.05 N ATOM 202 CA TYR A 13 -18.668 -19.727 -9.102 1.00 41.55 C ATOM 203 C TYR A 13 -19.118 -21.031 -9.753 1.00 44.33 C ATOM 204 O TYR A 13 -19.989 -21.036 -10.624 1.00 11.11 O ATOM 205 CB TYR A 13 -19.528 -19.435 -7.870 1.00 42.01 C ATOM 206 CG TYR A 13 -18.750 -18.847 -6.715 1.00 52.14 C ATOM 207 CD1 TYR A 13 -17.870 -17.790 -6.910 1.00 45.14 C ATOM 208 CD2 TYR A 13 -18.898 -19.347 -5.427 1.00 41.43 C ATOM 209 CE1 TYR A 13 -17.157 -17.250 -5.858 1.00 42.21 C ATOM 210 CE2 TYR A 13 -18.191 -18.811 -4.368 1.00 23.25 C ATOM 211 CZ TYR A 13 -17.321 -17.764 -4.589 1.00 20.13 C ATOM 212 OH TYR A 13 -16.614 -17.228 -3.536 1.00 41.34 O ATOM 0 H TYR A 13 -19.679 -18.450 -10.424 1.00 21.05 H new ATOM 0 HA TYR A 13 -17.628 -19.837 -8.794 1.00 41.55 H new ATOM 0 HB2 TYR A 13 -20.325 -18.746 -8.149 1.00 42.01 H new ATOM 0 HB3 TYR A 13 -20.005 -20.359 -7.543 1.00 42.01 H new ATOM 0 HD1 TYR A 13 -17.741 -17.383 -7.902 1.00 45.14 H new ATOM 0 HD2 TYR A 13 -19.577 -20.168 -5.251 1.00 41.43 H new ATOM 0 HE1 TYR A 13 -16.475 -16.430 -6.028 1.00 42.21 H new ATOM 0 HE2 TYR A 13 -18.319 -19.210 -3.372 1.00 23.25 H new ATOM 0 HH TYR A 13 -16.846 -17.703 -2.711 1.00 41.34 H new ATOM 222 N LYS A 14 -18.518 -22.136 -9.325 1.00 44.02 N ATOM 223 CA LYS A 14 -18.855 -23.448 -9.863 1.00 54.34 C ATOM 224 C LYS A 14 -20.243 -23.884 -9.404 1.00 71.11 C ATOM 225 O LYS A 14 -20.733 -23.472 -8.351 1.00 61.03 O ATOM 226 CB LYS A 14 -17.815 -24.483 -9.430 1.00 25.30 C ATOM 227 CG LYS A 14 -17.723 -24.659 -7.924 1.00 32.13 C ATOM 228 CD LYS A 14 -17.644 -26.127 -7.538 1.00 14.24 C ATOM 229 CE LYS A 14 -17.288 -26.299 -6.069 1.00 40.44 C ATOM 230 NZ LYS A 14 -17.527 -27.691 -5.600 1.00 24.33 N ATOM 0 H LYS A 14 -17.795 -22.149 -8.606 1.00 44.02 H new ATOM 0 HA LYS A 14 -18.856 -23.377 -10.951 1.00 54.34 H new ATOM 0 HB2 LYS A 14 -18.058 -25.443 -9.885 1.00 25.30 H new ATOM 0 HB3 LYS A 14 -16.838 -24.187 -9.813 1.00 25.30 H new ATOM 0 HG2 LYS A 14 -16.844 -24.135 -7.549 1.00 32.13 H new ATOM 0 HG3 LYS A 14 -18.592 -24.203 -7.450 1.00 32.13 H new ATOM 0 HD2 LYS A 14 -18.600 -26.609 -7.741 1.00 14.24 H new ATOM 0 HD3 LYS A 14 -16.898 -26.627 -8.155 1.00 14.24 H new ATOM 0 HE2 LYS A 14 -16.240 -26.039 -5.916 1.00 40.44 H new ATOM 0 HE3 LYS A 14 -17.879 -25.607 -5.469 1.00 40.44 H new ATOM 0 HZ1 LYS A 14 -16.823 -27.939 -4.875 1.00 24.33 H new ATOM 0 HZ2 LYS A 14 -18.482 -27.761 -5.194 1.00 24.33 H new ATOM 0 HZ3 LYS A 14 -17.443 -28.347 -6.403 1.00 24.33 H new ATOM 244 N PRO A 15 -20.893 -24.737 -10.209 1.00 53.41 N ATOM 245 CA PRO A 15 -22.233 -25.248 -9.905 1.00 14.24 C ATOM 246 C PRO A 15 -22.231 -26.212 -8.722 1.00 63.35 C ATOM 247 O PRO A 15 -23.197 -26.280 -7.964 1.00 23.14 O ATOM 248 CB PRO A 15 -22.634 -25.978 -11.189 1.00 52.41 C ATOM 249 CG PRO A 15 -21.344 -26.360 -11.827 1.00 21.44 C ATOM 250 CD PRO A 15 -20.370 -25.268 -11.479 1.00 35.40 C ATOM 0 HA PRO A 15 -22.919 -24.450 -9.620 1.00 14.24 H new ATOM 0 HB2 PRO A 15 -23.243 -26.855 -10.972 1.00 52.41 H new ATOM 0 HB3 PRO A 15 -23.223 -25.335 -11.842 1.00 52.41 H new ATOM 0 HG2 PRO A 15 -20.997 -27.325 -11.458 1.00 21.44 H new ATOM 0 HG3 PRO A 15 -21.456 -26.454 -12.907 1.00 21.44 H new ATOM 0 HD2 PRO A 15 -19.357 -25.654 -11.366 1.00 35.40 H new ATOM 0 HD3 PRO A 15 -20.334 -24.500 -12.252 1.00 35.40 H new ATOM 258 N ALA A 16 -21.139 -26.954 -8.572 1.00 61.14 N ATOM 259 CA ALA A 16 -21.010 -27.913 -7.482 1.00 11.42 C ATOM 260 C ALA A 16 -20.720 -27.206 -6.162 1.00 41.43 C ATOM 261 O ALA A 16 -20.196 -26.092 -6.145 1.00 2.34 O ATOM 262 CB ALA A 16 -19.916 -28.923 -7.793 1.00 75.24 C ATOM 0 H ALA A 16 -20.330 -26.909 -9.192 1.00 61.14 H new ATOM 0 HA ALA A 16 -21.958 -28.441 -7.382 1.00 11.42 H new ATOM 0 HB1 ALA A 16 -19.831 -29.633 -6.970 1.00 75.24 H new ATOM 0 HB2 ALA A 16 -20.165 -29.458 -8.709 1.00 75.24 H new ATOM 0 HB3 ALA A 16 -18.967 -28.403 -7.923 1.00 75.24 H new ATOM 268 N LYS A 17 -21.065 -27.860 -5.058 1.00 11.51 N ATOM 269 CA LYS A 17 -20.841 -27.294 -3.732 1.00 41.10 C ATOM 270 C LYS A 17 -20.187 -28.317 -2.809 1.00 2.22 C ATOM 271 O LYS A 17 -19.291 -27.984 -2.032 1.00 52.14 O ATOM 272 CB LYS A 17 -22.164 -26.818 -3.129 1.00 24.25 C ATOM 273 CG LYS A 17 -22.782 -25.643 -3.867 1.00 24.43 C ATOM 274 CD LYS A 17 -24.255 -25.485 -3.531 1.00 11.14 C ATOM 275 CE LYS A 17 -24.449 -24.781 -2.196 1.00 42.30 C ATOM 276 NZ LYS A 17 -24.429 -23.299 -2.344 1.00 41.24 N ATOM 0 H LYS A 17 -21.501 -28.782 -5.055 1.00 11.51 H new ATOM 0 HA LYS A 17 -20.169 -26.442 -3.835 1.00 41.10 H new ATOM 0 HB2 LYS A 17 -22.871 -27.647 -3.127 1.00 24.25 H new ATOM 0 HB3 LYS A 17 -21.999 -26.537 -2.089 1.00 24.25 H new ATOM 0 HG2 LYS A 17 -22.249 -24.728 -3.608 1.00 24.43 H new ATOM 0 HG3 LYS A 17 -22.666 -25.786 -4.941 1.00 24.43 H new ATOM 0 HD2 LYS A 17 -24.750 -24.917 -4.319 1.00 11.14 H new ATOM 0 HD3 LYS A 17 -24.729 -26.466 -3.499 1.00 11.14 H new ATOM 0 HE2 LYS A 17 -25.398 -25.090 -1.757 1.00 42.30 H new ATOM 0 HE3 LYS A 17 -23.663 -25.088 -1.506 1.00 42.30 H new ATOM 0 HZ1 LYS A 17 -24.564 -22.855 -1.413 1.00 41.24 H new ATOM 0 HZ2 LYS A 17 -23.514 -23.002 -2.740 1.00 41.24 H new ATOM 0 HZ3 LYS A 17 -25.195 -23.004 -2.983 1.00 41.24 H new ATOM 290 N SER A 18 -20.640 -29.563 -2.898 1.00 60.42 N ATOM 291 CA SER A 18 -20.100 -30.634 -2.068 1.00 74.33 C ATOM 292 C SER A 18 -19.651 -31.812 -2.927 1.00 23.31 C ATOM 293 O SER A 18 -19.909 -32.971 -2.599 1.00 35.22 O ATOM 294 CB SER A 18 -21.147 -31.099 -1.053 1.00 40.34 C ATOM 295 OG SER A 18 -21.836 -29.995 -0.492 1.00 74.00 O ATOM 0 H SER A 18 -21.380 -29.856 -3.536 1.00 60.42 H new ATOM 0 HA SER A 18 -19.234 -30.244 -1.533 1.00 74.33 H new ATOM 0 HB2 SER A 18 -21.858 -31.767 -1.539 1.00 40.34 H new ATOM 0 HB3 SER A 18 -20.662 -31.670 -0.261 1.00 40.34 H new ATOM 0 HG SER A 18 -22.501 -30.317 0.152 1.00 74.00 H new ATOM 301 N THR A 19 -18.974 -31.509 -4.031 1.00 52.53 N ATOM 302 CA THR A 19 -18.489 -32.540 -4.939 1.00 22.53 C ATOM 303 C THR A 19 -19.597 -33.524 -5.296 1.00 51.11 C ATOM 304 O THR A 19 -19.380 -34.735 -5.324 1.00 55.24 O ATOM 305 CB THR A 19 -17.308 -33.317 -4.326 1.00 5.04 C ATOM 306 OG1 THR A 19 -17.785 -34.234 -3.336 1.00 31.24 O ATOM 307 CG2 THR A 19 -16.302 -32.365 -3.698 1.00 43.44 C ATOM 0 H THR A 19 -18.749 -30.556 -4.317 1.00 52.53 H new ATOM 0 HA THR A 19 -18.152 -32.032 -5.843 1.00 22.53 H new ATOM 0 HB THR A 19 -16.813 -33.870 -5.124 1.00 5.04 H new ATOM 0 HG1 THR A 19 -18.726 -34.044 -3.140 1.00 31.24 H new ATOM 0 HG21 THR A 19 -15.477 -32.936 -3.272 1.00 43.44 H new ATOM 0 HG22 THR A 19 -15.918 -31.687 -4.460 1.00 43.44 H new ATOM 0 HG23 THR A 19 -16.789 -31.788 -2.911 1.00 43.44 H new ATOM 315 N MET A 20 -20.786 -32.996 -5.569 1.00 45.44 N ATOM 316 CA MET A 20 -21.929 -33.828 -5.927 1.00 63.31 C ATOM 317 C MET A 20 -21.940 -34.119 -7.425 1.00 15.33 C ATOM 318 O MET A 20 -21.623 -35.228 -7.853 1.00 62.30 O ATOM 319 CB MET A 20 -23.234 -33.143 -5.518 1.00 31.22 C ATOM 320 CG MET A 20 -23.423 -33.045 -4.014 1.00 10.23 C ATOM 321 SD MET A 20 -25.039 -32.389 -3.558 1.00 11.55 S ATOM 322 CE MET A 20 -25.063 -32.738 -1.801 1.00 54.24 C ATOM 0 H MET A 20 -20.983 -31.995 -5.549 1.00 45.44 H new ATOM 0 HA MET A 20 -21.841 -34.773 -5.392 1.00 63.31 H new ATOM 0 HB2 MET A 20 -23.258 -32.140 -5.945 1.00 31.22 H new ATOM 0 HB3 MET A 20 -24.073 -33.692 -5.946 1.00 31.22 H new ATOM 0 HG2 MET A 20 -23.298 -34.033 -3.571 1.00 10.23 H new ATOM 0 HG3 MET A 20 -22.645 -32.407 -3.595 1.00 10.23 H new ATOM 0 HE1 MET A 20 -26.003 -32.390 -1.374 1.00 54.24 H new ATOM 0 HE2 MET A 20 -24.968 -33.812 -1.642 1.00 54.24 H new ATOM 0 HE3 MET A 20 -24.232 -32.225 -1.317 1.00 54.24 H new ATOM 332 N GLN A 21 -22.310 -33.116 -8.214 1.00 65.14 N ATOM 333 CA GLN A 21 -22.364 -33.266 -9.664 1.00 2.11 C ATOM 334 C GLN A 21 -21.458 -32.250 -10.351 1.00 72.10 C ATOM 335 O GLN A 21 -20.736 -31.502 -9.693 1.00 31.15 O ATOM 336 CB GLN A 21 -23.801 -33.103 -10.161 1.00 74.52 C ATOM 337 CG GLN A 21 -24.745 -34.186 -9.661 1.00 30.14 C ATOM 338 CD GLN A 21 -24.549 -35.507 -10.378 1.00 62.13 C ATOM 339 OE1 GLN A 21 -24.684 -35.590 -11.599 1.00 64.23 O ATOM 340 NE2 GLN A 21 -24.230 -36.551 -9.621 1.00 71.15 N ATOM 0 H GLN A 21 -22.577 -32.192 -7.875 1.00 65.14 H new ATOM 0 HA GLN A 21 -22.011 -34.267 -9.914 1.00 2.11 H new ATOM 0 HB2 GLN A 21 -24.178 -32.130 -9.845 1.00 74.52 H new ATOM 0 HB3 GLN A 21 -23.802 -33.107 -11.251 1.00 74.52 H new ATOM 0 HG2 GLN A 21 -24.592 -34.331 -8.592 1.00 30.14 H new ATOM 0 HG3 GLN A 21 -25.775 -33.854 -9.793 1.00 30.14 H new ATOM 0 HE21 GLN A 21 -24.128 -36.438 -8.612 1.00 71.15 H new ATOM 0 HE22 GLN A 21 -24.087 -37.466 -10.048 1.00 71.15 H new ATOM 349 N SER A 22 -21.501 -32.228 -11.679 1.00 54.23 N ATOM 350 CA SER A 22 -20.681 -31.306 -12.457 1.00 21.31 C ATOM 351 C SER A 22 -21.552 -30.294 -13.196 1.00 21.45 C ATOM 352 O SER A 22 -21.632 -29.128 -12.811 1.00 25.24 O ATOM 353 CB SER A 22 -19.817 -32.078 -13.455 1.00 42.31 C ATOM 354 OG SER A 22 -20.595 -33.001 -14.197 1.00 12.11 O ATOM 0 H SER A 22 -22.095 -32.839 -12.240 1.00 54.23 H new ATOM 0 HA SER A 22 -20.033 -30.765 -11.768 1.00 21.31 H new ATOM 0 HB2 SER A 22 -19.329 -31.379 -14.135 1.00 42.31 H new ATOM 0 HB3 SER A 22 -19.027 -32.608 -12.923 1.00 42.31 H new ATOM 0 HG SER A 22 -20.019 -33.480 -14.829 1.00 12.11 H new ATOM 360 N GLY A 23 -22.205 -30.751 -14.259 1.00 43.45 N ATOM 361 CA GLY A 23 -23.062 -29.874 -15.036 1.00 41.51 C ATOM 362 C GLY A 23 -23.681 -30.576 -16.229 1.00 13.23 C ATOM 363 O GLY A 23 -23.050 -31.431 -16.851 1.00 60.22 O ATOM 0 H GLY A 23 -22.156 -31.712 -14.596 1.00 43.45 H new ATOM 0 HA2 GLY A 23 -23.854 -29.485 -14.396 1.00 41.51 H new ATOM 0 HA3 GLY A 23 -22.483 -29.018 -15.382 1.00 41.51 H new ATOM 367 N HIS A 24 -24.920 -30.215 -16.548 1.00 44.53 N ATOM 368 CA HIS A 24 -25.625 -30.817 -17.674 1.00 31.23 C ATOM 369 C HIS A 24 -26.693 -29.871 -18.215 1.00 21.12 C ATOM 370 O HIS A 24 -26.821 -28.736 -17.755 1.00 62.43 O ATOM 371 CB HIS A 24 -26.266 -32.140 -17.253 1.00 64.34 C ATOM 372 CG HIS A 24 -25.283 -33.263 -17.114 1.00 54.33 C ATOM 373 ND1 HIS A 24 -25.109 -33.968 -15.943 1.00 21.32 N ATOM 374 CD2 HIS A 24 -24.423 -33.802 -18.008 1.00 63.12 C ATOM 375 CE1 HIS A 24 -24.182 -34.892 -16.121 1.00 62.13 C ATOM 376 NE2 HIS A 24 -23.749 -34.812 -17.367 1.00 63.01 N ATOM 0 H HIS A 24 -25.456 -29.509 -16.043 1.00 44.53 H new ATOM 0 HA HIS A 24 -24.899 -31.008 -18.465 1.00 31.23 H new ATOM 0 HB2 HIS A 24 -26.781 -31.999 -16.303 1.00 64.34 H new ATOM 0 HB3 HIS A 24 -27.022 -32.418 -17.987 1.00 64.34 H new ATOM 0 HD2 HIS A 24 -24.291 -33.495 -19.035 1.00 63.12 H new ATOM 0 HE1 HIS A 24 -23.837 -35.593 -15.376 1.00 62.13 H new ATOM 0 HE2 HIS A 24 -23.031 -35.404 -17.785 1.00 63.01 H new ATOM 384 N SER A 25 -27.457 -30.346 -19.193 1.00 52.01 N ATOM 385 CA SER A 25 -28.511 -29.541 -19.800 1.00 70.31 C ATOM 386 C SER A 25 -29.620 -29.250 -18.793 1.00 44.40 C ATOM 387 O SER A 25 -30.576 -30.014 -18.667 1.00 60.32 O ATOM 388 CB SER A 25 -29.090 -30.257 -21.022 1.00 13.22 C ATOM 389 OG SER A 25 -28.062 -30.671 -21.905 1.00 53.00 O ATOM 0 H SER A 25 -27.366 -31.284 -19.582 1.00 52.01 H new ATOM 0 HA SER A 25 -28.074 -28.594 -20.117 1.00 70.31 H new ATOM 0 HB2 SER A 25 -29.668 -31.123 -20.700 1.00 13.22 H new ATOM 0 HB3 SER A 25 -29.777 -29.592 -21.545 1.00 13.22 H new ATOM 0 HG SER A 25 -28.458 -31.127 -22.677 1.00 53.00 H new ATOM 395 N LYS A 26 -29.484 -28.138 -18.078 1.00 22.55 N ATOM 396 CA LYS A 26 -30.473 -27.744 -17.082 1.00 53.52 C ATOM 397 C LYS A 26 -30.477 -26.230 -16.891 1.00 51.11 C ATOM 398 O LYS A 26 -29.762 -25.504 -17.582 1.00 22.53 O ATOM 399 CB LYS A 26 -30.189 -28.436 -15.748 1.00 21.11 C ATOM 400 CG LYS A 26 -30.568 -29.907 -15.733 1.00 3.12 C ATOM 401 CD LYS A 26 -29.369 -30.794 -16.026 1.00 11.21 C ATOM 402 CE LYS A 26 -29.789 -32.100 -16.683 1.00 41.14 C ATOM 403 NZ LYS A 26 -28.987 -33.253 -16.190 1.00 73.31 N ATOM 0 H LYS A 26 -28.698 -27.494 -18.170 1.00 22.55 H new ATOM 0 HA LYS A 26 -31.455 -28.051 -17.440 1.00 53.52 H new ATOM 0 HB2 LYS A 26 -29.128 -28.340 -15.517 1.00 21.11 H new ATOM 0 HB3 LYS A 26 -30.735 -27.921 -14.958 1.00 21.11 H new ATOM 0 HG2 LYS A 26 -30.985 -30.167 -14.760 1.00 3.12 H new ATOM 0 HG3 LYS A 26 -31.347 -30.091 -16.473 1.00 3.12 H new ATOM 0 HD2 LYS A 26 -28.674 -30.265 -16.678 1.00 11.21 H new ATOM 0 HD3 LYS A 26 -28.837 -31.007 -15.099 1.00 11.21 H new ATOM 0 HE2 LYS A 26 -30.845 -32.282 -16.486 1.00 41.14 H new ATOM 0 HE3 LYS A 26 -29.676 -32.015 -17.764 1.00 41.14 H new ATOM 0 HZ1 LYS A 26 -28.459 -33.673 -16.982 1.00 73.31 H new ATOM 0 HZ2 LYS A 26 -28.319 -32.926 -15.463 1.00 73.31 H new ATOM 0 HZ3 LYS A 26 -29.622 -33.967 -15.780 1.00 73.31 H new ATOM 417 N LEU A 27 -31.287 -25.760 -15.947 1.00 44.04 N ATOM 418 CA LEU A 27 -31.383 -24.332 -15.664 1.00 3.13 C ATOM 419 C LEU A 27 -30.034 -23.772 -15.226 1.00 23.23 C ATOM 420 O LEU A 27 -29.007 -24.445 -15.327 1.00 51.11 O ATOM 421 CB LEU A 27 -32.431 -24.078 -14.579 1.00 1.23 C ATOM 422 CG LEU A 27 -33.793 -24.739 -14.792 1.00 63.20 C ATOM 423 CD1 LEU A 27 -34.628 -24.664 -13.524 1.00 3.52 C ATOM 424 CD2 LEU A 27 -34.526 -24.088 -15.955 1.00 61.13 C ATOM 0 H LEU A 27 -31.886 -26.347 -15.366 1.00 44.04 H new ATOM 0 HA LEU A 27 -31.686 -23.824 -16.580 1.00 3.13 H new ATOM 0 HB2 LEU A 27 -32.028 -24.421 -13.626 1.00 1.23 H new ATOM 0 HB3 LEU A 27 -32.582 -23.002 -14.493 1.00 1.23 H new ATOM 0 HG LEU A 27 -33.631 -25.790 -15.033 1.00 63.20 H new ATOM 0 HD11 LEU A 27 -35.594 -25.140 -13.696 1.00 3.52 H new ATOM 0 HD12 LEU A 27 -34.109 -25.178 -12.715 1.00 3.52 H new ATOM 0 HD13 LEU A 27 -34.781 -23.620 -13.251 1.00 3.52 H new ATOM 0 HD21 LEU A 27 -35.493 -24.571 -16.092 1.00 61.13 H new ATOM 0 HD22 LEU A 27 -34.676 -23.029 -15.744 1.00 61.13 H new ATOM 0 HD23 LEU A 27 -33.935 -24.196 -16.864 1.00 61.13 H new ATOM 436 N LYS A 28 -30.043 -22.537 -14.736 1.00 1.25 N ATOM 437 CA LYS A 28 -28.821 -21.887 -14.277 1.00 3.53 C ATOM 438 C LYS A 28 -28.064 -22.778 -13.298 1.00 1.14 C ATOM 439 O LYS A 28 -28.552 -23.073 -12.208 1.00 72.30 O ATOM 440 CB LYS A 28 -29.150 -20.547 -13.614 1.00 71.21 C ATOM 441 CG LYS A 28 -29.924 -19.597 -14.512 1.00 31.31 C ATOM 442 CD LYS A 28 -30.928 -18.776 -13.722 1.00 21.13 C ATOM 443 CE LYS A 28 -31.136 -17.403 -14.340 1.00 3.41 C ATOM 444 NZ LYS A 28 -32.105 -17.443 -15.469 1.00 71.44 N ATOM 0 H LYS A 28 -30.883 -21.966 -14.646 1.00 1.25 H new ATOM 0 HA LYS A 28 -28.186 -21.710 -15.145 1.00 3.53 H new ATOM 0 HB2 LYS A 28 -29.729 -20.731 -12.709 1.00 71.21 H new ATOM 0 HB3 LYS A 28 -28.222 -20.066 -13.305 1.00 71.21 H new ATOM 0 HG2 LYS A 28 -29.229 -18.930 -15.023 1.00 31.31 H new ATOM 0 HG3 LYS A 28 -30.444 -20.166 -15.283 1.00 31.31 H new ATOM 0 HD2 LYS A 28 -31.880 -19.305 -13.681 1.00 21.13 H new ATOM 0 HD3 LYS A 28 -30.580 -18.665 -12.695 1.00 21.13 H new ATOM 0 HE2 LYS A 28 -31.496 -16.712 -13.577 1.00 3.41 H new ATOM 0 HE3 LYS A 28 -30.181 -17.016 -14.695 1.00 3.41 H new ATOM 0 HZ1 LYS A 28 -32.219 -16.487 -15.863 1.00 71.44 H new ATOM 0 HZ2 LYS A 28 -31.750 -18.082 -16.209 1.00 71.44 H new ATOM 0 HZ3 LYS A 28 -33.024 -17.788 -15.126 1.00 71.44 H new ATOM 458 N ALA A 29 -26.869 -23.202 -13.694 1.00 5.24 N ATOM 459 CA ALA A 29 -26.043 -24.057 -12.850 1.00 23.03 C ATOM 460 C ALA A 29 -24.840 -23.294 -12.306 1.00 4.31 C ATOM 461 O ALA A 29 -24.433 -23.492 -11.161 1.00 22.33 O ATOM 462 CB ALA A 29 -25.585 -25.282 -13.626 1.00 55.15 C ATOM 0 H ALA A 29 -26.451 -22.967 -14.594 1.00 5.24 H new ATOM 0 HA ALA A 29 -26.648 -24.382 -12.004 1.00 23.03 H new ATOM 0 HB1 ALA A 29 -24.969 -25.911 -12.983 1.00 55.15 H new ATOM 0 HB2 ALA A 29 -26.455 -25.847 -13.961 1.00 55.15 H new ATOM 0 HB3 ALA A 29 -25.002 -24.967 -14.492 1.00 55.15 H new ATOM 468 N TRP A 30 -24.275 -22.422 -13.133 1.00 51.25 N ATOM 469 CA TRP A 30 -23.117 -21.630 -12.734 1.00 52.50 C ATOM 470 C TRP A 30 -23.551 -20.340 -12.046 1.00 41.00 C ATOM 471 O TRP A 30 -24.637 -19.820 -12.306 1.00 3.23 O ATOM 472 CB TRP A 30 -22.251 -21.305 -13.952 1.00 61.21 C ATOM 473 CG TRP A 30 -21.369 -22.441 -14.373 1.00 2.21 C ATOM 474 CD1 TRP A 30 -21.742 -23.554 -15.069 1.00 64.32 C ATOM 475 CD2 TRP A 30 -19.965 -22.574 -14.122 1.00 12.12 C ATOM 476 NE1 TRP A 30 -20.655 -24.373 -15.267 1.00 11.44 N ATOM 477 CE2 TRP A 30 -19.553 -23.793 -14.695 1.00 52.40 C ATOM 478 CE3 TRP A 30 -19.017 -21.782 -13.471 1.00 24.24 C ATOM 479 CZ2 TRP A 30 -18.235 -24.236 -14.635 1.00 1.41 C ATOM 480 CZ3 TRP A 30 -17.708 -22.223 -13.411 1.00 35.15 C ATOM 481 CH2 TRP A 30 -17.327 -23.440 -13.991 1.00 11.03 C ATOM 0 H TRP A 30 -24.600 -22.245 -14.084 1.00 51.25 H new ATOM 0 HA TRP A 30 -22.532 -22.219 -12.027 1.00 52.50 H new ATOM 0 HB2 TRP A 30 -22.897 -21.028 -14.785 1.00 61.21 H new ATOM 0 HB3 TRP A 30 -21.631 -20.437 -13.727 1.00 61.21 H new ATOM 0 HD1 TRP A 30 -22.744 -23.761 -15.414 1.00 64.32 H new ATOM 0 HE1 TRP A 30 -20.667 -25.266 -15.759 1.00 11.44 H new ATOM 0 HE3 TRP A 30 -19.301 -20.842 -13.022 1.00 24.24 H new ATOM 0 HZ2 TRP A 30 -17.939 -25.174 -15.081 1.00 1.41 H new ATOM 0 HZ3 TRP A 30 -16.967 -21.619 -12.909 1.00 35.15 H new ATOM 0 HH2 TRP A 30 -16.296 -23.756 -13.929 1.00 11.03 H new ATOM 492 N LYS A 31 -22.697 -19.827 -11.167 1.00 75.21 N ATOM 493 CA LYS A 31 -22.991 -18.597 -10.442 1.00 20.04 C ATOM 494 C LYS A 31 -22.123 -17.448 -10.945 1.00 72.13 C ATOM 495 O LYS A 31 -20.978 -17.652 -11.350 1.00 31.23 O ATOM 496 CB LYS A 31 -22.768 -18.799 -8.942 1.00 14.23 C ATOM 497 CG LYS A 31 -24.030 -19.178 -8.185 1.00 23.03 C ATOM 498 CD LYS A 31 -23.866 -18.970 -6.688 1.00 12.12 C ATOM 499 CE LYS A 31 -25.106 -19.411 -5.926 1.00 10.54 C ATOM 500 NZ LYS A 31 -26.257 -18.496 -6.161 1.00 22.24 N ATOM 0 H LYS A 31 -21.795 -20.245 -10.939 1.00 75.21 H new ATOM 0 HA LYS A 31 -24.036 -18.343 -10.617 1.00 20.04 H new ATOM 0 HB2 LYS A 31 -22.019 -19.578 -8.796 1.00 14.23 H new ATOM 0 HB3 LYS A 31 -22.361 -17.882 -8.517 1.00 14.23 H new ATOM 0 HG2 LYS A 31 -24.866 -18.580 -8.547 1.00 23.03 H new ATOM 0 HG3 LYS A 31 -24.275 -20.221 -8.384 1.00 23.03 H new ATOM 0 HD2 LYS A 31 -23.001 -19.531 -6.334 1.00 12.12 H new ATOM 0 HD3 LYS A 31 -23.668 -17.918 -6.485 1.00 12.12 H new ATOM 0 HE2 LYS A 31 -25.378 -20.422 -6.229 1.00 10.54 H new ATOM 0 HE3 LYS A 31 -24.883 -19.447 -4.860 1.00 10.54 H new ATOM 0 HZ1 LYS A 31 -27.062 -18.792 -5.572 1.00 22.24 H new ATOM 0 HZ2 LYS A 31 -25.984 -17.524 -5.912 1.00 22.24 H new ATOM 0 HZ3 LYS A 31 -26.530 -18.532 -7.164 1.00 22.24 H new ATOM 514 N LEU A 32 -22.675 -16.240 -10.915 1.00 43.35 N ATOM 515 CA LEU A 32 -21.950 -15.056 -11.367 1.00 64.23 C ATOM 516 C LEU A 32 -22.299 -13.844 -10.511 1.00 13.35 C ATOM 517 O LEU A 32 -23.456 -13.643 -10.145 1.00 73.51 O ATOM 518 CB LEU A 32 -22.270 -14.768 -12.835 1.00 31.44 C ATOM 519 CG LEU A 32 -21.423 -13.686 -13.507 1.00 33.11 C ATOM 520 CD1 LEU A 32 -21.899 -12.302 -13.091 1.00 13.24 C ATOM 521 CD2 LEU A 32 -19.952 -13.871 -13.165 1.00 73.31 C ATOM 0 H LEU A 32 -23.621 -16.054 -10.583 1.00 43.35 H new ATOM 0 HA LEU A 32 -20.883 -15.253 -11.266 1.00 64.23 H new ATOM 0 HB2 LEU A 32 -22.156 -15.693 -13.399 1.00 31.44 H new ATOM 0 HB3 LEU A 32 -23.318 -14.478 -12.907 1.00 31.44 H new ATOM 0 HG LEU A 32 -21.538 -13.779 -14.587 1.00 33.11 H new ATOM 0 HD11 LEU A 32 -21.285 -11.544 -13.578 1.00 13.24 H new ATOM 0 HD12 LEU A 32 -22.940 -12.171 -13.387 1.00 13.24 H new ATOM 0 HD13 LEU A 32 -21.813 -12.198 -12.009 1.00 13.24 H new ATOM 0 HD21 LEU A 32 -19.365 -13.092 -13.652 1.00 73.31 H new ATOM 0 HD22 LEU A 32 -19.818 -13.805 -12.085 1.00 73.31 H new ATOM 0 HD23 LEU A 32 -19.618 -14.848 -13.513 1.00 73.31 H new ATOM 533 N GLU A 33 -21.289 -13.037 -10.197 1.00 32.24 N ATOM 534 CA GLU A 33 -21.492 -11.843 -9.385 1.00 3.25 C ATOM 535 C GLU A 33 -20.459 -10.773 -9.724 1.00 44.25 C ATOM 536 O GLU A 33 -19.278 -10.910 -9.404 1.00 2.23 O ATOM 537 CB GLU A 33 -21.410 -12.192 -7.896 1.00 43.33 C ATOM 538 CG GLU A 33 -22.082 -11.170 -6.995 1.00 5.43 C ATOM 539 CD GLU A 33 -21.223 -9.942 -6.764 1.00 52.34 C ATOM 540 OE1 GLU A 33 -19.988 -10.043 -6.914 1.00 23.04 O ATOM 541 OE2 GLU A 33 -21.788 -8.878 -6.434 1.00 0.41 O ATOM 0 H GLU A 33 -20.324 -13.188 -10.492 1.00 32.24 H new ATOM 0 HA GLU A 33 -22.484 -11.449 -9.605 1.00 3.25 H new ATOM 0 HB2 GLU A 33 -21.871 -13.166 -7.734 1.00 43.33 H new ATOM 0 HB3 GLU A 33 -20.362 -12.283 -7.610 1.00 43.33 H new ATOM 0 HG2 GLU A 33 -23.030 -10.867 -7.439 1.00 5.43 H new ATOM 0 HG3 GLU A 33 -22.313 -11.633 -6.036 1.00 5.43 H new ATOM 548 N PHE A 34 -20.912 -9.707 -10.377 1.00 31.43 N ATOM 549 CA PHE A 34 -20.027 -8.614 -10.762 1.00 73.14 C ATOM 550 C PHE A 34 -19.934 -7.573 -9.651 1.00 21.24 C ATOM 551 O PHE A 34 -20.937 -7.220 -9.032 1.00 2.33 O ATOM 552 CB PHE A 34 -20.527 -7.957 -12.051 1.00 42.40 C ATOM 553 CG PHE A 34 -21.897 -7.355 -11.926 1.00 14.15 C ATOM 554 CD1 PHE A 34 -22.059 -6.060 -11.457 1.00 35.31 C ATOM 555 CD2 PHE A 34 -23.023 -8.082 -12.276 1.00 52.12 C ATOM 556 CE1 PHE A 34 -23.319 -5.505 -11.339 1.00 4.55 C ATOM 557 CE2 PHE A 34 -24.286 -7.531 -12.161 1.00 3.54 C ATOM 558 CZ PHE A 34 -24.434 -6.240 -11.693 1.00 5.33 C ATOM 0 H PHE A 34 -21.886 -9.577 -10.650 1.00 31.43 H new ATOM 0 HA PHE A 34 -19.033 -9.027 -10.933 1.00 73.14 H new ATOM 0 HB2 PHE A 34 -19.823 -7.180 -12.349 1.00 42.40 H new ATOM 0 HB3 PHE A 34 -20.537 -8.701 -12.848 1.00 42.40 H new ATOM 0 HD1 PHE A 34 -21.191 -5.479 -11.181 1.00 35.31 H new ATOM 0 HD2 PHE A 34 -22.913 -9.092 -12.643 1.00 52.12 H new ATOM 0 HE1 PHE A 34 -23.432 -4.496 -10.970 1.00 4.55 H new ATOM 0 HE2 PHE A 34 -25.155 -8.109 -12.437 1.00 3.54 H new ATOM 0 HZ PHE A 34 -25.419 -5.806 -11.604 1.00 5.33 H new ATOM 568 N GLU A 35 -18.720 -7.087 -9.405 1.00 15.11 N ATOM 569 CA GLU A 35 -18.495 -6.088 -8.367 1.00 14.12 C ATOM 570 C GLU A 35 -18.961 -4.709 -8.828 1.00 23.10 C ATOM 571 O GLU A 35 -19.114 -4.445 -10.021 1.00 5.10 O ATOM 572 CB GLU A 35 -17.014 -6.037 -7.989 1.00 64.31 C ATOM 573 CG GLU A 35 -16.627 -7.034 -6.908 1.00 40.32 C ATOM 574 CD GLU A 35 -17.415 -6.839 -5.628 1.00 35.24 C ATOM 575 OE1 GLU A 35 -16.982 -6.032 -4.780 1.00 51.00 O ATOM 576 OE2 GLU A 35 -18.467 -7.496 -5.474 1.00 43.12 O ATOM 0 H GLU A 35 -17.880 -7.369 -9.910 1.00 15.11 H new ATOM 0 HA GLU A 35 -19.077 -6.375 -7.491 1.00 14.12 H new ATOM 0 HB2 GLU A 35 -16.414 -6.227 -8.879 1.00 64.31 H new ATOM 0 HB3 GLU A 35 -16.769 -5.031 -7.648 1.00 64.31 H new ATOM 0 HG2 GLU A 35 -16.787 -8.047 -7.278 1.00 40.32 H new ATOM 0 HG3 GLU A 35 -15.563 -6.937 -6.694 1.00 40.32 H new ATOM 583 N PRO A 36 -19.192 -3.809 -7.861 1.00 61.10 N ATOM 584 CA PRO A 36 -19.643 -2.443 -8.144 1.00 34.44 C ATOM 585 C PRO A 36 -18.559 -1.599 -8.805 1.00 24.43 C ATOM 586 O PRO A 36 -17.505 -2.111 -9.182 1.00 65.22 O ATOM 587 CB PRO A 36 -19.982 -1.888 -6.757 1.00 63.12 C ATOM 588 CG PRO A 36 -19.142 -2.682 -5.816 1.00 51.11 C ATOM 589 CD PRO A 36 -19.031 -4.056 -6.419 1.00 4.30 C ATOM 0 HA PRO A 36 -20.480 -2.426 -8.842 1.00 34.44 H new ATOM 0 HB2 PRO A 36 -19.754 -0.824 -6.690 1.00 63.12 H new ATOM 0 HB3 PRO A 36 -21.043 -2.002 -6.533 1.00 63.12 H new ATOM 0 HG2 PRO A 36 -18.158 -2.229 -5.694 1.00 51.11 H new ATOM 0 HG3 PRO A 36 -19.598 -2.725 -4.827 1.00 51.11 H new ATOM 0 HD2 PRO A 36 -18.069 -4.517 -6.195 1.00 4.30 H new ATOM 0 HD3 PRO A 36 -19.802 -4.726 -6.037 1.00 4.30 H new ATOM 597 N SER A 37 -18.824 -0.304 -8.941 1.00 75.04 N ATOM 598 CA SER A 37 -17.872 0.610 -9.560 1.00 51.52 C ATOM 599 C SER A 37 -17.681 1.858 -8.703 1.00 62.24 C ATOM 600 O SER A 37 -18.431 2.094 -7.756 1.00 23.12 O ATOM 601 CB SER A 37 -18.349 1.006 -10.960 1.00 4.24 C ATOM 602 OG SER A 37 -19.764 1.034 -11.027 1.00 23.52 O ATOM 0 H SER A 37 -19.690 0.136 -8.631 1.00 75.04 H new ATOM 0 HA SER A 37 -16.914 0.097 -9.642 1.00 51.52 H new ATOM 0 HB2 SER A 37 -17.950 1.986 -11.220 1.00 4.24 H new ATOM 0 HB3 SER A 37 -17.961 0.299 -11.693 1.00 4.24 H new ATOM 0 HG SER A 37 -20.044 1.291 -11.930 1.00 23.52 H new ATOM 608 N CYS A 38 -16.672 2.653 -9.044 1.00 75.33 N ATOM 609 CA CYS A 38 -16.380 3.876 -8.306 1.00 51.32 C ATOM 610 C CYS A 38 -16.663 5.107 -9.161 1.00 2.01 C ATOM 611 O CYS A 38 -15.991 6.132 -9.037 1.00 32.42 O ATOM 612 CB CYS A 38 -14.922 3.884 -7.846 1.00 3.32 C ATOM 613 SG CYS A 38 -13.726 3.634 -9.179 1.00 1.42 S ATOM 0 H CYS A 38 -16.043 2.472 -9.826 1.00 75.33 H new ATOM 0 HA CYS A 38 -17.029 3.906 -7.431 1.00 51.32 H new ATOM 0 HB2 CYS A 38 -14.712 4.835 -7.357 1.00 3.32 H new ATOM 0 HB3 CYS A 38 -14.784 3.104 -7.097 1.00 3.32 H new ATOM 0 HG CYS A 38 -12.521 3.659 -8.691 1.00 1.42 H new ATOM 619 N THR A 39 -17.662 5.000 -10.032 1.00 62.34 N ATOM 620 CA THR A 39 -18.031 6.103 -10.911 1.00 31.23 C ATOM 621 C THR A 39 -19.289 6.805 -10.412 1.00 3.14 C ATOM 622 O THR A 39 -19.509 7.981 -10.701 1.00 73.42 O ATOM 623 CB THR A 39 -18.268 5.617 -12.354 1.00 32.13 C ATOM 624 OG1 THR A 39 -19.446 4.804 -12.410 1.00 40.55 O ATOM 625 CG2 THR A 39 -17.073 4.822 -12.859 1.00 43.40 C ATOM 0 H THR A 39 -18.230 4.161 -10.147 1.00 62.34 H new ATOM 0 HA THR A 39 -17.197 6.805 -10.904 1.00 31.23 H new ATOM 0 HB THR A 39 -18.400 6.491 -12.992 1.00 32.13 H new ATOM 0 HG1 THR A 39 -19.591 4.501 -13.331 1.00 40.55 H new ATOM 0 HG21 THR A 39 -17.263 4.489 -13.879 1.00 43.40 H new ATOM 0 HG22 THR A 39 -16.184 5.452 -12.842 1.00 43.40 H new ATOM 0 HG23 THR A 39 -16.916 3.955 -12.218 1.00 43.40 H new ATOM 633 N GLN A 40 -20.108 6.077 -9.659 1.00 52.51 N ATOM 634 CA GLN A 40 -21.344 6.633 -9.120 1.00 51.32 C ATOM 635 C GLN A 40 -22.251 7.134 -10.240 1.00 2.03 C ATOM 636 O GLN A 40 -22.944 8.140 -10.088 1.00 30.15 O ATOM 637 CB GLN A 40 -21.034 7.776 -8.150 1.00 65.43 C ATOM 638 CG GLN A 40 -20.166 7.356 -6.974 1.00 43.44 C ATOM 639 CD GLN A 40 -19.950 8.479 -5.979 1.00 33.13 C ATOM 640 OE1 GLN A 40 -18.922 9.156 -6.002 1.00 64.02 O ATOM 641 NE2 GLN A 40 -20.922 8.683 -5.097 1.00 51.32 N ATOM 0 H GLN A 40 -19.938 5.103 -9.409 1.00 52.51 H new ATOM 0 HA GLN A 40 -21.865 5.840 -8.583 1.00 51.32 H new ATOM 0 HB2 GLN A 40 -20.533 8.577 -8.693 1.00 65.43 H new ATOM 0 HB3 GLN A 40 -21.971 8.185 -7.772 1.00 65.43 H new ATOM 0 HG2 GLN A 40 -20.632 6.511 -6.467 1.00 43.44 H new ATOM 0 HG3 GLN A 40 -19.200 7.013 -7.344 1.00 43.44 H new ATOM 0 HE21 GLN A 40 -21.757 8.098 -5.114 1.00 51.32 H new ATOM 0 HE22 GLN A 40 -20.833 9.425 -4.403 1.00 51.32 H new ATOM 650 N TYR A 41 -22.240 6.424 -11.363 1.00 52.23 N ATOM 651 CA TYR A 41 -23.061 6.799 -12.510 1.00 24.35 C ATOM 652 C TYR A 41 -24.534 6.513 -12.242 1.00 33.21 C ATOM 653 O TYR A 41 -24.922 5.373 -11.977 1.00 45.22 O ATOM 654 CB TYR A 41 -22.602 6.043 -13.759 1.00 4.33 C ATOM 655 CG TYR A 41 -22.939 6.750 -15.051 1.00 53.41 C ATOM 656 CD1 TYR A 41 -22.353 7.968 -15.374 1.00 12.11 C ATOM 657 CD2 TYR A 41 -23.846 6.202 -15.950 1.00 24.41 C ATOM 658 CE1 TYR A 41 -22.659 8.618 -16.554 1.00 44.34 C ATOM 659 CE2 TYR A 41 -24.157 6.844 -17.133 1.00 0.22 C ATOM 660 CZ TYR A 41 -23.562 8.052 -17.431 1.00 5.34 C ATOM 661 OH TYR A 41 -23.870 8.696 -18.607 1.00 24.20 O ATOM 0 H TYR A 41 -21.673 5.588 -11.504 1.00 52.23 H new ATOM 0 HA TYR A 41 -22.942 7.870 -12.676 1.00 24.35 H new ATOM 0 HB2 TYR A 41 -21.524 5.893 -13.707 1.00 4.33 H new ATOM 0 HB3 TYR A 41 -23.061 5.055 -13.765 1.00 4.33 H new ATOM 0 HD1 TYR A 41 -21.646 8.414 -14.690 1.00 12.11 H new ATOM 0 HD2 TYR A 41 -24.316 5.257 -15.720 1.00 24.41 H new ATOM 0 HE1 TYR A 41 -22.194 9.564 -16.789 1.00 44.34 H new ATOM 0 HE2 TYR A 41 -24.863 6.402 -17.821 1.00 0.22 H new ATOM 0 HH TYR A 41 -24.521 8.164 -19.111 1.00 24.20 H new ATOM 671 N THR A 42 -25.355 7.556 -12.313 1.00 72.34 N ATOM 672 CA THR A 42 -26.788 7.419 -12.079 1.00 1.12 C ATOM 673 C THR A 42 -27.517 7.008 -13.353 1.00 20.23 C ATOM 674 O THR A 42 -26.897 6.816 -14.399 1.00 10.24 O ATOM 675 CB THR A 42 -27.398 8.731 -11.552 1.00 34.31 C ATOM 676 OG1 THR A 42 -27.051 9.816 -12.419 1.00 11.52 O ATOM 677 CG2 THR A 42 -26.911 9.026 -10.141 1.00 23.14 C ATOM 0 H THR A 42 -25.052 8.505 -12.531 1.00 72.34 H new ATOM 0 HA THR A 42 -26.912 6.641 -11.326 1.00 1.12 H new ATOM 0 HB THR A 42 -28.482 8.618 -11.529 1.00 34.31 H new ATOM 0 HG1 THR A 42 -27.444 10.646 -12.078 1.00 11.52 H new ATOM 0 HG21 THR A 42 -27.355 9.957 -9.790 1.00 23.14 H new ATOM 0 HG22 THR A 42 -27.203 8.212 -9.478 1.00 23.14 H new ATOM 0 HG23 THR A 42 -25.825 9.120 -10.143 1.00 23.14 H new ATOM 685 N GLU A 43 -28.836 6.876 -13.258 1.00 54.02 N ATOM 686 CA GLU A 43 -29.649 6.488 -14.405 1.00 33.11 C ATOM 687 C GLU A 43 -31.074 7.016 -14.265 1.00 2.11 C ATOM 688 O GLU A 43 -32.018 6.268 -14.011 1.00 41.11 O ATOM 689 CB GLU A 43 -29.669 4.965 -14.551 1.00 33.21 C ATOM 690 CG GLU A 43 -30.416 4.482 -15.783 1.00 55.34 C ATOM 691 CD GLU A 43 -30.691 2.991 -15.751 1.00 75.01 C ATOM 692 OE1 GLU A 43 -30.241 2.324 -14.797 1.00 12.13 O ATOM 693 OE2 GLU A 43 -31.358 2.492 -16.682 1.00 32.11 O ATOM 0 H GLU A 43 -29.364 7.032 -12.399 1.00 54.02 H new ATOM 0 HA GLU A 43 -29.204 6.926 -15.299 1.00 33.11 H new ATOM 0 HB2 GLU A 43 -28.643 4.599 -14.591 1.00 33.21 H new ATOM 0 HB3 GLU A 43 -30.128 4.529 -13.664 1.00 33.21 H new ATOM 0 HG2 GLU A 43 -31.360 5.020 -15.865 1.00 55.34 H new ATOM 0 HG3 GLU A 43 -29.834 4.721 -16.673 1.00 55.34 H new ATOM 700 N PRO A 44 -31.234 8.337 -14.434 1.00 51.14 N ATOM 701 CA PRO A 44 -32.540 8.996 -14.332 1.00 23.40 C ATOM 702 C PRO A 44 -33.462 8.636 -15.492 1.00 72.52 C ATOM 703 O PRO A 44 -33.092 8.769 -16.658 1.00 44.21 O ATOM 704 CB PRO A 44 -32.190 10.485 -14.370 1.00 43.11 C ATOM 705 CG PRO A 44 -30.890 10.551 -15.095 1.00 73.44 C ATOM 706 CD PRO A 44 -30.153 9.289 -14.740 1.00 10.55 C ATOM 0 HA PRO A 44 -33.080 8.694 -13.435 1.00 23.40 H new ATOM 0 HB2 PRO A 44 -32.960 11.059 -14.885 1.00 43.11 H new ATOM 0 HB3 PRO A 44 -32.104 10.897 -13.365 1.00 43.11 H new ATOM 0 HG2 PRO A 44 -31.047 10.622 -16.171 1.00 73.44 H new ATOM 0 HG3 PRO A 44 -30.321 11.432 -14.797 1.00 73.44 H new ATOM 0 HD2 PRO A 44 -29.532 8.940 -15.565 1.00 10.55 H new ATOM 0 HD3 PRO A 44 -29.493 9.436 -13.885 1.00 10.55 H new ATOM 714 N LEU A 45 -34.666 8.180 -15.164 1.00 70.02 N ATOM 715 CA LEU A 45 -35.643 7.801 -16.179 1.00 34.12 C ATOM 716 C LEU A 45 -36.970 8.518 -15.952 1.00 33.15 C ATOM 717 O LEU A 45 -37.173 9.157 -14.919 1.00 41.10 O ATOM 718 CB LEU A 45 -35.861 6.287 -16.166 1.00 63.01 C ATOM 719 CG LEU A 45 -36.590 5.723 -14.946 1.00 54.12 C ATOM 720 CD1 LEU A 45 -37.195 4.365 -15.266 1.00 23.31 C ATOM 721 CD2 LEU A 45 -35.645 5.622 -13.758 1.00 54.24 C ATOM 0 H LEU A 45 -34.989 8.064 -14.204 1.00 70.02 H new ATOM 0 HA LEU A 45 -35.252 8.098 -17.152 1.00 34.12 H new ATOM 0 HB2 LEU A 45 -36.424 6.014 -17.059 1.00 63.01 H new ATOM 0 HB3 LEU A 45 -34.889 5.800 -16.240 1.00 63.01 H new ATOM 0 HG LEU A 45 -37.399 6.405 -14.683 1.00 54.12 H new ATOM 0 HD11 LEU A 45 -37.710 3.979 -14.386 1.00 23.31 H new ATOM 0 HD12 LEU A 45 -37.906 4.467 -16.086 1.00 23.31 H new ATOM 0 HD13 LEU A 45 -36.404 3.673 -15.556 1.00 23.31 H new ATOM 0 HD21 LEU A 45 -36.182 5.219 -12.899 1.00 54.24 H new ATOM 0 HD22 LEU A 45 -34.814 4.963 -14.009 1.00 54.24 H new ATOM 0 HD23 LEU A 45 -35.261 6.612 -13.513 1.00 54.24 H new ATOM 733 N MET A 46 -37.871 8.406 -16.922 1.00 32.33 N ATOM 734 CA MET A 46 -39.181 9.041 -16.825 1.00 43.55 C ATOM 735 C MET A 46 -40.289 8.063 -17.204 1.00 11.22 C ATOM 736 O MET A 46 -41.094 8.338 -18.092 1.00 73.51 O ATOM 737 CB MET A 46 -39.242 10.274 -17.729 1.00 25.23 C ATOM 738 CG MET A 46 -38.863 9.988 -19.173 1.00 25.23 C ATOM 739 SD MET A 46 -39.635 11.131 -20.334 1.00 30.54 S ATOM 740 CE MET A 46 -41.186 10.294 -20.652 1.00 62.32 C ATOM 0 H MET A 46 -37.719 7.882 -17.784 1.00 32.33 H new ATOM 0 HA MET A 46 -39.332 9.350 -15.791 1.00 43.55 H new ATOM 0 HB2 MET A 46 -40.251 10.685 -17.701 1.00 25.23 H new ATOM 0 HB3 MET A 46 -38.575 11.039 -17.332 1.00 25.23 H new ATOM 0 HG2 MET A 46 -37.780 10.046 -19.278 1.00 25.23 H new ATOM 0 HG3 MET A 46 -39.154 8.968 -19.426 1.00 25.23 H new ATOM 0 HE1 MET A 46 -41.763 10.862 -21.382 1.00 62.32 H new ATOM 0 HE2 MET A 46 -40.987 9.296 -21.043 1.00 62.32 H new ATOM 0 HE3 MET A 46 -41.753 10.214 -19.725 1.00 62.32 H new ATOM 750 N ASN A 47 -40.322 6.922 -16.524 1.00 74.41 N ATOM 751 CA ASN A 47 -41.331 5.902 -16.792 1.00 15.23 C ATOM 752 C ASN A 47 -42.059 5.510 -15.509 1.00 25.31 C ATOM 753 O ASN A 47 -43.289 5.498 -15.461 1.00 1.10 O ATOM 754 CB ASN A 47 -40.685 4.669 -17.424 1.00 25.11 C ATOM 755 CG ASN A 47 -40.153 4.945 -18.817 1.00 24.44 C ATOM 756 OD1 ASN A 47 -38.950 5.125 -19.009 1.00 60.43 O ATOM 757 ND2 ASN A 47 -41.049 4.978 -19.796 1.00 50.31 N ATOM 0 H ASN A 47 -39.663 6.680 -15.784 1.00 74.41 H new ATOM 0 HA ASN A 47 -42.058 6.318 -17.489 1.00 15.23 H new ATOM 0 HB2 ASN A 47 -39.870 4.323 -16.789 1.00 25.11 H new ATOM 0 HB3 ASN A 47 -41.417 3.862 -17.471 1.00 25.11 H new ATOM 0 HD21 ASN A 47 -40.751 5.158 -20.755 1.00 50.31 H new ATOM 0 HD22 ASN A 47 -42.036 4.823 -19.590 1.00 50.31 H new ATOM 764 N TRP A 48 -41.291 5.187 -14.475 1.00 1.31 N ATOM 765 CA TRP A 48 -41.863 4.794 -13.192 1.00 24.51 C ATOM 766 C TRP A 48 -40.772 4.618 -12.141 1.00 25.13 C ATOM 767 O TRP A 48 -39.756 3.967 -12.388 1.00 14.23 O ATOM 768 CB TRP A 48 -42.657 3.495 -13.341 1.00 53.55 C ATOM 769 CG TRP A 48 -41.823 2.336 -13.792 1.00 43.34 C ATOM 770 CD1 TRP A 48 -41.454 2.040 -15.073 1.00 65.22 C ATOM 771 CD2 TRP A 48 -41.253 1.316 -12.963 1.00 55.35 C ATOM 772 NE1 TRP A 48 -40.690 0.897 -15.091 1.00 2.31 N ATOM 773 CE2 TRP A 48 -40.552 0.435 -13.808 1.00 70.54 C ATOM 774 CE3 TRP A 48 -41.268 1.063 -11.589 1.00 41.43 C ATOM 775 CZ2 TRP A 48 -39.874 -0.680 -13.323 1.00 45.40 C ATOM 776 CZ3 TRP A 48 -40.593 -0.044 -11.108 1.00 52.14 C ATOM 777 CH2 TRP A 48 -39.904 -0.904 -11.973 1.00 45.55 C ATOM 0 H TRP A 48 -40.271 5.189 -14.499 1.00 1.31 H new ATOM 0 HA TRP A 48 -42.535 5.587 -12.864 1.00 24.51 H new ATOM 0 HB2 TRP A 48 -43.120 3.250 -12.385 1.00 53.55 H new ATOM 0 HB3 TRP A 48 -43.465 3.652 -14.056 1.00 53.55 H new ATOM 0 HD1 TRP A 48 -41.723 2.619 -15.944 1.00 65.22 H new ATOM 0 HE1 TRP A 48 -40.291 0.463 -15.924 1.00 2.31 H new ATOM 0 HE3 TRP A 48 -41.797 1.720 -10.915 1.00 41.43 H new ATOM 0 HZ2 TRP A 48 -39.343 -1.345 -13.988 1.00 45.40 H new ATOM 0 HZ3 TRP A 48 -40.597 -0.249 -10.048 1.00 52.14 H new ATOM 0 HH2 TRP A 48 -39.386 -1.760 -11.567 1.00 45.55 H new ATOM 788 N THR A 49 -40.988 5.202 -10.966 1.00 42.53 N ATOM 789 CA THR A 49 -40.023 5.111 -9.878 1.00 62.33 C ATOM 790 C THR A 49 -40.423 4.033 -8.878 1.00 22.43 C ATOM 791 O THR A 49 -41.586 3.636 -8.809 1.00 45.23 O ATOM 792 CB THR A 49 -39.881 6.455 -9.139 1.00 22.35 C ATOM 793 OG1 THR A 49 -38.962 6.320 -8.050 1.00 33.24 O ATOM 794 CG2 THR A 49 -41.228 6.929 -8.616 1.00 53.23 C ATOM 0 H THR A 49 -41.824 5.743 -10.744 1.00 42.53 H new ATOM 0 HA THR A 49 -39.065 4.849 -10.326 1.00 62.33 H new ATOM 0 HB THR A 49 -39.502 7.194 -9.844 1.00 22.35 H new ATOM 0 HG1 THR A 49 -38.876 7.179 -7.586 1.00 33.24 H new ATOM 0 HG21 THR A 49 -41.103 7.880 -8.098 1.00 53.23 H new ATOM 0 HG22 THR A 49 -41.917 7.058 -9.450 1.00 53.23 H new ATOM 0 HG23 THR A 49 -41.631 6.189 -7.924 1.00 53.23 H new ATOM 802 N GLY A 50 -39.451 3.562 -8.102 1.00 22.01 N ATOM 803 CA GLY A 50 -39.723 2.534 -7.115 1.00 31.34 C ATOM 804 C GLY A 50 -38.543 1.606 -6.904 1.00 65.53 C ATOM 805 O GLY A 50 -38.390 1.018 -5.833 1.00 62.34 O ATOM 0 H GLY A 50 -38.481 3.874 -8.140 1.00 22.01 H new ATOM 0 HA2 GLY A 50 -39.985 3.005 -6.167 1.00 31.34 H new ATOM 0 HA3 GLY A 50 -40.588 1.951 -7.431 1.00 31.34 H new ATOM 809 N SER A 51 -37.707 1.471 -7.929 1.00 55.44 N ATOM 810 CA SER A 51 -36.538 0.603 -7.853 1.00 42.22 C ATOM 811 C SER A 51 -35.315 1.379 -7.373 1.00 54.33 C ATOM 812 O SER A 51 -34.262 1.357 -8.011 1.00 1.43 O ATOM 813 CB SER A 51 -36.253 -0.025 -9.219 1.00 22.30 C ATOM 814 OG SER A 51 -36.189 0.964 -10.232 1.00 5.10 O ATOM 0 H SER A 51 -37.818 1.952 -8.822 1.00 55.44 H new ATOM 0 HA SER A 51 -36.750 -0.188 -7.134 1.00 42.22 H new ATOM 0 HB2 SER A 51 -35.311 -0.573 -9.181 1.00 22.30 H new ATOM 0 HB3 SER A 51 -37.033 -0.747 -9.460 1.00 22.30 H new ATOM 0 HG SER A 51 -36.004 0.537 -11.095 1.00 5.10 H new ATOM 820 N HIS A 52 -35.464 2.066 -6.246 1.00 12.43 N ATOM 821 CA HIS A 52 -34.373 2.851 -5.678 1.00 63.31 C ATOM 822 C HIS A 52 -33.694 2.094 -4.539 1.00 70.05 C ATOM 823 O HIS A 52 -32.508 2.286 -4.274 1.00 31.04 O ATOM 824 CB HIS A 52 -34.892 4.196 -5.172 1.00 42.34 C ATOM 825 CG HIS A 52 -35.863 4.077 -4.038 1.00 64.43 C ATOM 826 ND1 HIS A 52 -35.492 4.193 -2.715 1.00 13.51 N ATOM 827 CD2 HIS A 52 -37.197 3.850 -4.035 1.00 30.43 C ATOM 828 CE1 HIS A 52 -36.556 4.043 -1.947 1.00 61.02 C ATOM 829 NE2 HIS A 52 -37.604 3.833 -2.724 1.00 14.13 N ATOM 0 H HIS A 52 -36.330 2.096 -5.707 1.00 12.43 H new ATOM 0 HA HIS A 52 -33.639 3.026 -6.464 1.00 63.31 H new ATOM 0 HB2 HIS A 52 -34.046 4.805 -4.853 1.00 42.34 H new ATOM 0 HB3 HIS A 52 -35.372 4.724 -5.996 1.00 42.34 H new ATOM 0 HD2 HIS A 52 -37.825 3.709 -4.902 1.00 30.43 H new ATOM 0 HE1 HIS A 52 -36.568 4.085 -0.868 1.00 61.02 H new ATOM 0 HE2 HIS A 52 -38.560 3.683 -2.402 1.00 14.13 H new ATOM 837 N ASP A 53 -34.455 1.234 -3.871 1.00 70.34 N ATOM 838 CA ASP A 53 -33.928 0.448 -2.762 1.00 2.53 C ATOM 839 C ASP A 53 -32.787 -0.452 -3.227 1.00 53.23 C ATOM 840 O ASP A 53 -31.855 -0.732 -2.474 1.00 0.53 O ATOM 841 CB ASP A 53 -35.038 -0.396 -2.135 1.00 64.50 C ATOM 842 CG ASP A 53 -35.740 -1.276 -3.151 1.00 54.02 C ATOM 843 OD1 ASP A 53 -36.463 -0.728 -4.010 1.00 34.42 O ATOM 844 OD2 ASP A 53 -35.567 -2.510 -3.088 1.00 23.15 O ATOM 0 H ASP A 53 -35.439 1.064 -4.078 1.00 70.34 H new ATOM 0 HA ASP A 53 -33.539 1.137 -2.012 1.00 2.53 H new ATOM 0 HB2 ASP A 53 -34.615 -1.021 -1.348 1.00 64.50 H new ATOM 0 HB3 ASP A 53 -35.768 0.262 -1.662 1.00 64.50 H new ATOM 849 N THR A 54 -32.869 -0.904 -4.474 1.00 65.05 N ATOM 850 CA THR A 54 -31.846 -1.775 -5.041 1.00 2.33 C ATOM 851 C THR A 54 -30.721 -0.962 -5.673 1.00 20.14 C ATOM 852 O THR A 54 -30.966 -0.064 -6.477 1.00 40.41 O ATOM 853 CB THR A 54 -32.437 -2.722 -6.101 1.00 74.22 C ATOM 854 OG1 THR A 54 -33.744 -3.149 -5.701 1.00 73.55 O ATOM 855 CG2 THR A 54 -31.541 -3.935 -6.303 1.00 13.12 C ATOM 0 H THR A 54 -33.634 -0.681 -5.111 1.00 65.05 H new ATOM 0 HA THR A 54 -31.446 -2.368 -4.219 1.00 2.33 H new ATOM 0 HB THR A 54 -32.505 -2.180 -7.044 1.00 74.22 H new ATOM 0 HG1 THR A 54 -34.114 -3.750 -6.381 1.00 73.55 H new ATOM 0 HG21 THR A 54 -31.979 -4.590 -7.056 1.00 13.12 H new ATOM 0 HG22 THR A 54 -30.556 -3.608 -6.635 1.00 13.12 H new ATOM 0 HG23 THR A 54 -31.445 -4.477 -5.362 1.00 13.12 H new ATOM 863 N LYS A 55 -29.485 -1.285 -5.304 1.00 55.13 N ATOM 864 CA LYS A 55 -28.321 -0.586 -5.836 1.00 41.21 C ATOM 865 C LYS A 55 -27.422 -1.541 -6.614 1.00 75.53 C ATOM 866 O LYS A 55 -26.204 -1.543 -6.439 1.00 51.12 O ATOM 867 CB LYS A 55 -27.529 0.065 -4.700 1.00 44.13 C ATOM 868 CG LYS A 55 -27.313 -0.849 -3.507 1.00 53.30 C ATOM 869 CD LYS A 55 -28.422 -0.695 -2.479 1.00 45.51 C ATOM 870 CE LYS A 55 -28.088 0.381 -1.457 1.00 23.04 C ATOM 871 NZ LYS A 55 -27.079 -0.089 -0.466 1.00 72.25 N ATOM 0 H LYS A 55 -29.264 -2.026 -4.639 1.00 55.13 H new ATOM 0 HA LYS A 55 -28.673 0.189 -6.517 1.00 41.21 H new ATOM 0 HB2 LYS A 55 -26.560 0.386 -5.082 1.00 44.13 H new ATOM 0 HB3 LYS A 55 -28.054 0.961 -4.370 1.00 44.13 H new ATOM 0 HG2 LYS A 55 -27.269 -1.885 -3.844 1.00 53.30 H new ATOM 0 HG3 LYS A 55 -26.352 -0.624 -3.044 1.00 53.30 H new ATOM 0 HD2 LYS A 55 -29.355 -0.443 -2.983 1.00 45.51 H new ATOM 0 HD3 LYS A 55 -28.582 -1.645 -1.970 1.00 45.51 H new ATOM 0 HE2 LYS A 55 -27.709 1.264 -1.971 1.00 23.04 H new ATOM 0 HE3 LYS A 55 -28.997 0.681 -0.935 1.00 23.04 H new ATOM 0 HZ1 LYS A 55 -27.015 0.594 0.315 1.00 72.25 H new ATOM 0 HZ2 LYS A 55 -27.365 -1.016 -0.092 1.00 72.25 H new ATOM 0 HZ3 LYS A 55 -26.151 -0.174 -0.929 1.00 72.25 H new ATOM 885 N GLN A 56 -28.032 -2.352 -7.474 1.00 62.04 N ATOM 886 CA GLN A 56 -27.285 -3.311 -8.279 1.00 74.24 C ATOM 887 C GLN A 56 -26.515 -4.284 -7.393 1.00 52.51 C ATOM 888 O GLN A 56 -25.368 -4.625 -7.681 1.00 32.40 O ATOM 889 CB GLN A 56 -26.321 -2.581 -9.215 1.00 45.00 C ATOM 890 CG GLN A 56 -27.011 -1.633 -10.183 1.00 21.12 C ATOM 891 CD GLN A 56 -27.295 -0.277 -9.568 1.00 21.42 C ATOM 892 OE1 GLN A 56 -26.515 0.225 -8.757 1.00 14.40 O ATOM 893 NE2 GLN A 56 -28.415 0.324 -9.950 1.00 40.05 N ATOM 0 H GLN A 56 -29.040 -2.364 -7.631 1.00 62.04 H new ATOM 0 HA GLN A 56 -27.998 -3.880 -8.876 1.00 74.24 H new ATOM 0 HB2 GLN A 56 -25.604 -2.018 -8.617 1.00 45.00 H new ATOM 0 HB3 GLN A 56 -25.753 -3.317 -9.784 1.00 45.00 H new ATOM 0 HG2 GLN A 56 -26.386 -1.503 -11.067 1.00 21.12 H new ATOM 0 HG3 GLN A 56 -27.947 -2.079 -10.518 1.00 21.12 H new ATOM 0 HE21 GLN A 56 -29.032 -0.128 -10.624 1.00 40.05 H new ATOM 0 HE22 GLN A 56 -28.659 1.238 -9.569 1.00 40.05 H new ATOM 902 N GLN A 57 -27.153 -4.725 -6.314 1.00 1.55 N ATOM 903 CA GLN A 57 -26.526 -5.657 -5.384 1.00 30.34 C ATOM 904 C GLN A 57 -27.199 -7.024 -5.447 1.00 61.13 C ATOM 905 O GLN A 57 -27.378 -7.687 -4.425 1.00 52.15 O ATOM 906 CB GLN A 57 -26.591 -5.109 -3.958 1.00 21.33 C ATOM 907 CG GLN A 57 -28.003 -4.799 -3.488 1.00 40.51 C ATOM 908 CD GLN A 57 -28.154 -4.901 -1.984 1.00 50.00 C ATOM 909 OE1 GLN A 57 -29.070 -5.555 -1.483 1.00 64.21 O ATOM 910 NE2 GLN A 57 -27.254 -4.254 -1.252 1.00 52.45 N ATOM 0 H GLN A 57 -28.103 -4.452 -6.062 1.00 1.55 H new ATOM 0 HA GLN A 57 -25.482 -5.773 -5.674 1.00 30.34 H new ATOM 0 HB2 GLN A 57 -26.142 -5.834 -3.279 1.00 21.33 H new ATOM 0 HB3 GLN A 57 -25.990 -4.202 -3.899 1.00 21.33 H new ATOM 0 HG2 GLN A 57 -28.276 -3.794 -3.809 1.00 40.51 H new ATOM 0 HG3 GLN A 57 -28.700 -5.487 -3.967 1.00 40.51 H new ATOM 0 HE21 GLN A 57 -26.511 -3.724 -1.708 1.00 52.45 H new ATOM 0 HE22 GLN A 57 -27.306 -4.287 -0.234 1.00 52.45 H new ATOM 919 N VAL A 58 -27.571 -7.439 -6.654 1.00 33.52 N ATOM 920 CA VAL A 58 -28.224 -8.729 -6.851 1.00 13.42 C ATOM 921 C VAL A 58 -27.259 -9.749 -7.444 1.00 62.14 C ATOM 922 O VAL A 58 -26.309 -9.388 -8.140 1.00 0.23 O ATOM 923 CB VAL A 58 -29.451 -8.600 -7.774 1.00 24.41 C ATOM 924 CG1 VAL A 58 -30.519 -7.735 -7.126 1.00 13.04 C ATOM 925 CG2 VAL A 58 -29.042 -8.035 -9.126 1.00 31.40 C ATOM 0 H VAL A 58 -27.432 -6.902 -7.510 1.00 33.52 H new ATOM 0 HA VAL A 58 -28.551 -9.072 -5.870 1.00 13.42 H new ATOM 0 HB VAL A 58 -29.871 -9.593 -7.933 1.00 24.41 H new ATOM 0 HG11 VAL A 58 -31.377 -7.656 -7.793 1.00 13.04 H new ATOM 0 HG12 VAL A 58 -30.832 -8.187 -6.185 1.00 13.04 H new ATOM 0 HG13 VAL A 58 -30.115 -6.741 -6.935 1.00 13.04 H new ATOM 0 HG21 VAL A 58 -29.920 -7.950 -9.766 1.00 31.40 H new ATOM 0 HG22 VAL A 58 -28.597 -7.050 -8.989 1.00 31.40 H new ATOM 0 HG23 VAL A 58 -28.315 -8.700 -9.593 1.00 31.40 H new ATOM 935 N CYS A 59 -27.510 -11.023 -7.165 1.00 23.44 N ATOM 936 CA CYS A 59 -26.662 -12.097 -7.671 1.00 75.30 C ATOM 937 C CYS A 59 -27.134 -12.561 -9.045 1.00 50.13 C ATOM 938 O CYS A 59 -28.307 -12.415 -9.392 1.00 52.44 O ATOM 939 CB CYS A 59 -26.659 -13.274 -6.695 1.00 60.51 C ATOM 940 SG CYS A 59 -28.275 -14.054 -6.473 1.00 11.22 S ATOM 0 H CYS A 59 -28.293 -11.338 -6.592 1.00 23.44 H new ATOM 0 HA CYS A 59 -25.647 -11.711 -7.767 1.00 75.30 H new ATOM 0 HB2 CYS A 59 -25.951 -14.024 -7.049 1.00 60.51 H new ATOM 0 HB3 CYS A 59 -26.299 -12.928 -5.726 1.00 60.51 H new ATOM 0 HG CYS A 59 -28.169 -15.039 -5.632 1.00 11.22 H new ATOM 946 N LEU A 60 -26.215 -13.119 -9.824 1.00 5.45 N ATOM 947 CA LEU A 60 -26.536 -13.604 -11.162 1.00 44.41 C ATOM 948 C LEU A 60 -26.291 -15.105 -11.271 1.00 14.42 C ATOM 949 O LEU A 60 -25.512 -15.675 -10.507 1.00 44.32 O ATOM 950 CB LEU A 60 -25.701 -12.863 -12.208 1.00 4.32 C ATOM 951 CG LEU A 60 -26.373 -11.663 -12.876 1.00 43.43 C ATOM 952 CD1 LEU A 60 -25.335 -10.769 -13.536 1.00 45.32 C ATOM 953 CD2 LEU A 60 -27.403 -12.129 -13.895 1.00 53.21 C ATOM 0 H LEU A 60 -25.240 -13.247 -9.552 1.00 5.45 H new ATOM 0 HA LEU A 60 -27.593 -13.413 -11.347 1.00 44.41 H new ATOM 0 HB2 LEU A 60 -24.781 -12.521 -11.734 1.00 4.32 H new ATOM 0 HB3 LEU A 60 -25.415 -13.572 -12.984 1.00 4.32 H new ATOM 0 HG LEU A 60 -26.886 -11.084 -12.108 1.00 43.43 H new ATOM 0 HD11 LEU A 60 -25.832 -9.920 -14.006 1.00 45.32 H new ATOM 0 HD12 LEU A 60 -24.634 -10.408 -12.783 1.00 45.32 H new ATOM 0 HD13 LEU A 60 -24.794 -11.337 -14.292 1.00 45.32 H new ATOM 0 HD21 LEU A 60 -27.872 -11.262 -14.361 1.00 53.21 H new ATOM 0 HD22 LEU A 60 -26.912 -12.731 -14.660 1.00 53.21 H new ATOM 0 HD23 LEU A 60 -28.164 -12.728 -13.395 1.00 53.21 H new ATOM 965 N SER A 61 -26.963 -15.741 -12.226 1.00 0.54 N ATOM 966 CA SER A 61 -26.821 -17.176 -12.434 1.00 25.41 C ATOM 967 C SER A 61 -26.872 -17.518 -13.919 1.00 72.33 C ATOM 968 O SER A 61 -27.769 -17.078 -14.639 1.00 35.20 O ATOM 969 CB SER A 61 -27.921 -17.934 -11.686 1.00 41.42 C ATOM 970 OG SER A 61 -27.997 -17.518 -10.334 1.00 64.40 O ATOM 0 H SER A 61 -27.611 -15.284 -12.868 1.00 0.54 H new ATOM 0 HA SER A 61 -25.850 -17.480 -12.042 1.00 25.41 H new ATOM 0 HB2 SER A 61 -28.880 -17.767 -12.176 1.00 41.42 H new ATOM 0 HB3 SER A 61 -27.723 -19.005 -11.730 1.00 41.42 H new ATOM 0 HG SER A 61 -28.708 -18.015 -9.878 1.00 64.40 H new ATOM 976 N PHE A 62 -25.903 -18.306 -14.373 1.00 71.01 N ATOM 977 CA PHE A 62 -25.836 -18.707 -15.774 1.00 45.43 C ATOM 978 C PHE A 62 -25.990 -20.218 -15.915 1.00 54.42 C ATOM 979 O PHE A 62 -25.801 -20.965 -14.956 1.00 31.53 O ATOM 980 CB PHE A 62 -24.510 -18.258 -16.392 1.00 42.32 C ATOM 981 CG PHE A 62 -24.400 -16.770 -16.562 1.00 23.22 C ATOM 982 CD1 PHE A 62 -24.138 -15.952 -15.475 1.00 53.22 C ATOM 983 CD2 PHE A 62 -24.560 -16.189 -17.810 1.00 21.21 C ATOM 984 CE1 PHE A 62 -24.037 -14.582 -15.629 1.00 23.03 C ATOM 985 CE2 PHE A 62 -24.459 -14.819 -17.969 1.00 64.55 C ATOM 986 CZ PHE A 62 -24.198 -14.015 -16.878 1.00 34.43 C ATOM 0 H PHE A 62 -25.153 -18.680 -13.791 1.00 71.01 H new ATOM 0 HA PHE A 62 -26.658 -18.225 -16.304 1.00 45.43 H new ATOM 0 HB2 PHE A 62 -23.690 -18.605 -15.764 1.00 42.32 H new ATOM 0 HB3 PHE A 62 -24.391 -18.736 -17.364 1.00 42.32 H new ATOM 0 HD1 PHE A 62 -24.011 -16.390 -14.496 1.00 53.22 H new ATOM 0 HD2 PHE A 62 -24.766 -16.813 -18.667 1.00 21.21 H new ATOM 0 HE1 PHE A 62 -23.832 -13.956 -14.773 1.00 23.03 H new ATOM 0 HE2 PHE A 62 -24.584 -14.378 -18.947 1.00 64.55 H new ATOM 0 HZ PHE A 62 -24.120 -12.945 -17.001 1.00 34.43 H new ATOM 996 N THR A 63 -26.337 -20.661 -17.119 1.00 74.45 N ATOM 997 CA THR A 63 -26.520 -22.082 -17.388 1.00 41.13 C ATOM 998 C THR A 63 -25.180 -22.780 -17.589 1.00 11.40 C ATOM 999 O THR A 63 -24.862 -23.746 -16.896 1.00 24.34 O ATOM 1000 CB THR A 63 -27.397 -22.310 -18.633 1.00 71.22 C ATOM 1001 OG1 THR A 63 -28.592 -21.525 -18.543 1.00 3.25 O ATOM 1002 CG2 THR A 63 -27.761 -23.780 -18.777 1.00 63.35 C ATOM 0 H THR A 63 -26.497 -20.056 -17.924 1.00 74.45 H new ATOM 0 HA THR A 63 -27.021 -22.506 -16.518 1.00 41.13 H new ATOM 0 HB THR A 63 -26.828 -22.005 -19.511 1.00 71.22 H new ATOM 0 HG1 THR A 63 -29.143 -21.675 -19.340 1.00 3.25 H new ATOM 0 HG21 THR A 63 -28.381 -23.916 -19.663 1.00 63.35 H new ATOM 0 HG22 THR A 63 -26.851 -24.372 -18.876 1.00 63.35 H new ATOM 0 HG23 THR A 63 -28.312 -24.106 -17.895 1.00 63.35 H new ATOM 1010 N THR A 64 -24.397 -22.285 -18.542 1.00 11.12 N ATOM 1011 CA THR A 64 -23.090 -22.862 -18.834 1.00 14.33 C ATOM 1012 C THR A 64 -21.976 -21.853 -18.583 1.00 3.41 C ATOM 1013 O THR A 64 -22.186 -20.644 -18.678 1.00 62.11 O ATOM 1014 CB THR A 64 -23.006 -23.350 -20.292 1.00 22.22 C ATOM 1015 OG1 THR A 64 -23.740 -22.467 -21.149 1.00 2.15 O ATOM 1016 CG2 THR A 64 -23.556 -24.763 -20.422 1.00 52.41 C ATOM 0 H THR A 64 -24.645 -21.486 -19.125 1.00 11.12 H new ATOM 0 HA THR A 64 -22.963 -23.713 -18.165 1.00 14.33 H new ATOM 0 HB THR A 64 -21.957 -23.355 -20.589 1.00 22.22 H new ATOM 0 HG1 THR A 64 -23.680 -22.784 -22.074 1.00 2.15 H new ATOM 0 HG21 THR A 64 -23.486 -25.086 -21.461 1.00 52.41 H new ATOM 0 HG22 THR A 64 -22.977 -25.438 -19.792 1.00 52.41 H new ATOM 0 HG23 THR A 64 -24.599 -24.778 -20.107 1.00 52.41 H new ATOM 1024 N ARG A 65 -20.789 -22.357 -18.261 1.00 64.30 N ATOM 1025 CA ARG A 65 -19.640 -21.500 -17.996 1.00 53.24 C ATOM 1026 C ARG A 65 -19.430 -20.505 -19.134 1.00 61.21 C ATOM 1027 O ARG A 65 -19.251 -19.310 -18.901 1.00 30.33 O ATOM 1028 CB ARG A 65 -18.380 -22.345 -17.804 1.00 1.01 C ATOM 1029 CG ARG A 65 -18.143 -23.350 -18.920 1.00 13.42 C ATOM 1030 CD ARG A 65 -17.010 -24.305 -18.578 1.00 52.01 C ATOM 1031 NE ARG A 65 -17.488 -25.493 -17.876 1.00 53.32 N ATOM 1032 CZ ARG A 65 -18.091 -26.511 -18.481 1.00 12.53 C ATOM 1033 NH1 ARG A 65 -18.288 -26.486 -19.792 1.00 0.21 N ATOM 1034 NH2 ARG A 65 -18.498 -27.557 -17.773 1.00 63.35 N ATOM 0 H ARG A 65 -20.598 -23.355 -18.177 1.00 64.30 H new ATOM 0 HA ARG A 65 -19.838 -20.942 -17.081 1.00 53.24 H new ATOM 0 HB2 ARG A 65 -17.517 -21.683 -17.733 1.00 1.01 H new ATOM 0 HB3 ARG A 65 -18.452 -22.878 -16.856 1.00 1.01 H new ATOM 0 HG2 ARG A 65 -19.056 -23.917 -19.101 1.00 13.42 H new ATOM 0 HG3 ARG A 65 -17.908 -22.821 -19.844 1.00 13.42 H new ATOM 0 HD2 ARG A 65 -16.501 -24.606 -19.494 1.00 52.01 H new ATOM 0 HD3 ARG A 65 -16.276 -23.789 -17.959 1.00 52.01 H new ATOM 0 HE ARG A 65 -17.352 -25.544 -16.866 1.00 53.32 H new ATOM 0 HH11 ARG A 65 -17.976 -25.684 -20.339 1.00 0.21 H new ATOM 0 HH12 ARG A 65 -18.751 -27.269 -20.253 1.00 0.21 H new ATOM 0 HH21 ARG A 65 -18.348 -27.580 -16.764 1.00 63.35 H new ATOM 0 HH22 ARG A 65 -18.961 -28.338 -18.237 1.00 63.35 H new ATOM 1048 N GLU A 66 -19.453 -21.008 -20.364 1.00 43.44 N ATOM 1049 CA GLU A 66 -19.264 -20.163 -21.537 1.00 42.12 C ATOM 1050 C GLU A 66 -20.210 -18.966 -21.504 1.00 63.34 C ATOM 1051 O GLU A 66 -19.892 -17.893 -22.021 1.00 25.33 O ATOM 1052 CB GLU A 66 -19.489 -20.971 -22.817 1.00 54.03 C ATOM 1053 CG GLU A 66 -19.345 -20.151 -24.088 1.00 53.22 C ATOM 1054 CD GLU A 66 -19.266 -21.012 -25.333 1.00 73.53 C ATOM 1055 OE1 GLU A 66 -20.332 -21.397 -25.857 1.00 75.04 O ATOM 1056 OE2 GLU A 66 -18.138 -21.303 -25.782 1.00 52.42 O ATOM 0 H GLU A 66 -19.600 -21.995 -20.574 1.00 43.44 H new ATOM 0 HA GLU A 66 -18.239 -19.793 -21.525 1.00 42.12 H new ATOM 0 HB2 GLU A 66 -18.778 -21.797 -22.845 1.00 54.03 H new ATOM 0 HB3 GLU A 66 -20.486 -21.410 -22.789 1.00 54.03 H new ATOM 0 HG2 GLU A 66 -20.192 -19.471 -24.175 1.00 53.22 H new ATOM 0 HG3 GLU A 66 -18.448 -19.536 -24.019 1.00 53.22 H new ATOM 1063 N LEU A 67 -21.375 -19.157 -20.895 1.00 43.14 N ATOM 1064 CA LEU A 67 -22.370 -18.095 -20.795 1.00 2.45 C ATOM 1065 C LEU A 67 -21.901 -16.999 -19.843 1.00 24.13 C ATOM 1066 O LEU A 67 -22.067 -15.811 -20.117 1.00 50.35 O ATOM 1067 CB LEU A 67 -23.706 -18.664 -20.317 1.00 14.10 C ATOM 1068 CG LEU A 67 -24.959 -18.057 -20.950 1.00 13.40 C ATOM 1069 CD1 LEU A 67 -24.957 -18.276 -22.455 1.00 21.12 C ATOM 1070 CD2 LEU A 67 -26.214 -18.649 -20.324 1.00 24.31 C ATOM 0 H LEU A 67 -21.654 -20.038 -20.463 1.00 43.14 H new ATOM 0 HA LEU A 67 -22.502 -17.659 -21.785 1.00 2.45 H new ATOM 0 HB2 LEU A 67 -23.710 -19.737 -20.508 1.00 14.10 H new ATOM 0 HB3 LEU A 67 -23.769 -18.532 -19.237 1.00 14.10 H new ATOM 0 HG LEU A 67 -24.955 -16.984 -20.760 1.00 13.40 H new ATOM 0 HD11 LEU A 67 -25.856 -17.837 -22.888 1.00 21.12 H new ATOM 0 HD12 LEU A 67 -24.077 -17.803 -22.890 1.00 21.12 H new ATOM 0 HD13 LEU A 67 -24.937 -19.345 -22.667 1.00 21.12 H new ATOM 0 HD21 LEU A 67 -27.095 -18.205 -20.787 1.00 24.31 H new ATOM 0 HD22 LEU A 67 -26.225 -19.727 -20.482 1.00 24.31 H new ATOM 0 HD23 LEU A 67 -26.221 -18.439 -19.254 1.00 24.31 H new ATOM 1082 N ALA A 68 -21.312 -17.406 -18.722 1.00 75.35 N ATOM 1083 CA ALA A 68 -20.816 -16.460 -17.732 1.00 42.31 C ATOM 1084 C ALA A 68 -19.681 -15.615 -18.301 1.00 11.32 C ATOM 1085 O ALA A 68 -19.796 -14.393 -18.402 1.00 5.05 O ATOM 1086 CB ALA A 68 -20.354 -17.196 -16.484 1.00 24.04 C ATOM 0 H ALA A 68 -21.167 -18.386 -18.478 1.00 75.35 H new ATOM 0 HA ALA A 68 -21.633 -15.791 -17.464 1.00 42.31 H new ATOM 0 HB1 ALA A 68 -19.986 -16.477 -15.753 1.00 24.04 H new ATOM 0 HB2 ALA A 68 -21.190 -17.751 -16.058 1.00 24.04 H new ATOM 0 HB3 ALA A 68 -19.554 -17.889 -16.745 1.00 24.04 H new ATOM 1092 N ILE A 69 -18.588 -16.273 -18.670 1.00 3.31 N ATOM 1093 CA ILE A 69 -17.433 -15.581 -19.229 1.00 51.13 C ATOM 1094 C ILE A 69 -17.833 -14.713 -20.417 1.00 34.15 C ATOM 1095 O ILE A 69 -17.271 -13.640 -20.633 1.00 4.11 O ATOM 1096 CB ILE A 69 -16.345 -16.574 -19.677 1.00 43.50 C ATOM 1097 CG1 ILE A 69 -15.843 -17.387 -18.482 1.00 65.21 C ATOM 1098 CG2 ILE A 69 -15.194 -15.834 -20.342 1.00 5.34 C ATOM 1099 CD1 ILE A 69 -16.449 -18.770 -18.395 1.00 75.30 C ATOM 0 H ILE A 69 -18.477 -17.284 -18.592 1.00 3.31 H new ATOM 0 HA ILE A 69 -17.032 -14.947 -18.438 1.00 51.13 H new ATOM 0 HB ILE A 69 -16.778 -17.261 -20.404 1.00 43.50 H new ATOM 0 HG12 ILE A 69 -14.759 -17.478 -18.544 1.00 65.21 H new ATOM 0 HG13 ILE A 69 -16.065 -16.843 -17.564 1.00 65.21 H new ATOM 0 HG21 ILE A 69 -14.433 -16.549 -20.653 1.00 5.34 H new ATOM 0 HG22 ILE A 69 -15.564 -15.295 -21.214 1.00 5.34 H new ATOM 0 HG23 ILE A 69 -14.760 -15.127 -19.636 1.00 5.34 H new ATOM 0 HD11 ILE A 69 -16.048 -19.289 -17.525 1.00 75.30 H new ATOM 0 HD12 ILE A 69 -17.532 -18.688 -18.301 1.00 75.30 H new ATOM 0 HD13 ILE A 69 -16.205 -19.332 -19.297 1.00 75.30 H new ATOM 1111 N ALA A 70 -18.812 -15.184 -21.183 1.00 71.22 N ATOM 1112 CA ALA A 70 -19.292 -14.450 -22.348 1.00 2.51 C ATOM 1113 C ALA A 70 -19.789 -13.063 -21.955 1.00 13.45 C ATOM 1114 O ALA A 70 -19.807 -12.143 -22.774 1.00 63.20 O ATOM 1115 CB ALA A 70 -20.395 -15.230 -23.046 1.00 12.00 C ATOM 0 H ALA A 70 -19.288 -16.071 -21.018 1.00 71.22 H new ATOM 0 HA ALA A 70 -18.458 -14.327 -23.038 1.00 2.51 H new ATOM 0 HB1 ALA A 70 -20.744 -14.670 -23.914 1.00 12.00 H new ATOM 0 HB2 ALA A 70 -20.009 -16.197 -23.369 1.00 12.00 H new ATOM 0 HB3 ALA A 70 -21.225 -15.383 -22.356 1.00 12.00 H new ATOM 1121 N TYR A 71 -20.192 -12.918 -20.698 1.00 53.50 N ATOM 1122 CA TYR A 71 -20.693 -11.643 -20.197 1.00 44.22 C ATOM 1123 C TYR A 71 -19.542 -10.694 -19.878 1.00 53.22 C ATOM 1124 O TYR A 71 -19.441 -9.609 -20.451 1.00 62.51 O ATOM 1125 CB TYR A 71 -21.549 -11.862 -18.949 1.00 74.32 C ATOM 1126 CG TYR A 71 -22.381 -10.659 -18.566 1.00 63.12 C ATOM 1127 CD1 TYR A 71 -23.075 -9.935 -19.529 1.00 25.54 C ATOM 1128 CD2 TYR A 71 -22.473 -10.245 -17.243 1.00 51.13 C ATOM 1129 CE1 TYR A 71 -23.835 -8.835 -19.184 1.00 55.24 C ATOM 1130 CE2 TYR A 71 -23.232 -9.147 -16.890 1.00 33.14 C ATOM 1131 CZ TYR A 71 -23.912 -8.445 -17.863 1.00 42.15 C ATOM 1132 OH TYR A 71 -24.668 -7.350 -17.515 1.00 4.54 O ATOM 0 H TYR A 71 -20.182 -13.668 -20.007 1.00 53.50 H new ATOM 0 HA TYR A 71 -21.308 -11.192 -20.976 1.00 44.22 H new ATOM 0 HB2 TYR A 71 -22.210 -12.712 -19.117 1.00 74.32 H new ATOM 0 HB3 TYR A 71 -20.899 -12.124 -18.114 1.00 74.32 H new ATOM 0 HD1 TYR A 71 -23.019 -10.238 -20.564 1.00 25.54 H new ATOM 0 HD2 TYR A 71 -21.942 -10.791 -16.478 1.00 51.13 H new ATOM 0 HE1 TYR A 71 -24.367 -8.283 -19.945 1.00 55.24 H new ATOM 0 HE2 TYR A 71 -23.293 -8.839 -15.857 1.00 33.14 H new ATOM 0 HH TYR A 71 -24.617 -7.211 -16.546 1.00 4.54 H new ATOM 1142 N ALA A 72 -18.678 -11.109 -18.958 1.00 61.53 N ATOM 1143 CA ALA A 72 -17.533 -10.299 -18.564 1.00 51.13 C ATOM 1144 C ALA A 72 -16.700 -9.898 -19.777 1.00 30.00 C ATOM 1145 O ALA A 72 -16.398 -8.721 -19.975 1.00 32.24 O ATOM 1146 CB ALA A 72 -16.676 -11.051 -17.557 1.00 45.50 C ATOM 0 H ALA A 72 -18.750 -12.003 -18.471 1.00 61.53 H new ATOM 0 HA ALA A 72 -17.907 -9.388 -18.097 1.00 51.13 H new ATOM 0 HB1 ALA A 72 -15.824 -10.434 -17.271 1.00 45.50 H new ATOM 0 HB2 ALA A 72 -17.271 -11.280 -16.673 1.00 45.50 H new ATOM 0 HB3 ALA A 72 -16.318 -11.978 -18.004 1.00 45.50 H new ATOM 1152 N VAL A 73 -16.329 -10.885 -20.586 1.00 74.02 N ATOM 1153 CA VAL A 73 -15.531 -10.635 -21.780 1.00 63.04 C ATOM 1154 C VAL A 73 -16.209 -9.620 -22.693 1.00 74.51 C ATOM 1155 O VAL A 73 -15.545 -8.848 -23.382 1.00 1.22 O ATOM 1156 CB VAL A 73 -15.281 -11.934 -22.570 1.00 51.25 C ATOM 1157 CG1 VAL A 73 -14.468 -11.649 -23.824 1.00 54.35 C ATOM 1158 CG2 VAL A 73 -14.583 -12.964 -21.695 1.00 40.13 C ATOM 0 H VAL A 73 -16.568 -11.865 -20.436 1.00 74.02 H new ATOM 0 HA VAL A 73 -14.575 -10.233 -21.443 1.00 63.04 H new ATOM 0 HB VAL A 73 -16.244 -12.343 -22.876 1.00 51.25 H new ATOM 0 HG11 VAL A 73 -14.302 -12.578 -24.369 1.00 54.35 H new ATOM 0 HG12 VAL A 73 -15.011 -10.949 -24.459 1.00 54.35 H new ATOM 0 HG13 VAL A 73 -13.508 -11.215 -23.544 1.00 54.35 H new ATOM 0 HG21 VAL A 73 -14.414 -13.875 -22.269 1.00 40.13 H new ATOM 0 HG22 VAL A 73 -13.626 -12.566 -21.357 1.00 40.13 H new ATOM 0 HG23 VAL A 73 -15.207 -13.190 -20.831 1.00 40.13 H new ATOM 1168 N ALA A 74 -17.539 -9.628 -22.694 1.00 22.45 N ATOM 1169 CA ALA A 74 -18.309 -8.707 -23.520 1.00 23.04 C ATOM 1170 C ALA A 74 -17.865 -7.266 -23.293 1.00 34.32 C ATOM 1171 O ALA A 74 -17.947 -6.432 -24.195 1.00 41.11 O ATOM 1172 CB ALA A 74 -19.795 -8.856 -23.231 1.00 51.41 C ATOM 0 H ALA A 74 -18.105 -10.263 -22.131 1.00 22.45 H new ATOM 0 HA ALA A 74 -18.127 -8.955 -24.566 1.00 23.04 H new ATOM 0 HB1 ALA A 74 -20.358 -8.162 -23.855 1.00 51.41 H new ATOM 0 HB2 ALA A 74 -20.108 -9.877 -23.450 1.00 51.41 H new ATOM 0 HB3 ALA A 74 -19.985 -8.636 -22.181 1.00 51.41 H new ATOM 1178 N HIS A 75 -17.397 -6.978 -22.083 1.00 31.30 N ATOM 1179 CA HIS A 75 -16.941 -5.636 -21.738 1.00 24.44 C ATOM 1180 C HIS A 75 -15.496 -5.664 -21.246 1.00 52.24 C ATOM 1181 O HIS A 75 -15.065 -4.779 -20.506 1.00 62.40 O ATOM 1182 CB HIS A 75 -17.845 -5.027 -20.666 1.00 23.54 C ATOM 1183 CG HIS A 75 -19.059 -4.349 -21.223 1.00 33.24 C ATOM 1184 ND1 HIS A 75 -18.994 -3.227 -22.021 1.00 62.22 N ATOM 1185 CD2 HIS A 75 -20.374 -4.640 -21.091 1.00 73.31 C ATOM 1186 CE1 HIS A 75 -20.218 -2.858 -22.357 1.00 42.41 C ATOM 1187 NE2 HIS A 75 -21.073 -3.699 -21.805 1.00 40.23 N ATOM 0 H HIS A 75 -17.323 -7.656 -21.325 1.00 31.30 H new ATOM 0 HA HIS A 75 -16.990 -5.020 -22.636 1.00 24.44 H new ATOM 0 HB2 HIS A 75 -18.160 -5.812 -19.979 1.00 23.54 H new ATOM 0 HB3 HIS A 75 -17.271 -4.306 -20.084 1.00 23.54 H new ATOM 0 HD2 HIS A 75 -20.795 -5.460 -20.528 1.00 73.31 H new ATOM 0 HE1 HIS A 75 -20.475 -2.012 -22.978 1.00 42.41 H new ATOM 0 HE2 HIS A 75 -22.088 -3.656 -21.895 1.00 40.23 H new ATOM 1195 N LYS A 76 -14.754 -6.684 -21.662 1.00 2.34 N ATOM 1196 CA LYS A 76 -13.358 -6.827 -21.265 1.00 32.35 C ATOM 1197 C LYS A 76 -13.211 -6.734 -19.750 1.00 32.20 C ATOM 1198 O LYS A 76 -12.420 -5.939 -19.241 1.00 1.04 O ATOM 1199 CB LYS A 76 -12.503 -5.751 -21.937 1.00 12.21 C ATOM 1200 CG LYS A 76 -12.238 -6.016 -23.409 1.00 21.10 C ATOM 1201 CD LYS A 76 -13.331 -5.429 -24.287 1.00 45.02 C ATOM 1202 CE LYS A 76 -13.157 -3.929 -24.465 1.00 43.23 C ATOM 1203 NZ LYS A 76 -12.148 -3.609 -25.513 1.00 13.44 N ATOM 0 H LYS A 76 -15.096 -7.425 -22.274 1.00 2.34 H new ATOM 0 HA LYS A 76 -13.014 -7.810 -21.586 1.00 32.35 H new ATOM 0 HB2 LYS A 76 -13.000 -4.787 -21.834 1.00 12.21 H new ATOM 0 HB3 LYS A 76 -11.550 -5.676 -21.413 1.00 12.21 H new ATOM 0 HG2 LYS A 76 -11.276 -5.588 -23.689 1.00 21.10 H new ATOM 0 HG3 LYS A 76 -12.171 -7.090 -23.580 1.00 21.10 H new ATOM 0 HD2 LYS A 76 -13.317 -5.916 -25.262 1.00 45.02 H new ATOM 0 HD3 LYS A 76 -14.305 -5.633 -23.843 1.00 45.02 H new ATOM 0 HE2 LYS A 76 -14.114 -3.482 -24.733 1.00 43.23 H new ATOM 0 HE3 LYS A 76 -12.851 -3.484 -23.518 1.00 43.23 H new ATOM 0 HZ1 LYS A 76 -12.058 -2.577 -25.605 1.00 13.44 H new ATOM 0 HZ2 LYS A 76 -11.229 -4.014 -25.245 1.00 13.44 H new ATOM 0 HZ3 LYS A 76 -12.452 -4.012 -26.422 1.00 13.44 H new ATOM 1217 N ILE A 77 -13.976 -7.553 -19.035 1.00 20.01 N ATOM 1218 CA ILE A 77 -13.928 -7.564 -17.577 1.00 63.02 C ATOM 1219 C ILE A 77 -13.201 -8.801 -17.061 1.00 63.34 C ATOM 1220 O ILE A 77 -13.317 -9.886 -17.633 1.00 52.31 O ATOM 1221 CB ILE A 77 -15.341 -7.521 -16.968 1.00 32.12 C ATOM 1222 CG1 ILE A 77 -16.089 -6.276 -17.446 1.00 53.43 C ATOM 1223 CG2 ILE A 77 -15.264 -7.548 -15.449 1.00 3.24 C ATOM 1224 CD1 ILE A 77 -17.581 -6.333 -17.198 1.00 4.32 C ATOM 0 H ILE A 77 -14.636 -8.217 -19.441 1.00 20.01 H new ATOM 0 HA ILE A 77 -13.382 -6.671 -17.272 1.00 63.02 H new ATOM 0 HB ILE A 77 -15.890 -8.402 -17.301 1.00 32.12 H new ATOM 0 HG12 ILE A 77 -15.679 -5.400 -16.943 1.00 53.43 H new ATOM 0 HG13 ILE A 77 -15.911 -6.143 -18.513 1.00 53.43 H new ATOM 0 HG21 ILE A 77 -16.271 -7.517 -15.033 1.00 3.24 H new ATOM 0 HG22 ILE A 77 -14.766 -8.462 -15.126 1.00 3.24 H new ATOM 0 HG23 ILE A 77 -14.700 -6.684 -15.098 1.00 3.24 H new ATOM 0 HD11 ILE A 77 -18.046 -5.417 -17.562 1.00 4.32 H new ATOM 0 HD12 ILE A 77 -18.005 -7.189 -17.724 1.00 4.32 H new ATOM 0 HD13 ILE A 77 -17.769 -6.435 -16.129 1.00 4.32 H new ATOM 1236 N ASP A 78 -12.453 -8.632 -15.977 1.00 24.11 N ATOM 1237 CA ASP A 78 -11.709 -9.735 -15.381 1.00 62.12 C ATOM 1238 C ASP A 78 -12.652 -10.723 -14.703 1.00 74.14 C ATOM 1239 O ASP A 78 -13.233 -10.427 -13.658 1.00 51.13 O ATOM 1240 CB ASP A 78 -10.692 -9.205 -14.368 1.00 70.41 C ATOM 1241 CG ASP A 78 -9.443 -8.662 -15.033 1.00 44.10 C ATOM 1242 OD1 ASP A 78 -9.555 -7.675 -15.790 1.00 42.32 O ATOM 1243 OD2 ASP A 78 -8.353 -9.223 -14.796 1.00 32.05 O ATOM 0 H ASP A 78 -12.346 -7.741 -15.493 1.00 24.11 H new ATOM 0 HA ASP A 78 -11.179 -10.255 -16.179 1.00 62.12 H new ATOM 0 HB2 ASP A 78 -11.154 -8.418 -13.771 1.00 70.41 H new ATOM 0 HB3 ASP A 78 -10.416 -10.005 -13.682 1.00 70.41 H new ATOM 1248 N TYR A 79 -12.802 -11.899 -15.305 1.00 13.45 N ATOM 1249 CA TYR A 79 -13.678 -12.929 -14.761 1.00 31.33 C ATOM 1250 C TYR A 79 -12.868 -14.033 -14.088 1.00 15.45 C ATOM 1251 O TYR A 79 -11.855 -14.488 -14.618 1.00 20.33 O ATOM 1252 CB TYR A 79 -14.549 -13.524 -15.869 1.00 3.21 C ATOM 1253 CG TYR A 79 -13.755 -14.143 -16.996 1.00 72.34 C ATOM 1254 CD1 TYR A 79 -13.327 -15.463 -16.927 1.00 44.24 C ATOM 1255 CD2 TYR A 79 -13.432 -13.408 -18.131 1.00 0.22 C ATOM 1256 CE1 TYR A 79 -12.600 -16.033 -17.956 1.00 13.23 C ATOM 1257 CE2 TYR A 79 -12.707 -13.969 -19.163 1.00 65.41 C ATOM 1258 CZ TYR A 79 -12.293 -15.282 -19.071 1.00 64.24 C ATOM 1259 OH TYR A 79 -11.570 -15.845 -20.097 1.00 44.13 O ATOM 0 H TYR A 79 -12.328 -12.161 -16.169 1.00 13.45 H new ATOM 0 HA TYR A 79 -14.320 -12.466 -14.012 1.00 31.33 H new ATOM 0 HB2 TYR A 79 -15.203 -14.282 -15.438 1.00 3.21 H new ATOM 0 HB3 TYR A 79 -15.191 -12.742 -16.275 1.00 3.21 H new ATOM 0 HD1 TYR A 79 -13.566 -16.054 -16.055 1.00 44.24 H new ATOM 0 HD2 TYR A 79 -13.754 -12.380 -18.207 1.00 0.22 H new ATOM 0 HE1 TYR A 79 -12.275 -17.060 -17.887 1.00 13.23 H new ATOM 0 HE2 TYR A 79 -12.465 -13.383 -20.038 1.00 65.41 H new ATOM 0 HH TYR A 79 -11.440 -15.183 -20.808 1.00 44.13 H new ATOM 1269 N THR A 80 -13.324 -14.460 -12.913 1.00 43.20 N ATOM 1270 CA THR A 80 -12.644 -15.509 -12.165 1.00 2.32 C ATOM 1271 C THR A 80 -13.602 -16.640 -11.810 1.00 30.12 C ATOM 1272 O THR A 80 -14.616 -16.423 -11.146 1.00 24.21 O ATOM 1273 CB THR A 80 -12.014 -14.958 -10.871 1.00 61.33 C ATOM 1274 OG1 THR A 80 -11.420 -16.026 -10.124 1.00 11.54 O ATOM 1275 CG2 THR A 80 -13.059 -14.255 -10.019 1.00 23.24 C ATOM 0 H THR A 80 -14.162 -14.094 -12.460 1.00 43.20 H new ATOM 0 HA THR A 80 -11.854 -15.895 -12.809 1.00 2.32 H new ATOM 0 HB THR A 80 -11.245 -14.235 -11.144 1.00 61.33 H new ATOM 0 HG1 THR A 80 -11.020 -15.669 -9.304 1.00 11.54 H new ATOM 0 HG21 THR A 80 -12.592 -13.874 -9.111 1.00 23.24 H new ATOM 0 HG22 THR A 80 -13.489 -13.426 -10.581 1.00 23.24 H new ATOM 0 HG23 THR A 80 -13.846 -14.960 -9.754 1.00 23.24 H new ATOM 1283 N VAL A 81 -13.274 -17.849 -12.254 1.00 43.00 N ATOM 1284 CA VAL A 81 -14.105 -19.016 -11.981 1.00 45.43 C ATOM 1285 C VAL A 81 -13.601 -19.775 -10.759 1.00 25.11 C ATOM 1286 O VAL A 81 -12.426 -20.139 -10.681 1.00 71.50 O ATOM 1287 CB VAL A 81 -14.142 -19.973 -13.188 1.00 1.24 C ATOM 1288 CG1 VAL A 81 -14.801 -19.301 -14.383 1.00 1.20 C ATOM 1289 CG2 VAL A 81 -12.738 -20.443 -13.537 1.00 61.31 C ATOM 0 H VAL A 81 -12.438 -18.046 -12.805 1.00 43.00 H new ATOM 0 HA VAL A 81 -15.113 -18.649 -11.787 1.00 45.43 H new ATOM 0 HB VAL A 81 -14.737 -20.846 -12.920 1.00 1.24 H new ATOM 0 HG11 VAL A 81 -14.818 -19.992 -15.226 1.00 1.20 H new ATOM 0 HG12 VAL A 81 -15.822 -19.019 -14.125 1.00 1.20 H new ATOM 0 HG13 VAL A 81 -14.236 -18.410 -14.656 1.00 1.20 H new ATOM 0 HG21 VAL A 81 -12.782 -21.118 -14.392 1.00 61.31 H new ATOM 0 HG22 VAL A 81 -12.118 -19.582 -13.786 1.00 61.31 H new ATOM 0 HG23 VAL A 81 -12.307 -20.966 -12.683 1.00 61.31 H new ATOM 1299 N LEU A 82 -14.495 -20.013 -9.807 1.00 51.13 N ATOM 1300 CA LEU A 82 -14.142 -20.731 -8.587 1.00 70.14 C ATOM 1301 C LEU A 82 -14.626 -22.176 -8.647 1.00 30.43 C ATOM 1302 O LEU A 82 -15.828 -22.436 -8.695 1.00 63.13 O ATOM 1303 CB LEU A 82 -14.743 -20.030 -7.368 1.00 34.23 C ATOM 1304 CG LEU A 82 -14.472 -20.689 -6.014 1.00 52.43 C ATOM 1305 CD1 LEU A 82 -13.333 -19.983 -5.295 1.00 32.01 C ATOM 1306 CD2 LEU A 82 -15.731 -20.683 -5.157 1.00 63.23 C ATOM 0 H LEU A 82 -15.471 -19.719 -9.856 1.00 51.13 H new ATOM 0 HA LEU A 82 -13.056 -20.734 -8.498 1.00 70.14 H new ATOM 0 HB2 LEU A 82 -14.362 -19.009 -7.336 1.00 34.23 H new ATOM 0 HB3 LEU A 82 -15.822 -19.963 -7.508 1.00 34.23 H new ATOM 0 HG LEU A 82 -14.179 -21.724 -6.187 1.00 52.43 H new ATOM 0 HD11 LEU A 82 -13.155 -20.466 -4.334 1.00 32.01 H new ATOM 0 HD12 LEU A 82 -12.429 -20.039 -5.902 1.00 32.01 H new ATOM 0 HD13 LEU A 82 -13.597 -18.938 -5.133 1.00 32.01 H new ATOM 0 HD21 LEU A 82 -15.520 -21.155 -4.198 1.00 63.23 H new ATOM 0 HD22 LEU A 82 -16.054 -19.655 -4.992 1.00 63.23 H new ATOM 0 HD23 LEU A 82 -16.521 -21.234 -5.667 1.00 63.23 H new ATOM 1318 N GLN A 83 -13.681 -23.111 -8.640 1.00 23.14 N ATOM 1319 CA GLN A 83 -14.012 -24.531 -8.691 1.00 3.11 C ATOM 1320 C GLN A 83 -13.646 -25.223 -7.381 1.00 53.34 C ATOM 1321 O GLN A 83 -12.907 -24.675 -6.564 1.00 61.32 O ATOM 1322 CB GLN A 83 -13.285 -25.203 -9.857 1.00 25.44 C ATOM 1323 CG GLN A 83 -13.358 -24.416 -11.155 1.00 14.44 C ATOM 1324 CD GLN A 83 -14.765 -24.344 -11.715 1.00 72.21 C ATOM 1325 OE1 GLN A 83 -15.493 -23.379 -11.475 1.00 65.10 O ATOM 1326 NE2 GLN A 83 -15.158 -25.367 -12.466 1.00 4.34 N ATOM 0 H GLN A 83 -12.682 -22.912 -8.600 1.00 23.14 H new ATOM 0 HA GLN A 83 -15.088 -24.623 -8.841 1.00 3.11 H new ATOM 0 HB2 GLN A 83 -12.239 -25.347 -9.587 1.00 25.44 H new ATOM 0 HB3 GLN A 83 -13.711 -26.193 -10.018 1.00 25.44 H new ATOM 0 HG2 GLN A 83 -12.987 -23.405 -10.984 1.00 14.44 H new ATOM 0 HG3 GLN A 83 -12.701 -24.877 -11.892 1.00 14.44 H new ATOM 0 HE21 GLN A 83 -14.523 -26.146 -12.639 1.00 4.34 H new ATOM 0 HE22 GLN A 83 -16.095 -25.373 -12.869 1.00 4.34 H new ATOM 1335 N ASP A 84 -14.171 -26.428 -7.190 1.00 0.35 N ATOM 1336 CA ASP A 84 -13.899 -27.196 -5.979 1.00 54.32 C ATOM 1337 C ASP A 84 -12.399 -27.292 -5.722 1.00 2.12 C ATOM 1338 O ASP A 84 -11.595 -27.219 -6.650 1.00 22.22 O ATOM 1339 CB ASP A 84 -14.501 -28.597 -6.093 1.00 54.31 C ATOM 1340 CG ASP A 84 -14.796 -29.212 -4.739 1.00 72.33 C ATOM 1341 OD1 ASP A 84 -15.459 -28.545 -3.915 1.00 64.34 O ATOM 1342 OD2 ASP A 84 -14.366 -30.360 -4.503 1.00 42.23 O ATOM 0 H ASP A 84 -14.786 -26.894 -7.856 1.00 0.35 H new ATOM 0 HA ASP A 84 -14.360 -26.678 -5.138 1.00 54.32 H new ATOM 0 HB2 ASP A 84 -15.421 -28.548 -6.675 1.00 54.31 H new ATOM 0 HB3 ASP A 84 -13.813 -29.242 -6.640 1.00 54.31 H new ATOM 1347 N ASN A 85 -12.030 -27.456 -4.456 1.00 53.21 N ATOM 1348 CA ASN A 85 -10.626 -27.561 -4.076 1.00 63.02 C ATOM 1349 C ASN A 85 -9.957 -28.736 -4.784 1.00 54.12 C ATOM 1350 O ASN A 85 -10.615 -29.656 -5.269 1.00 72.24 O ATOM 1351 CB ASN A 85 -10.497 -27.724 -2.561 1.00 1.32 C ATOM 1352 CG ASN A 85 -10.400 -26.391 -1.842 1.00 32.41 C ATOM 1353 OD1 ASN A 85 -10.757 -25.349 -2.392 1.00 71.30 O ATOM 1354 ND2 ASN A 85 -9.916 -26.420 -0.606 1.00 45.01 N ATOM 0 H ASN A 85 -12.684 -27.519 -3.676 1.00 53.21 H new ATOM 0 HA ASN A 85 -10.124 -26.643 -4.380 1.00 63.02 H new ATOM 0 HB2 ASN A 85 -11.358 -28.276 -2.183 1.00 1.32 H new ATOM 0 HB3 ASN A 85 -9.613 -28.320 -2.336 1.00 1.32 H new ATOM 0 HD21 ASN A 85 -9.828 -25.555 -0.072 1.00 45.01 H new ATOM 0 HD22 ASN A 85 -9.632 -27.307 -0.190 1.00 45.01 H new ATOM 1361 N PRO A 86 -8.618 -28.705 -4.845 1.00 13.11 N ATOM 1362 CA PRO A 86 -7.830 -29.760 -5.489 1.00 52.10 C ATOM 1363 C PRO A 86 -7.863 -31.069 -4.707 1.00 14.01 C ATOM 1364 O PRO A 86 -8.424 -31.134 -3.613 1.00 21.35 O ATOM 1365 CB PRO A 86 -6.413 -29.183 -5.507 1.00 62.33 C ATOM 1366 CG PRO A 86 -6.383 -28.216 -4.376 1.00 10.11 C ATOM 1367 CD PRO A 86 -7.769 -27.639 -4.288 1.00 10.14 C ATOM 0 HA PRO A 86 -8.216 -30.011 -6.477 1.00 52.10 H new ATOM 0 HB2 PRO A 86 -5.665 -29.966 -5.378 1.00 62.33 H new ATOM 0 HB3 PRO A 86 -6.198 -28.690 -6.455 1.00 62.33 H new ATOM 0 HG2 PRO A 86 -6.107 -28.712 -3.446 1.00 10.11 H new ATOM 0 HG3 PRO A 86 -5.645 -27.433 -4.551 1.00 10.11 H new ATOM 0 HD2 PRO A 86 -8.042 -27.404 -3.259 1.00 10.14 H new ATOM 0 HD3 PRO A 86 -7.857 -26.715 -4.860 1.00 10.14 H new ATOM 1375 N ARG A 87 -7.259 -32.107 -5.274 1.00 31.20 N ATOM 1376 CA ARG A 87 -7.220 -33.415 -4.630 1.00 13.25 C ATOM 1377 C ARG A 87 -5.854 -33.669 -3.998 1.00 70.01 C ATOM 1378 O ARG A 87 -4.921 -32.884 -4.172 1.00 73.14 O ATOM 1379 CB ARG A 87 -7.538 -34.516 -5.642 1.00 53.53 C ATOM 1380 CG ARG A 87 -9.027 -34.760 -5.829 1.00 32.00 C ATOM 1381 CD ARG A 87 -9.573 -35.707 -4.771 1.00 52.32 C ATOM 1382 NE ARG A 87 -11.033 -35.717 -4.747 1.00 51.44 N ATOM 1383 CZ ARG A 87 -11.748 -36.230 -3.753 1.00 14.25 C ATOM 1384 NH1 ARG A 87 -11.142 -36.769 -2.705 1.00 24.41 N ATOM 1385 NH2 ARG A 87 -13.074 -36.202 -3.804 1.00 1.22 N ATOM 0 H ARG A 87 -6.789 -32.068 -6.179 1.00 31.20 H new ATOM 0 HA ARG A 87 -7.974 -33.427 -3.843 1.00 13.25 H new ATOM 0 HB2 ARG A 87 -7.098 -34.252 -6.604 1.00 53.53 H new ATOM 0 HB3 ARG A 87 -7.064 -35.443 -5.319 1.00 53.53 H new ATOM 0 HG2 ARG A 87 -9.561 -33.811 -5.780 1.00 32.00 H new ATOM 0 HG3 ARG A 87 -9.207 -35.177 -6.820 1.00 32.00 H new ATOM 0 HD2 ARG A 87 -9.207 -36.715 -4.963 1.00 52.32 H new ATOM 0 HD3 ARG A 87 -9.196 -35.412 -3.792 1.00 52.32 H new ATOM 0 HE ARG A 87 -11.531 -35.307 -5.537 1.00 51.44 H new ATOM 0 HH11 ARG A 87 -10.123 -36.791 -2.660 1.00 24.41 H new ATOM 0 HH12 ARG A 87 -11.694 -37.162 -1.943 1.00 24.41 H new ATOM 0 HH21 ARG A 87 -13.545 -35.786 -4.608 1.00 1.22 H new ATOM 0 HH22 ARG A 87 -13.622 -36.597 -3.040 1.00 1.22 H new ATOM 1399 N THR A 88 -5.744 -34.770 -3.263 1.00 33.35 N ATOM 1400 CA THR A 88 -4.495 -35.127 -2.603 1.00 23.23 C ATOM 1401 C THR A 88 -4.207 -36.618 -2.741 1.00 22.13 C ATOM 1402 O THR A 88 -5.114 -37.446 -2.648 1.00 31.43 O ATOM 1403 CB THR A 88 -4.522 -34.757 -1.108 1.00 23.50 C ATOM 1404 OG1 THR A 88 -3.274 -35.101 -0.496 1.00 12.25 O ATOM 1405 CG2 THR A 88 -5.659 -35.473 -0.394 1.00 65.44 C ATOM 0 H THR A 88 -6.506 -35.431 -3.110 1.00 33.35 H new ATOM 0 HA THR A 88 -3.705 -34.560 -3.095 1.00 23.23 H new ATOM 0 HB THR A 88 -4.682 -33.682 -1.024 1.00 23.50 H new ATOM 0 HG1 THR A 88 -3.298 -34.861 0.454 1.00 12.25 H new ATOM 0 HG21 THR A 88 -5.658 -35.196 0.660 1.00 65.44 H new ATOM 0 HG22 THR A 88 -6.609 -35.186 -0.844 1.00 65.44 H new ATOM 0 HG23 THR A 88 -5.525 -36.551 -0.486 1.00 65.44 H new ATOM 1413 N ILE A 89 -2.940 -36.954 -2.961 1.00 53.13 N ATOM 1414 CA ILE A 89 -2.534 -38.345 -3.110 1.00 24.44 C ATOM 1415 C ILE A 89 -3.380 -39.057 -4.159 1.00 53.15 C ATOM 1416 O ILE A 89 -3.711 -40.234 -4.014 1.00 31.11 O ATOM 1417 CB ILE A 89 -2.641 -39.109 -1.776 1.00 74.24 C ATOM 1418 CG1 ILE A 89 -2.145 -38.236 -0.622 1.00 45.00 C ATOM 1419 CG2 ILE A 89 -1.852 -40.407 -1.843 1.00 60.33 C ATOM 1420 CD1 ILE A 89 -2.196 -38.925 0.723 1.00 75.44 C ATOM 0 H ILE A 89 -2.177 -36.281 -3.040 1.00 53.13 H new ATOM 0 HA ILE A 89 -1.493 -38.336 -3.432 1.00 24.44 H new ATOM 0 HB ILE A 89 -3.688 -39.353 -1.598 1.00 74.24 H new ATOM 0 HG12 ILE A 89 -1.119 -37.929 -0.825 1.00 45.00 H new ATOM 0 HG13 ILE A 89 -2.747 -37.328 -0.579 1.00 45.00 H new ATOM 0 HG21 ILE A 89 -1.938 -40.934 -0.893 1.00 60.33 H new ATOM 0 HG22 ILE A 89 -2.248 -41.033 -2.643 1.00 60.33 H new ATOM 0 HG23 ILE A 89 -0.803 -40.186 -2.041 1.00 60.33 H new ATOM 0 HD11 ILE A 89 -1.830 -38.247 1.493 1.00 75.44 H new ATOM 0 HD12 ILE A 89 -3.224 -39.208 0.948 1.00 75.44 H new ATOM 0 HD13 ILE A 89 -1.571 -39.818 0.698 1.00 75.44 H new ATOM 1432 N VAL A 90 -3.729 -38.335 -5.220 1.00 63.12 N ATOM 1433 CA VAL A 90 -4.535 -38.897 -6.296 1.00 53.35 C ATOM 1434 C VAL A 90 -3.941 -40.208 -6.801 1.00 12.11 C ATOM 1435 O VAL A 90 -2.746 -40.469 -6.666 1.00 33.25 O ATOM 1436 CB VAL A 90 -4.659 -37.914 -7.477 1.00 31.54 C ATOM 1437 CG1 VAL A 90 -5.662 -36.817 -7.155 1.00 4.43 C ATOM 1438 CG2 VAL A 90 -3.300 -37.323 -7.823 1.00 34.55 C ATOM 0 H VAL A 90 -3.465 -37.359 -5.356 1.00 63.12 H new ATOM 0 HA VAL A 90 -5.526 -39.085 -5.884 1.00 53.35 H new ATOM 0 HB VAL A 90 -5.023 -38.461 -8.347 1.00 31.54 H new ATOM 0 HG11 VAL A 90 -5.736 -36.133 -8.000 1.00 4.43 H new ATOM 0 HG12 VAL A 90 -6.638 -37.262 -6.961 1.00 4.43 H new ATOM 0 HG13 VAL A 90 -5.331 -36.269 -6.272 1.00 4.43 H new ATOM 0 HG21 VAL A 90 -3.406 -36.631 -8.659 1.00 34.55 H new ATOM 0 HG22 VAL A 90 -2.904 -36.790 -6.959 1.00 34.55 H new ATOM 0 HG23 VAL A 90 -2.615 -38.124 -8.100 1.00 34.55 H new ATOM 1448 N PRO A 91 -4.795 -41.053 -7.398 1.00 51.11 N ATOM 1449 CA PRO A 91 -4.377 -42.350 -7.935 1.00 61.34 C ATOM 1450 C PRO A 91 -3.499 -42.209 -9.174 1.00 25.11 C ATOM 1451 O PRO A 91 -3.962 -41.788 -10.234 1.00 30.25 O ATOM 1452 CB PRO A 91 -5.702 -43.029 -8.295 1.00 52.35 C ATOM 1453 CG PRO A 91 -6.651 -41.904 -8.532 1.00 44.12 C ATOM 1454 CD PRO A 91 -6.234 -40.806 -7.594 1.00 1.32 C ATOM 0 HA PRO A 91 -3.774 -42.911 -7.221 1.00 61.34 H new ATOM 0 HB2 PRO A 91 -5.599 -43.654 -9.182 1.00 52.35 H new ATOM 0 HB3 PRO A 91 -6.048 -43.676 -7.488 1.00 52.35 H new ATOM 0 HG2 PRO A 91 -6.608 -41.569 -9.568 1.00 44.12 H new ATOM 0 HG3 PRO A 91 -7.678 -42.213 -8.339 1.00 44.12 H new ATOM 0 HD2 PRO A 91 -6.418 -39.821 -8.022 1.00 1.32 H new ATOM 0 HD3 PRO A 91 -6.782 -40.852 -6.653 1.00 1.32 H new ATOM 1462 N LYS A 92 -2.226 -42.565 -9.033 1.00 0.02 N ATOM 1463 CA LYS A 92 -1.281 -42.479 -10.140 1.00 23.43 C ATOM 1464 C LYS A 92 -0.190 -43.539 -10.007 1.00 55.43 C ATOM 1465 O LYS A 92 0.306 -43.798 -8.912 1.00 45.21 O ATOM 1466 CB LYS A 92 -0.649 -41.087 -10.193 1.00 3.22 C ATOM 1467 CG LYS A 92 0.179 -40.748 -8.965 1.00 54.23 C ATOM 1468 CD LYS A 92 0.400 -39.249 -8.838 1.00 65.22 C ATOM 1469 CE LYS A 92 0.882 -38.873 -7.446 1.00 12.44 C ATOM 1470 NZ LYS A 92 2.367 -38.911 -7.343 1.00 54.11 N ATOM 0 H LYS A 92 -1.825 -42.916 -8.163 1.00 0.02 H new ATOM 0 HA LYS A 92 -1.828 -42.658 -11.066 1.00 23.43 H new ATOM 0 HB2 LYS A 92 -0.016 -41.018 -11.078 1.00 3.22 H new ATOM 0 HB3 LYS A 92 -1.438 -40.343 -10.306 1.00 3.22 H new ATOM 0 HG2 LYS A 92 -0.324 -41.120 -8.072 1.00 54.23 H new ATOM 0 HG3 LYS A 92 1.142 -41.255 -9.023 1.00 54.23 H new ATOM 0 HD2 LYS A 92 1.132 -38.924 -9.578 1.00 65.22 H new ATOM 0 HD3 LYS A 92 -0.529 -38.723 -9.057 1.00 65.22 H new ATOM 0 HE2 LYS A 92 0.526 -37.873 -7.196 1.00 12.44 H new ATOM 0 HE3 LYS A 92 0.450 -39.557 -6.715 1.00 12.44 H new ATOM 0 HZ1 LYS A 92 2.655 -38.648 -6.379 1.00 54.11 H new ATOM 0 HZ2 LYS A 92 2.705 -39.871 -7.556 1.00 54.11 H new ATOM 0 HZ3 LYS A 92 2.779 -38.240 -8.022 1.00 54.11 H new ATOM 1484 N SER A 93 0.176 -44.148 -11.131 1.00 3.22 N ATOM 1485 CA SER A 93 1.206 -45.180 -11.139 1.00 64.13 C ATOM 1486 C SER A 93 1.502 -45.641 -12.564 1.00 12.12 C ATOM 1487 O SER A 93 0.606 -45.702 -13.406 1.00 65.15 O ATOM 1488 CB SER A 93 0.770 -46.372 -10.286 1.00 31.33 C ATOM 1489 OG SER A 93 1.220 -46.235 -8.949 1.00 51.21 O ATOM 0 H SER A 93 -0.225 -43.945 -12.047 1.00 3.22 H new ATOM 0 HA SER A 93 2.116 -44.754 -10.717 1.00 64.13 H new ATOM 0 HB2 SER A 93 -0.317 -46.455 -10.300 1.00 31.33 H new ATOM 0 HB3 SER A 93 1.166 -47.293 -10.714 1.00 31.33 H new ATOM 0 HG SER A 93 0.880 -45.396 -8.574 1.00 51.21 H new ATOM 1495 N TYR A 94 2.764 -45.964 -12.824 1.00 35.03 N ATOM 1496 CA TYR A 94 3.179 -46.417 -14.146 1.00 12.40 C ATOM 1497 C TYR A 94 4.609 -46.946 -14.116 1.00 5.42 C ATOM 1498 O TYR A 94 5.534 -46.245 -13.703 1.00 0.41 O ATOM 1499 CB TYR A 94 3.066 -45.276 -15.158 1.00 41.14 C ATOM 1500 CG TYR A 94 3.953 -44.094 -14.840 1.00 2.33 C ATOM 1501 CD1 TYR A 94 3.568 -43.144 -13.901 1.00 72.13 C ATOM 1502 CD2 TYR A 94 5.176 -43.926 -15.477 1.00 45.31 C ATOM 1503 CE1 TYR A 94 4.374 -42.061 -13.607 1.00 23.42 C ATOM 1504 CE2 TYR A 94 5.990 -42.847 -15.188 1.00 65.13 C ATOM 1505 CZ TYR A 94 5.585 -41.919 -14.252 1.00 44.24 C ATOM 1506 OH TYR A 94 6.392 -40.842 -13.963 1.00 62.11 O ATOM 0 H TYR A 94 3.517 -45.921 -12.137 1.00 35.03 H new ATOM 0 HA TYR A 94 2.517 -47.228 -14.449 1.00 12.40 H new ATOM 0 HB2 TYR A 94 3.320 -45.654 -16.148 1.00 41.14 H new ATOM 0 HB3 TYR A 94 2.030 -44.941 -15.201 1.00 41.14 H new ATOM 0 HD1 TYR A 94 2.622 -43.254 -13.392 1.00 72.13 H new ATOM 0 HD2 TYR A 94 5.496 -44.651 -16.211 1.00 45.31 H new ATOM 0 HE1 TYR A 94 4.058 -41.330 -12.877 1.00 23.42 H new ATOM 0 HE2 TYR A 94 6.938 -42.731 -15.692 1.00 65.13 H new ATOM 0 HH TYR A 94 7.209 -40.891 -14.502 1.00 62.11 H new ATOM 1516 N ALA A 95 4.785 -48.187 -14.558 1.00 1.13 N ATOM 1517 CA ALA A 95 6.103 -48.810 -14.585 1.00 15.32 C ATOM 1518 C ALA A 95 6.603 -48.973 -16.015 1.00 64.25 C ATOM 1519 O ALA A 95 6.154 -49.858 -16.743 1.00 70.32 O ATOM 1520 CB ALA A 95 6.063 -50.157 -13.880 1.00 63.42 C ATOM 0 H ALA A 95 4.031 -48.781 -14.902 1.00 1.13 H new ATOM 0 HA ALA A 95 6.798 -48.157 -14.058 1.00 15.32 H new ATOM 0 HB1 ALA A 95 7.053 -50.612 -13.907 1.00 63.42 H new ATOM 0 HB2 ALA A 95 5.757 -50.016 -12.843 1.00 63.42 H new ATOM 0 HB3 ALA A 95 5.350 -50.810 -14.383 1.00 63.42 H new ATOM 1526 N ASP A 96 7.535 -48.113 -16.413 1.00 32.23 N ATOM 1527 CA ASP A 96 8.097 -48.163 -17.757 1.00 0.11 C ATOM 1528 C ASP A 96 9.532 -48.679 -17.728 1.00 1.53 C ATOM 1529 O ASP A 96 10.440 -47.994 -17.257 1.00 53.44 O ATOM 1530 CB ASP A 96 8.055 -46.777 -18.402 1.00 53.33 C ATOM 1531 CG ASP A 96 8.013 -46.844 -19.916 1.00 54.30 C ATOM 1532 OD1 ASP A 96 7.567 -47.880 -20.453 1.00 30.35 O ATOM 1533 OD2 ASP A 96 8.424 -45.859 -20.565 1.00 33.34 O ATOM 0 H ASP A 96 7.917 -47.373 -15.824 1.00 32.23 H new ATOM 0 HA ASP A 96 7.494 -48.851 -18.350 1.00 0.11 H new ATOM 0 HB2 ASP A 96 7.179 -46.238 -18.041 1.00 53.33 H new ATOM 0 HB3 ASP A 96 8.931 -46.208 -18.091 1.00 53.33 H new ATOM 1538 N ASN A 97 9.730 -49.893 -18.231 1.00 15.30 N ATOM 1539 CA ASN A 97 11.054 -50.502 -18.261 1.00 64.20 C ATOM 1540 C ASN A 97 11.219 -51.386 -19.493 1.00 62.03 C ATOM 1541 O ASN A 97 10.425 -52.295 -19.730 1.00 72.45 O ATOM 1542 CB ASN A 97 11.287 -51.328 -16.994 1.00 3.01 C ATOM 1543 CG ASN A 97 10.710 -50.665 -15.758 1.00 42.20 C ATOM 1544 OD1 ASN A 97 11.165 -49.599 -15.342 1.00 74.42 O ATOM 1545 ND2 ASN A 97 9.702 -51.296 -15.164 1.00 44.50 N ATOM 0 H ASN A 97 8.990 -50.475 -18.624 1.00 15.30 H new ATOM 0 HA ASN A 97 11.793 -49.702 -18.308 1.00 64.20 H new ATOM 0 HB2 ASN A 97 10.837 -52.313 -17.118 1.00 3.01 H new ATOM 0 HB3 ASN A 97 12.357 -51.481 -16.855 1.00 3.01 H new ATOM 0 HD21 ASN A 97 9.273 -50.899 -14.328 1.00 44.50 H new ATOM 0 HD22 ASN A 97 9.357 -52.178 -15.544 1.00 44.50 H new ATOM 1552 N PHE A 98 12.258 -51.111 -20.276 1.00 74.24 N ATOM 1553 CA PHE A 98 12.528 -51.881 -21.485 1.00 51.34 C ATOM 1554 C PHE A 98 14.024 -51.918 -21.784 1.00 74.21 C ATOM 1555 O PHE A 98 14.722 -50.913 -21.646 1.00 44.42 O ATOM 1556 CB PHE A 98 11.774 -51.281 -22.676 1.00 23.23 C ATOM 1557 CG PHE A 98 12.064 -49.824 -22.896 1.00 11.24 C ATOM 1558 CD1 PHE A 98 11.372 -48.853 -22.190 1.00 3.53 C ATOM 1559 CD2 PHE A 98 13.026 -49.425 -23.809 1.00 3.41 C ATOM 1560 CE1 PHE A 98 11.636 -47.511 -22.390 1.00 3.53 C ATOM 1561 CE2 PHE A 98 13.295 -48.085 -24.013 1.00 13.42 C ATOM 1562 CZ PHE A 98 12.598 -47.126 -23.303 1.00 10.33 C ATOM 0 H PHE A 98 12.926 -50.362 -20.095 1.00 74.24 H new ATOM 0 HA PHE A 98 12.183 -52.902 -21.320 1.00 51.34 H new ATOM 0 HB2 PHE A 98 12.035 -51.835 -23.578 1.00 23.23 H new ATOM 0 HB3 PHE A 98 10.703 -51.411 -22.521 1.00 23.23 H new ATOM 0 HD1 PHE A 98 10.618 -49.148 -21.475 1.00 3.53 H new ATOM 0 HD2 PHE A 98 13.572 -50.170 -24.368 1.00 3.41 H new ATOM 0 HE1 PHE A 98 11.090 -46.764 -21.833 1.00 3.53 H new ATOM 0 HE2 PHE A 98 14.049 -47.788 -24.727 1.00 13.42 H new ATOM 0 HZ PHE A 98 12.805 -46.078 -23.462 1.00 10.33 H new ATOM 1572 N THR A 99 14.511 -53.086 -22.191 1.00 52.45 N ATOM 1573 CA THR A 99 15.923 -53.257 -22.507 1.00 2.24 C ATOM 1574 C THR A 99 16.198 -54.649 -23.065 1.00 34.10 C ATOM 1575 O THR A 99 15.738 -55.650 -22.516 1.00 64.44 O ATOM 1576 CB THR A 99 16.807 -53.031 -21.266 1.00 51.40 C ATOM 1577 OG1 THR A 99 18.189 -53.158 -21.619 1.00 65.41 O ATOM 1578 CG2 THR A 99 16.465 -54.027 -20.169 1.00 3.24 C ATOM 0 H THR A 99 13.948 -53.928 -22.309 1.00 52.45 H new ATOM 0 HA THR A 99 16.170 -52.511 -23.262 1.00 2.24 H new ATOM 0 HB THR A 99 16.619 -52.025 -20.892 1.00 51.40 H new ATOM 0 HG1 THR A 99 18.744 -53.011 -20.825 1.00 65.41 H new ATOM 0 HG21 THR A 99 17.102 -53.848 -19.303 1.00 3.24 H new ATOM 0 HG22 THR A 99 15.420 -53.907 -19.882 1.00 3.24 H new ATOM 0 HG23 THR A 99 16.627 -55.041 -20.535 1.00 3.24 H new ATOM 1586 N LYS A 100 16.949 -54.705 -24.160 1.00 23.15 N ATOM 1587 CA LYS A 100 17.287 -55.974 -24.792 1.00 61.40 C ATOM 1588 C LYS A 100 18.672 -55.914 -25.427 1.00 63.12 C ATOM 1589 O LYS A 100 19.191 -54.843 -25.742 1.00 63.32 O ATOM 1590 CB LYS A 100 16.243 -56.333 -25.852 1.00 4.40 C ATOM 1591 CG LYS A 100 15.808 -55.150 -26.702 1.00 21.55 C ATOM 1592 CD LYS A 100 15.106 -55.605 -27.970 1.00 51.33 C ATOM 1593 CE LYS A 100 13.732 -56.183 -27.671 1.00 21.30 C ATOM 1594 NZ LYS A 100 12.961 -56.455 -28.916 1.00 54.50 N ATOM 0 H LYS A 100 17.335 -53.885 -24.628 1.00 23.15 H new ATOM 0 HA LYS A 100 17.294 -56.745 -24.021 1.00 61.40 H new ATOM 0 HB2 LYS A 100 16.649 -57.107 -26.503 1.00 4.40 H new ATOM 0 HB3 LYS A 100 15.368 -56.757 -25.359 1.00 4.40 H new ATOM 0 HG2 LYS A 100 15.140 -54.511 -26.124 1.00 21.55 H new ATOM 0 HG3 LYS A 100 16.678 -54.548 -26.963 1.00 21.55 H new ATOM 0 HD2 LYS A 100 15.006 -54.762 -28.654 1.00 51.33 H new ATOM 0 HD3 LYS A 100 15.715 -56.355 -28.475 1.00 51.33 H new ATOM 0 HE2 LYS A 100 13.843 -57.107 -27.103 1.00 21.30 H new ATOM 0 HE3 LYS A 100 13.174 -55.488 -27.043 1.00 21.30 H new ATOM 0 HZ1 LYS A 100 12.030 -56.848 -28.669 1.00 54.50 H new ATOM 0 HZ2 LYS A 100 12.833 -55.569 -29.446 1.00 54.50 H new ATOM 0 HZ3 LYS A 100 13.480 -57.138 -29.504 1.00 54.50 H new ATOM 1608 N PRO A 101 19.287 -57.091 -25.621 1.00 54.43 N ATOM 1609 CA PRO A 101 20.619 -57.198 -26.222 1.00 3.04 C ATOM 1610 C PRO A 101 20.617 -56.843 -27.705 1.00 1.22 C ATOM 1611 O PRO A 101 19.608 -56.384 -28.241 1.00 71.21 O ATOM 1612 CB PRO A 101 20.980 -58.673 -26.025 1.00 52.21 C ATOM 1613 CG PRO A 101 19.669 -59.374 -25.933 1.00 51.22 C ATOM 1614 CD PRO A 101 18.728 -58.407 -25.269 1.00 10.22 C ATOM 0 HA PRO A 101 21.328 -56.507 -25.766 1.00 3.04 H new ATOM 0 HB2 PRO A 101 21.573 -59.050 -26.858 1.00 52.21 H new ATOM 0 HB3 PRO A 101 21.571 -58.819 -25.121 1.00 52.21 H new ATOM 0 HG2 PRO A 101 19.306 -59.655 -26.922 1.00 51.22 H new ATOM 0 HG3 PRO A 101 19.758 -60.293 -25.353 1.00 51.22 H new ATOM 0 HD2 PRO A 101 17.708 -58.522 -25.637 1.00 10.22 H new ATOM 0 HD3 PRO A 101 18.696 -58.554 -24.189 1.00 10.22 H new ATOM 1622 N ARG A 102 21.751 -57.059 -28.362 1.00 44.20 N ATOM 1623 CA ARG A 102 21.879 -56.762 -29.783 1.00 44.54 C ATOM 1624 C ARG A 102 22.562 -57.910 -30.520 1.00 45.04 C ATOM 1625 O ARG A 102 23.264 -57.696 -31.510 1.00 74.20 O ATOM 1626 CB ARG A 102 22.672 -55.469 -29.987 1.00 1.44 C ATOM 1627 CG ARG A 102 24.106 -55.548 -29.489 1.00 22.44 C ATOM 1628 CD ARG A 102 24.221 -55.093 -28.042 1.00 54.54 C ATOM 1629 NE ARG A 102 23.778 -53.712 -27.868 1.00 31.32 N ATOM 1630 CZ ARG A 102 23.652 -53.126 -26.682 1.00 53.52 C ATOM 1631 NH1 ARG A 102 23.935 -53.796 -25.574 1.00 53.02 N ATOM 1632 NH2 ARG A 102 23.243 -51.865 -26.604 1.00 25.34 N ATOM 0 H ARG A 102 22.595 -57.439 -27.933 1.00 44.20 H new ATOM 0 HA ARG A 102 20.877 -56.635 -30.192 1.00 44.54 H new ATOM 0 HB2 ARG A 102 22.678 -55.220 -31.048 1.00 1.44 H new ATOM 0 HB3 ARG A 102 22.162 -54.655 -29.472 1.00 1.44 H new ATOM 0 HG2 ARG A 102 24.467 -56.572 -29.579 1.00 22.44 H new ATOM 0 HG3 ARG A 102 24.745 -54.928 -30.118 1.00 22.44 H new ATOM 0 HD2 ARG A 102 23.625 -55.748 -27.407 1.00 54.54 H new ATOM 0 HD3 ARG A 102 25.256 -55.186 -27.713 1.00 54.54 H new ATOM 0 HE ARG A 102 23.553 -53.168 -28.701 1.00 31.32 H new ATOM 0 HH11 ARG A 102 24.251 -54.764 -25.630 1.00 53.02 H new ATOM 0 HH12 ARG A 102 23.837 -53.343 -24.665 1.00 53.02 H new ATOM 0 HH21 ARG A 102 23.025 -51.346 -27.455 1.00 25.34 H new ATOM 0 HH22 ARG A 102 23.146 -51.416 -25.693 1.00 25.34 H new ATOM 1646 N ASP A 103 22.353 -59.127 -30.032 1.00 22.12 N ATOM 1647 CA ASP A 103 22.947 -60.310 -30.643 1.00 65.01 C ATOM 1648 C ASP A 103 21.913 -61.421 -30.797 1.00 2.34 C ATOM 1649 O ASP A 103 21.386 -61.931 -29.809 1.00 43.41 O ATOM 1650 CB ASP A 103 24.127 -60.805 -29.805 1.00 30.44 C ATOM 1651 CG ASP A 103 25.110 -61.627 -30.616 1.00 73.11 C ATOM 1652 OD1 ASP A 103 24.881 -61.792 -31.833 1.00 5.30 O ATOM 1653 OD2 ASP A 103 26.105 -62.106 -30.035 1.00 11.43 O ATOM 0 H ASP A 103 21.776 -59.321 -29.214 1.00 22.12 H new ATOM 0 HA ASP A 103 23.306 -60.035 -31.635 1.00 65.01 H new ATOM 0 HB2 ASP A 103 24.645 -59.950 -29.371 1.00 30.44 H new ATOM 0 HB3 ASP A 103 23.753 -61.406 -28.976 1.00 30.44 H new ATOM 1658 N MET A 104 21.628 -61.788 -32.042 1.00 33.42 N ATOM 1659 CA MET A 104 20.657 -62.839 -32.324 1.00 15.41 C ATOM 1660 C MET A 104 21.122 -64.176 -31.756 1.00 52.15 C ATOM 1661 O MET A 104 22.249 -64.608 -32.003 1.00 13.34 O ATOM 1662 CB MET A 104 20.429 -62.962 -33.832 1.00 4.05 C ATOM 1663 CG MET A 104 19.106 -63.616 -34.196 1.00 50.51 C ATOM 1664 SD MET A 104 18.485 -63.077 -35.801 1.00 32.31 S ATOM 1665 CE MET A 104 19.059 -64.410 -36.850 1.00 42.31 C ATOM 0 H MET A 104 22.055 -61.374 -32.871 1.00 33.42 H new ATOM 0 HA MET A 104 19.717 -62.569 -31.844 1.00 15.41 H new ATOM 0 HB2 MET A 104 20.469 -61.969 -34.279 1.00 4.05 H new ATOM 0 HB3 MET A 104 21.243 -63.541 -34.268 1.00 4.05 H new ATOM 0 HG2 MET A 104 19.230 -64.699 -34.203 1.00 50.51 H new ATOM 0 HG3 MET A 104 18.367 -63.385 -33.428 1.00 50.51 H new ATOM 0 HE1 MET A 104 18.752 -64.221 -37.879 1.00 42.31 H new ATOM 0 HE2 MET A 104 20.146 -64.469 -36.801 1.00 42.31 H new ATOM 0 HE3 MET A 104 18.628 -65.352 -36.510 1.00 42.31 H new TER 1675 MET A 104