USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 923 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 ASN : amide:sc= -2.27 X(o=-11,f=-12!) USER MOD Set 1.2: A 45 ASN : amide:sc= -9! C(o=-11!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 60:sc= -1.02 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -141:sc= -3.01! (180deg=-6.13!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -149:sc= 0.0133 (180deg=-0.488) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc=-0.00104 (180deg=-0.092) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -143:sc= 0.495 (180deg=-0.339) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 47 CYS SG : rot 112:sc= -2.14 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.53 F(o=-2.1,f=-0.53) USER MOD Single : A 52 CYS SG : rot 180:sc= -2.99! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.335 F(o=-1.4,f=-0.34) USER MOD Single : A 67 GLN : amide:sc= 0.329 K(o=0.33,f=-2.8!) USER MOD Single : A 71 MET CE :methyl -146:sc= -0.0725 (180deg=-0.15) USER MOD Single : A 74 SER OG : rot -71:sc= 0.621 USER MOD Single : A 75 SER OG : rot 52:sc= 1.12 USER MOD Single : A 78 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.56) USER MOD Single : A 81 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 88 MET CE :methyl -174:sc= 0 (180deg=-0.0746) USER MOD Single : A 89 SER OG : rot -160:sc= -0.56 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 107:sc= 0.0728 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN :FLIP amide:sc= -1 F(o=-1.9!,f=-1) USER MOD Single : A 104 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.9) USER MOD Single : A 109 TYR OH : rot 180:sc= -1.52 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 170:sc= 0 USER MOD Single : A 118 CYS SG : rot 16:sc= 0.19 USER MOD Single : A 121 ASN : amide:sc= -2.06! C(o=-2.1!,f=-4.4!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 43:sc= 0.56 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.929 28.820 15.643 1.00 0.00 N ATOM 2 CA GLY A 1 -9.992 29.871 15.993 1.00 0.00 C ATOM 3 C GLY A 1 -8.620 29.650 15.387 1.00 0.00 C ATOM 4 O GLY A 1 -8.357 30.070 14.260 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.851 29.017 16.081 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.038 28.782 14.609 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.570 27.906 15.987 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.384 30.830 15.656 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.902 29.927 17.078 1.00 0.00 H new ATOM 8 N SER A 2 -7.743 28.989 16.136 1.00 0.00 N ATOM 9 CA SER A 2 -6.389 28.718 15.668 1.00 0.00 C ATOM 10 C SER A 2 -6.240 27.257 15.254 1.00 0.00 C ATOM 11 O SER A 2 -6.848 26.367 15.847 1.00 0.00 O ATOM 12 CB SER A 2 -5.372 29.057 16.759 1.00 0.00 C ATOM 13 OG SER A 2 -4.049 29.022 16.252 1.00 0.00 O ATOM 0 H SER A 2 -7.946 28.631 17.069 1.00 0.00 H new ATOM 0 HA SER A 2 -6.199 29.346 14.797 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.584 30.047 17.163 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.468 28.349 17.583 1.00 0.00 H new ATOM 0 HG SER A 2 -3.418 29.244 16.968 1.00 0.00 H new ATOM 19 N SER A 3 -5.426 27.019 14.230 1.00 0.00 N ATOM 20 CA SER A 3 -5.199 25.667 13.733 1.00 0.00 C ATOM 21 C SER A 3 -3.907 25.089 14.302 1.00 0.00 C ATOM 22 O SER A 3 -3.929 24.119 15.059 1.00 0.00 O ATOM 23 CB SER A 3 -5.140 25.667 12.204 1.00 0.00 C ATOM 24 OG SER A 3 -4.857 24.371 11.705 1.00 0.00 O ATOM 0 H SER A 3 -4.913 27.744 13.729 1.00 0.00 H new ATOM 0 HA SER A 3 -6.031 25.042 14.058 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.090 26.016 11.800 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.374 26.365 11.866 1.00 0.00 H new ATOM 0 HG SER A 3 -4.826 24.397 10.726 1.00 0.00 H new ATOM 30 N GLY A 4 -2.782 25.692 13.932 1.00 0.00 N ATOM 31 CA GLY A 4 -1.495 25.224 14.415 1.00 0.00 C ATOM 32 C GLY A 4 -0.457 25.145 13.314 1.00 0.00 C ATOM 33 O GLY A 4 -0.490 24.237 12.484 1.00 0.00 O ATOM 0 H GLY A 4 -2.738 26.496 13.306 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.139 25.893 15.198 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.616 24.240 14.867 1.00 0.00 H new ATOM 37 N SER A 5 0.467 26.101 13.304 1.00 0.00 N ATOM 38 CA SER A 5 1.517 26.139 12.293 1.00 0.00 C ATOM 39 C SER A 5 2.791 25.475 12.808 1.00 0.00 C ATOM 40 O SER A 5 2.979 25.320 14.014 1.00 0.00 O ATOM 41 CB SER A 5 1.810 27.584 11.886 1.00 0.00 C ATOM 42 OG SER A 5 0.732 28.135 11.150 1.00 0.00 O ATOM 0 H SER A 5 0.510 26.859 13.985 1.00 0.00 H new ATOM 0 HA SER A 5 1.168 25.587 11.420 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.992 28.186 12.776 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.719 27.619 11.286 1.00 0.00 H new ATOM 0 HG SER A 5 0.943 29.060 10.903 1.00 0.00 H new ATOM 48 N SER A 6 3.663 25.086 11.883 1.00 0.00 N ATOM 49 CA SER A 6 4.918 24.435 12.241 1.00 0.00 C ATOM 50 C SER A 6 5.793 24.229 11.009 1.00 0.00 C ATOM 51 O SER A 6 5.295 23.959 9.917 1.00 0.00 O ATOM 52 CB SER A 6 4.644 23.090 12.917 1.00 0.00 C ATOM 53 OG SER A 6 5.844 22.506 13.395 1.00 0.00 O ATOM 0 H SER A 6 3.523 25.210 10.880 1.00 0.00 H new ATOM 0 HA SER A 6 5.449 25.083 12.938 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.949 23.230 13.745 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.164 22.415 12.209 1.00 0.00 H new ATOM 0 HG SER A 6 5.642 21.648 13.824 1.00 0.00 H new ATOM 59 N GLY A 7 7.104 24.359 11.194 1.00 0.00 N ATOM 60 CA GLY A 7 8.029 24.184 10.090 1.00 0.00 C ATOM 61 C GLY A 7 7.903 25.278 9.048 1.00 0.00 C ATOM 62 O GLY A 7 6.808 25.783 8.799 1.00 0.00 O ATOM 0 H GLY A 7 7.541 24.582 12.088 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.049 24.168 10.474 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.850 23.217 9.620 1.00 0.00 H new ATOM 66 N ARG A 8 9.025 25.646 8.439 1.00 0.00 N ATOM 67 CA ARG A 8 9.035 26.689 7.421 1.00 0.00 C ATOM 68 C ARG A 8 8.635 26.125 6.061 1.00 0.00 C ATOM 69 O ARG A 8 7.533 26.375 5.573 1.00 0.00 O ATOM 70 CB ARG A 8 10.421 27.330 7.331 1.00 0.00 C ATOM 71 CG ARG A 8 10.621 28.487 8.297 1.00 0.00 C ATOM 72 CD ARG A 8 10.655 28.008 9.740 1.00 0.00 C ATOM 73 NE ARG A 8 11.980 27.533 10.128 1.00 0.00 N ATOM 74 CZ ARG A 8 12.278 27.101 11.349 1.00 0.00 C ATOM 75 NH1 ARG A 8 11.349 27.085 12.295 1.00 0.00 N ATOM 76 NH2 ARG A 8 13.507 26.685 11.625 1.00 0.00 N ATOM 0 H ARG A 8 9.939 25.237 8.633 1.00 0.00 H new ATOM 0 HA ARG A 8 8.308 27.449 7.708 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.177 26.570 7.527 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.582 27.685 6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.552 29.002 8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.816 29.211 8.172 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.354 28.822 10.399 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.929 27.206 9.873 1.00 0.00 H new ATOM 0 HE ARG A 8 12.717 27.533 9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.403 27.405 12.086 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.580 26.753 13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.224 26.697 10.900 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.735 26.354 12.562 1.00 0.00 H new ATOM 90 N SER A 9 9.539 25.363 5.453 1.00 0.00 N ATOM 91 CA SER A 9 9.282 24.766 4.147 1.00 0.00 C ATOM 92 C SER A 9 8.850 23.310 4.290 1.00 0.00 C ATOM 93 O SER A 9 8.672 22.811 5.401 1.00 0.00 O ATOM 94 CB SER A 9 10.531 24.855 3.268 1.00 0.00 C ATOM 95 OG SER A 9 11.079 26.162 3.290 1.00 0.00 O ATOM 0 H SER A 9 10.456 25.144 5.844 1.00 0.00 H new ATOM 0 HA SER A 9 8.472 25.322 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.276 24.139 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.279 24.580 2.244 1.00 0.00 H new ATOM 0 HG SER A 9 11.877 26.192 2.722 1.00 0.00 H new ATOM 101 N ILE A 10 8.682 22.636 3.158 1.00 0.00 N ATOM 102 CA ILE A 10 8.271 21.237 3.156 1.00 0.00 C ATOM 103 C ILE A 10 8.915 20.477 2.002 1.00 0.00 C ATOM 104 O ILE A 10 8.869 20.917 0.853 1.00 0.00 O ATOM 105 CB ILE A 10 6.741 21.100 3.057 1.00 0.00 C ATOM 106 CG1 ILE A 10 6.059 21.974 4.112 1.00 0.00 C ATOM 107 CG2 ILE A 10 6.328 19.645 3.219 1.00 0.00 C ATOM 108 CD1 ILE A 10 4.681 21.486 4.502 1.00 0.00 C ATOM 0 H ILE A 10 8.824 23.035 2.230 1.00 0.00 H new ATOM 0 HA ILE A 10 8.605 20.808 4.101 1.00 0.00 H new ATOM 0 HB ILE A 10 6.424 21.440 2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.687 22.012 5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.981 22.993 3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.243 19.564 3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.790 19.046 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.655 19.280 4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.258 22.153 5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.037 21.474 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.754 20.479 4.912 1.00 0.00 H new ATOM 120 N ARG A 11 9.513 19.332 2.314 1.00 0.00 N ATOM 121 CA ARG A 11 10.165 18.509 1.303 1.00 0.00 C ATOM 122 C ARG A 11 9.162 18.042 0.252 1.00 0.00 C ATOM 123 O ARG A 11 9.245 18.425 -0.915 1.00 0.00 O ATOM 124 CB ARG A 11 10.838 17.300 1.955 1.00 0.00 C ATOM 125 CG ARG A 11 12.024 17.662 2.833 1.00 0.00 C ATOM 126 CD ARG A 11 13.043 16.534 2.887 1.00 0.00 C ATOM 127 NE ARG A 11 12.719 15.554 3.920 1.00 0.00 N ATOM 128 CZ ARG A 11 13.555 14.601 4.317 1.00 0.00 C ATOM 129 NH1 ARG A 11 14.758 14.501 3.770 1.00 0.00 N ATOM 130 NH2 ARG A 11 13.187 13.746 5.262 1.00 0.00 N ATOM 0 H ARG A 11 9.559 18.953 3.260 1.00 0.00 H new ATOM 0 HA ARG A 11 10.924 19.117 0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.102 16.766 2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.170 16.615 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.499 18.565 2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.676 17.888 3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.087 16.038 1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.033 16.948 3.078 1.00 0.00 H new ATOM 0 HE ARG A 11 11.801 15.604 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.044 15.157 3.043 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.398 13.768 4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.262 13.820 5.684 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.829 13.015 5.566 1.00 0.00 H new ATOM 144 N LEU A 12 8.215 17.211 0.675 1.00 0.00 N ATOM 145 CA LEU A 12 7.195 16.691 -0.229 1.00 0.00 C ATOM 146 C LEU A 12 6.518 17.822 -0.996 1.00 0.00 C ATOM 147 O LEU A 12 6.531 18.981 -0.580 1.00 0.00 O ATOM 148 CB LEU A 12 6.151 15.893 0.554 1.00 0.00 C ATOM 149 CG LEU A 12 6.533 14.456 0.910 1.00 0.00 C ATOM 150 CD1 LEU A 12 7.179 13.764 -0.280 1.00 0.00 C ATOM 151 CD2 LEU A 12 7.466 14.435 2.112 1.00 0.00 C ATOM 0 H LEU A 12 8.133 16.883 1.637 1.00 0.00 H new ATOM 0 HA LEU A 12 7.683 16.032 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.931 16.429 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.230 15.869 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 12 5.624 13.913 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.444 12.742 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.479 13.747 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.078 14.306 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.728 13.404 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.372 14.995 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.968 14.891 2.967 1.00 0.00 H new ATOM 163 N PRO A 13 5.909 17.480 -2.141 1.00 0.00 N ATOM 164 CA PRO A 13 5.212 18.452 -2.988 1.00 0.00 C ATOM 165 C PRO A 13 3.928 18.967 -2.345 1.00 0.00 C ATOM 166 O PRO A 13 2.909 18.278 -2.338 1.00 0.00 O ATOM 167 CB PRO A 13 4.893 17.655 -4.255 1.00 0.00 C ATOM 168 CG PRO A 13 4.846 16.235 -3.807 1.00 0.00 C ATOM 169 CD PRO A 13 5.853 16.117 -2.696 1.00 0.00 C ATOM 0 HA PRO A 13 5.816 19.341 -3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.942 17.965 -4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.656 17.804 -5.019 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.848 15.969 -3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.089 15.559 -4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.541 15.390 -1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.825 15.794 -3.068 1.00 0.00 H new ATOM 177 N GLU A 14 3.987 20.181 -1.806 1.00 0.00 N ATOM 178 CA GLU A 14 2.828 20.786 -1.161 1.00 0.00 C ATOM 179 C GLU A 14 1.627 20.802 -2.102 1.00 0.00 C ATOM 180 O GLU A 14 0.478 20.759 -1.662 1.00 0.00 O ATOM 181 CB GLU A 14 3.155 22.211 -0.709 1.00 0.00 C ATOM 182 CG GLU A 14 3.532 23.140 -1.851 1.00 0.00 C ATOM 183 CD GLU A 14 4.199 24.414 -1.370 1.00 0.00 C ATOM 184 OE1 GLU A 14 3.715 24.999 -0.379 1.00 0.00 O ATOM 185 OE2 GLU A 14 5.205 24.826 -1.984 1.00 0.00 O ATOM 0 H GLU A 14 4.824 20.764 -1.803 1.00 0.00 H new ATOM 0 HA GLU A 14 2.575 20.184 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.293 22.624 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.976 22.177 0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.203 22.618 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.637 23.395 -2.418 1.00 0.00 H new ATOM 192 N THR A 15 1.902 20.864 -3.401 1.00 0.00 N ATOM 193 CA THR A 15 0.846 20.887 -4.406 1.00 0.00 C ATOM 194 C THR A 15 0.205 19.513 -4.561 1.00 0.00 C ATOM 195 O THR A 15 -0.652 19.311 -5.423 1.00 0.00 O ATOM 196 CB THR A 15 1.382 21.349 -5.774 1.00 0.00 C ATOM 197 OG1 THR A 15 2.529 20.573 -6.138 1.00 0.00 O ATOM 198 CG2 THR A 15 1.752 22.824 -5.740 1.00 0.00 C ATOM 0 H THR A 15 2.847 20.899 -3.782 1.00 0.00 H new ATOM 0 HA THR A 15 0.096 21.598 -4.060 1.00 0.00 H new ATOM 0 HB THR A 15 0.596 21.205 -6.515 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.863 20.872 -7.010 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.128 23.127 -6.717 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.870 23.415 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.523 22.988 -4.987 1.00 0.00 H new ATOM 206 N ILE A 16 0.624 18.571 -3.722 1.00 0.00 N ATOM 207 CA ILE A 16 0.088 17.217 -3.767 1.00 0.00 C ATOM 208 C ILE A 16 -0.177 16.684 -2.362 1.00 0.00 C ATOM 209 O ILE A 16 0.459 17.108 -1.397 1.00 0.00 O ATOM 210 CB ILE A 16 1.046 16.256 -4.495 1.00 0.00 C ATOM 211 CG1 ILE A 16 1.570 16.901 -5.780 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.345 14.941 -4.803 1.00 0.00 C ATOM 213 CD1 ILE A 16 2.645 16.090 -6.469 1.00 0.00 C ATOM 0 H ILE A 16 1.332 18.721 -3.004 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.851 17.268 -4.318 1.00 0.00 H new ATOM 0 HB ILE A 16 1.894 16.048 -3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.738 17.046 -6.469 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.966 17.889 -5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.035 14.273 -5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.016 14.477 -3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.519 15.130 -5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.969 16.608 -7.372 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.494 15.966 -5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.247 15.111 -6.735 1.00 0.00 H new ATOM 225 N ASP A 17 -1.117 15.752 -2.257 1.00 0.00 N ATOM 226 CA ASP A 17 -1.465 15.159 -0.971 1.00 0.00 C ATOM 227 C ASP A 17 -1.288 13.644 -1.006 1.00 0.00 C ATOM 228 O ASP A 17 -2.040 12.936 -1.677 1.00 0.00 O ATOM 229 CB ASP A 17 -2.906 15.508 -0.596 1.00 0.00 C ATOM 230 CG ASP A 17 -3.219 15.197 0.854 1.00 0.00 C ATOM 231 OD1 ASP A 17 -2.894 14.078 1.305 1.00 0.00 O ATOM 232 OD2 ASP A 17 -3.788 16.072 1.539 1.00 0.00 O ATOM 0 H ASP A 17 -1.652 15.391 -3.047 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.793 15.569 -0.217 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.080 16.568 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.590 14.954 -1.239 1.00 0.00 H new ATOM 237 N LEU A 18 -0.290 13.153 -0.280 1.00 0.00 N ATOM 238 CA LEU A 18 -0.013 11.721 -0.228 1.00 0.00 C ATOM 239 C LEU A 18 -1.309 10.917 -0.193 1.00 0.00 C ATOM 240 O LEU A 18 -1.495 9.985 -0.974 1.00 0.00 O ATOM 241 CB LEU A 18 0.840 11.390 0.998 1.00 0.00 C ATOM 242 CG LEU A 18 2.354 11.413 0.788 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.073 11.618 2.112 1.00 0.00 C ATOM 244 CD2 LEU A 18 2.819 10.127 0.119 1.00 0.00 C ATOM 0 H LEU A 18 0.341 13.725 0.281 1.00 0.00 H new ATOM 0 HA LEU A 18 0.537 11.449 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.592 12.097 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.558 10.400 1.355 1.00 0.00 H new ATOM 0 HG LEU A 18 2.599 12.249 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.150 11.632 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.763 12.566 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.823 10.804 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.899 10.161 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.562 9.276 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.329 10.023 -0.849 1.00 0.00 H new ATOM 256 N GLY A 19 -2.204 11.287 0.719 1.00 0.00 N ATOM 257 CA GLY A 19 -3.472 10.591 0.838 1.00 0.00 C ATOM 258 C GLY A 19 -4.144 10.378 -0.504 1.00 0.00 C ATOM 259 O GLY A 19 -4.567 9.267 -0.824 1.00 0.00 O ATOM 0 H GLY A 19 -2.073 12.056 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.310 9.625 1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.136 11.161 1.487 1.00 0.00 H new ATOM 263 N ALA A 20 -4.245 11.445 -1.290 1.00 0.00 N ATOM 264 CA ALA A 20 -4.871 11.369 -2.604 1.00 0.00 C ATOM 265 C ALA A 20 -4.086 10.450 -3.534 1.00 0.00 C ATOM 266 O ALA A 20 -4.667 9.725 -4.343 1.00 0.00 O ATOM 267 CB ALA A 20 -4.992 12.759 -3.211 1.00 0.00 C ATOM 0 H ALA A 20 -3.901 12.372 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.870 10.950 -2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.461 12.688 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.602 13.388 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.000 13.199 -3.314 1.00 0.00 H new ATOM 273 N LEU A 21 -2.763 10.485 -3.414 1.00 0.00 N ATOM 274 CA LEU A 21 -1.898 9.655 -4.244 1.00 0.00 C ATOM 275 C LEU A 21 -2.139 8.173 -3.972 1.00 0.00 C ATOM 276 O LEU A 21 -2.370 7.392 -4.895 1.00 0.00 O ATOM 277 CB LEU A 21 -0.429 10.000 -3.989 1.00 0.00 C ATOM 278 CG LEU A 21 0.583 9.381 -4.953 1.00 0.00 C ATOM 279 CD1 LEU A 21 -0.013 8.164 -5.644 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.040 10.408 -5.979 1.00 0.00 C ATOM 0 H LEU A 21 -2.267 11.079 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.136 9.857 -5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.320 11.084 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.174 9.688 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 21 1.452 9.059 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.722 7.737 -6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.290 7.420 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.899 8.462 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.760 9.950 -6.657 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.180 10.761 -6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.508 11.250 -5.468 1.00 0.00 H new ATOM 292 N TYR A 22 -2.085 7.795 -2.700 1.00 0.00 N ATOM 293 CA TYR A 22 -2.298 6.407 -2.306 1.00 0.00 C ATOM 294 C TYR A 22 -3.585 5.859 -2.914 1.00 0.00 C ATOM 295 O TYR A 22 -3.670 4.679 -3.258 1.00 0.00 O ATOM 296 CB TYR A 22 -2.351 6.291 -0.781 1.00 0.00 C ATOM 297 CG TYR A 22 -3.014 5.022 -0.294 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.350 3.803 -0.350 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.304 5.043 0.222 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.952 2.641 0.094 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.913 3.887 0.669 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.234 2.688 0.603 1.00 0.00 C ATOM 303 OH TYR A 22 -4.838 1.534 1.046 1.00 0.00 O ATOM 0 H TYR A 22 -1.896 8.430 -1.924 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.461 5.817 -2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.336 6.336 -0.386 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.888 7.150 -0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.346 3.763 -0.747 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.840 5.979 0.274 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.422 1.701 0.043 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.916 3.921 1.068 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.307 1.145 1.772 1.00 0.00 H new ATOM 313 N LEU A 23 -4.585 6.724 -3.044 1.00 0.00 N ATOM 314 CA LEU A 23 -5.869 6.328 -3.611 1.00 0.00 C ATOM 315 C LEU A 23 -5.721 5.945 -5.080 1.00 0.00 C ATOM 316 O LEU A 23 -6.331 4.983 -5.546 1.00 0.00 O ATOM 317 CB LEU A 23 -6.884 7.464 -3.468 1.00 0.00 C ATOM 318 CG LEU A 23 -7.358 7.766 -2.046 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.937 9.169 -1.963 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.385 6.736 -1.597 1.00 0.00 C ATOM 0 H LEU A 23 -4.531 7.704 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.228 5.457 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.445 8.371 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.756 7.224 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.499 7.710 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.269 9.366 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.173 9.895 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.784 9.254 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.712 6.966 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.243 6.761 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.937 5.743 -1.617 1.00 0.00 H new ATOM 332 N SER A 24 -4.905 6.704 -5.805 1.00 0.00 N ATOM 333 CA SER A 24 -4.677 6.446 -7.221 1.00 0.00 C ATOM 334 C SER A 24 -4.012 5.088 -7.426 1.00 0.00 C ATOM 335 O SER A 24 -4.162 4.463 -8.475 1.00 0.00 O ATOM 336 CB SER A 24 -3.809 7.549 -7.830 1.00 0.00 C ATOM 337 OG SER A 24 -4.569 8.718 -8.078 1.00 0.00 O ATOM 0 H SER A 24 -4.391 7.503 -5.434 1.00 0.00 H new ATOM 0 HA SER A 24 -5.644 6.437 -7.723 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.986 7.783 -7.154 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.366 7.195 -8.761 1.00 0.00 H new ATOM 0 HG SER A 24 -3.991 9.408 -8.465 1.00 0.00 H new ATOM 343 N MET A 25 -3.277 4.638 -6.414 1.00 0.00 N ATOM 344 CA MET A 25 -2.589 3.354 -6.482 1.00 0.00 C ATOM 345 C MET A 25 -3.542 2.209 -6.155 1.00 0.00 C ATOM 346 O MET A 25 -3.325 1.070 -6.568 1.00 0.00 O ATOM 347 CB MET A 25 -1.402 3.336 -5.517 1.00 0.00 C ATOM 348 CG MET A 25 -0.567 4.605 -5.557 1.00 0.00 C ATOM 349 SD MET A 25 0.862 4.532 -4.458 1.00 0.00 S ATOM 350 CE MET A 25 2.176 5.002 -5.581 1.00 0.00 C ATOM 0 H MET A 25 -3.143 5.143 -5.538 1.00 0.00 H new ATOM 0 HA MET A 25 -2.223 3.219 -7.500 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.771 3.186 -4.503 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.765 2.484 -5.754 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.227 4.779 -6.578 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.191 5.455 -5.279 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.063 4.403 -5.374 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.855 4.832 -6.609 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.411 6.058 -5.445 1.00 0.00 H new ATOM 360 N LYS A 26 -4.599 2.519 -5.411 1.00 0.00 N ATOM 361 CA LYS A 26 -5.586 1.516 -5.029 1.00 0.00 C ATOM 362 C LYS A 26 -6.400 1.067 -6.238 1.00 0.00 C ATOM 363 O LYS A 26 -6.920 -0.049 -6.268 1.00 0.00 O ATOM 364 CB LYS A 26 -6.519 2.074 -3.952 1.00 0.00 C ATOM 365 CG LYS A 26 -5.864 2.203 -2.587 1.00 0.00 C ATOM 366 CD LYS A 26 -6.880 2.060 -1.466 1.00 0.00 C ATOM 367 CE LYS A 26 -7.543 3.390 -1.142 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.380 3.308 0.087 1.00 0.00 N ATOM 0 H LYS A 26 -4.794 3.457 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.055 0.652 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.879 3.053 -4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.391 1.426 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.092 1.441 -2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.369 3.171 -2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.640 1.334 -1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.388 1.671 -0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.778 4.155 -1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.162 3.701 -1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.814 4.234 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.126 2.597 -0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.785 3.036 0.895 1.00 0.00 H new ATOM 382 N ASP A 27 -6.506 1.941 -7.233 1.00 0.00 N ATOM 383 CA ASP A 27 -7.255 1.632 -8.445 1.00 0.00 C ATOM 384 C ASP A 27 -6.767 0.328 -9.068 1.00 0.00 C ATOM 385 O ASP A 27 -5.604 -0.048 -8.919 1.00 0.00 O ATOM 386 CB ASP A 27 -7.124 2.774 -9.455 1.00 0.00 C ATOM 387 CG ASP A 27 -8.234 2.763 -10.488 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.308 1.791 -11.269 1.00 0.00 O ATOM 389 OD2 ASP A 27 -9.029 3.725 -10.515 1.00 0.00 O ATOM 0 H ASP A 27 -6.083 2.869 -7.224 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.304 1.514 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.134 3.727 -8.925 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.161 2.700 -9.960 1.00 0.00 H new ATOM 394 N THR A 28 -7.665 -0.361 -9.766 1.00 0.00 N ATOM 395 CA THR A 28 -7.328 -1.625 -10.409 1.00 0.00 C ATOM 396 C THR A 28 -6.677 -1.393 -11.768 1.00 0.00 C ATOM 397 O THR A 28 -5.782 -2.134 -12.171 1.00 0.00 O ATOM 398 CB THR A 28 -8.574 -2.511 -10.593 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.186 -3.886 -10.696 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.349 -2.104 -11.837 1.00 0.00 C ATOM 0 H THR A 28 -8.632 -0.064 -9.900 1.00 0.00 H new ATOM 0 HA THR A 28 -6.622 -2.136 -9.754 1.00 0.00 H new ATOM 0 HB THR A 28 -9.218 -2.379 -9.724 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.984 -4.443 -10.811 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.225 -2.744 -11.946 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.668 -1.066 -11.744 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.711 -2.210 -12.714 1.00 0.00 H new ATOM 408 N GLU A 29 -7.133 -0.360 -12.469 1.00 0.00 N ATOM 409 CA GLU A 29 -6.594 -0.032 -13.784 1.00 0.00 C ATOM 410 C GLU A 29 -5.740 1.231 -13.722 1.00 0.00 C ATOM 411 O GLU A 29 -4.871 1.449 -14.567 1.00 0.00 O ATOM 412 CB GLU A 29 -7.729 0.155 -14.793 1.00 0.00 C ATOM 413 CG GLU A 29 -8.951 0.848 -14.213 1.00 0.00 C ATOM 414 CD GLU A 29 -9.775 1.558 -15.269 1.00 0.00 C ATOM 415 OE1 GLU A 29 -9.565 1.282 -16.469 1.00 0.00 O ATOM 416 OE2 GLU A 29 -10.628 2.390 -14.896 1.00 0.00 O ATOM 0 H GLU A 29 -7.874 0.264 -12.149 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.964 -0.860 -14.107 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.360 0.735 -15.639 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.024 -0.820 -15.180 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.574 0.112 -13.705 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.632 1.569 -13.461 1.00 0.00 H new ATOM 423 N LYS A 30 -5.994 2.061 -12.716 1.00 0.00 N ATOM 424 CA LYS A 30 -5.249 3.302 -12.541 1.00 0.00 C ATOM 425 C LYS A 30 -4.339 3.224 -11.320 1.00 0.00 C ATOM 426 O LYS A 30 -3.787 4.231 -10.879 1.00 0.00 O ATOM 427 CB LYS A 30 -6.212 4.483 -12.398 1.00 0.00 C ATOM 428 CG LYS A 30 -7.319 4.495 -13.438 1.00 0.00 C ATOM 429 CD LYS A 30 -6.856 5.130 -14.738 1.00 0.00 C ATOM 430 CE LYS A 30 -8.027 5.672 -15.543 1.00 0.00 C ATOM 431 NZ LYS A 30 -8.668 4.614 -16.372 1.00 0.00 N ATOM 0 H LYS A 30 -6.711 1.896 -12.009 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.629 3.451 -13.425 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.659 4.458 -11.404 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.647 5.412 -12.470 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.651 3.475 -13.629 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.178 5.043 -13.050 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.158 5.938 -14.521 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.315 4.393 -15.332 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.766 6.100 -14.866 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.681 6.479 -16.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.057 5.039 -17.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.960 3.896 -16.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.436 4.167 -15.831 1.00 0.00 H new ATOM 445 N GLY A 31 -4.187 2.019 -10.777 1.00 0.00 N ATOM 446 CA GLY A 31 -3.341 1.832 -9.613 1.00 0.00 C ATOM 447 C GLY A 31 -2.151 0.938 -9.898 1.00 0.00 C ATOM 448 O GLY A 31 -1.948 0.507 -11.033 1.00 0.00 O ATOM 0 H GLY A 31 -4.635 1.170 -11.123 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.987 2.803 -9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.931 1.400 -8.805 1.00 0.00 H new ATOM 452 N ILE A 32 -1.361 0.660 -8.866 1.00 0.00 N ATOM 453 CA ILE A 32 -0.185 -0.188 -9.012 1.00 0.00 C ATOM 454 C ILE A 32 -0.570 -1.663 -9.043 1.00 0.00 C ATOM 455 O ILE A 32 -1.296 -2.145 -8.174 1.00 0.00 O ATOM 456 CB ILE A 32 0.821 0.044 -7.869 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.304 1.495 -7.872 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.998 -0.912 -7.997 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.047 1.888 -6.614 1.00 0.00 C ATOM 0 H ILE A 32 -1.514 1.010 -7.920 1.00 0.00 H new ATOM 0 HA ILE A 32 0.283 0.082 -9.959 1.00 0.00 H new ATOM 0 HB ILE A 32 0.321 -0.151 -6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.955 1.651 -8.732 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.446 2.155 -7.998 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.700 -0.736 -7.182 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.639 -1.940 -7.950 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.500 -0.746 -8.950 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.360 2.930 -6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.392 1.765 -5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.925 1.253 -6.497 1.00 0.00 H new ATOM 471 N LYS A 33 -0.079 -2.376 -10.051 1.00 0.00 N ATOM 472 CA LYS A 33 -0.368 -3.798 -10.195 1.00 0.00 C ATOM 473 C LYS A 33 0.323 -4.608 -9.103 1.00 0.00 C ATOM 474 O LYS A 33 1.388 -4.228 -8.617 1.00 0.00 O ATOM 475 CB LYS A 33 0.079 -4.293 -11.573 1.00 0.00 C ATOM 476 CG LYS A 33 1.552 -4.056 -11.855 1.00 0.00 C ATOM 477 CD LYS A 33 2.405 -5.220 -11.380 1.00 0.00 C ATOM 478 CE LYS A 33 3.838 -5.101 -11.877 1.00 0.00 C ATOM 479 NZ LYS A 33 3.944 -5.375 -13.337 1.00 0.00 N ATOM 0 H LYS A 33 0.521 -1.992 -10.781 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.445 -3.936 -10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.131 -5.360 -11.652 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.514 -3.794 -12.339 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.699 -3.909 -12.925 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.876 -3.141 -11.360 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.399 -5.256 -10.291 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.973 -6.157 -11.733 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.213 -4.099 -11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.471 -5.799 -11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.945 -5.485 -13.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.429 -6.249 -13.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.533 -4.582 -13.870 1.00 0.00 H new ATOM 493 N GLU A 34 -0.288 -5.726 -8.725 1.00 0.00 N ATOM 494 CA GLU A 34 0.270 -6.589 -7.690 1.00 0.00 C ATOM 495 C GLU A 34 0.426 -8.018 -8.200 1.00 0.00 C ATOM 496 O GLU A 34 -0.437 -8.533 -8.914 1.00 0.00 O ATOM 497 CB GLU A 34 -0.620 -6.573 -6.446 1.00 0.00 C ATOM 498 CG GLU A 34 -1.186 -5.201 -6.120 1.00 0.00 C ATOM 499 CD GLU A 34 -2.524 -4.948 -6.786 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.144 -5.924 -7.260 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.952 -3.776 -6.834 1.00 0.00 O ATOM 0 H GLU A 34 -1.169 -6.056 -9.120 1.00 0.00 H new ATOM 0 HA GLU A 34 1.256 -6.206 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.444 -7.272 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.044 -6.931 -5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.298 -5.106 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.477 -4.435 -6.435 1.00 0.00 H new ATOM 508 N LEU A 35 1.531 -8.655 -7.830 1.00 0.00 N ATOM 509 CA LEU A 35 1.801 -10.026 -8.250 1.00 0.00 C ATOM 510 C LEU A 35 1.864 -10.962 -7.047 1.00 0.00 C ATOM 511 O LEU A 35 1.701 -10.533 -5.905 1.00 0.00 O ATOM 512 CB LEU A 35 3.115 -10.092 -9.030 1.00 0.00 C ATOM 513 CG LEU A 35 3.099 -9.467 -10.426 1.00 0.00 C ATOM 514 CD1 LEU A 35 1.725 -9.616 -11.062 1.00 0.00 C ATOM 515 CD2 LEU A 35 3.501 -8.001 -10.359 1.00 0.00 C ATOM 0 H LEU A 35 2.255 -8.245 -7.240 1.00 0.00 H new ATOM 0 HA LEU A 35 0.985 -10.349 -8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.889 -9.599 -8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.406 -11.138 -9.125 1.00 0.00 H new ATOM 0 HG LEU A 35 3.824 -9.994 -11.047 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.733 -9.166 -12.055 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.475 -10.674 -11.145 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.981 -9.116 -10.442 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.484 -7.573 -11.361 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.801 -7.461 -9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.506 -7.918 -9.946 1.00 0.00 H new ATOM 527 N ASN A 36 2.103 -12.242 -7.311 1.00 0.00 N ATOM 528 CA ASN A 36 2.190 -13.238 -6.250 1.00 0.00 C ATOM 529 C ASN A 36 3.485 -14.037 -6.357 1.00 0.00 C ATOM 530 O ASN A 36 3.494 -15.164 -6.853 1.00 0.00 O ATOM 531 CB ASN A 36 0.988 -14.184 -6.311 1.00 0.00 C ATOM 532 CG ASN A 36 -0.321 -13.475 -6.024 1.00 0.00 C ATOM 533 OD1 ASN A 36 -0.338 -12.289 -5.694 1.00 0.00 O ATOM 534 ND2 ASN A 36 -1.426 -14.200 -6.149 1.00 0.00 N ATOM 0 H ASN A 36 2.240 -12.614 -8.251 1.00 0.00 H new ATOM 0 HA ASN A 36 2.185 -12.715 -5.294 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.940 -14.643 -7.298 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.127 -14.990 -5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.337 -13.777 -5.969 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.364 -15.180 -6.425 1.00 0.00 H new ATOM 541 N LEU A 37 4.578 -13.445 -5.887 1.00 0.00 N ATOM 542 CA LEU A 37 5.881 -14.100 -5.929 1.00 0.00 C ATOM 543 C LEU A 37 6.179 -14.805 -4.609 1.00 0.00 C ATOM 544 O LEU A 37 5.477 -14.608 -3.618 1.00 0.00 O ATOM 545 CB LEU A 37 6.978 -13.079 -6.234 1.00 0.00 C ATOM 546 CG LEU A 37 6.637 -12.020 -7.283 1.00 0.00 C ATOM 547 CD1 LEU A 37 7.386 -10.728 -7.000 1.00 0.00 C ATOM 548 CD2 LEU A 37 6.959 -12.531 -8.680 1.00 0.00 C ATOM 0 H LEU A 37 4.588 -12.513 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 37 5.859 -14.847 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.242 -12.571 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.866 -13.618 -6.566 1.00 0.00 H new ATOM 0 HG LEU A 37 5.568 -11.814 -7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.131 -9.986 -7.757 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.106 -10.353 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.459 -10.917 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.710 -11.765 -9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.022 -12.765 -8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.376 -13.430 -8.882 1.00 0.00 H new ATOM 560 N GLU A 38 7.225 -15.625 -4.605 1.00 0.00 N ATOM 561 CA GLU A 38 7.616 -16.357 -3.406 1.00 0.00 C ATOM 562 C GLU A 38 9.071 -16.072 -3.045 1.00 0.00 C ATOM 563 O GLU A 38 9.972 -16.247 -3.865 1.00 0.00 O ATOM 564 CB GLU A 38 7.414 -17.860 -3.611 1.00 0.00 C ATOM 565 CG GLU A 38 7.779 -18.694 -2.394 1.00 0.00 C ATOM 566 CD GLU A 38 9.257 -19.029 -2.339 1.00 0.00 C ATOM 567 OE1 GLU A 38 9.712 -19.841 -3.172 1.00 0.00 O ATOM 568 OE2 GLU A 38 9.958 -18.480 -1.463 1.00 0.00 O ATOM 0 H GLU A 38 7.816 -15.799 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 38 6.984 -16.022 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.372 -18.046 -3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.016 -18.187 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.499 -18.153 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.201 -19.618 -2.405 1.00 0.00 H new ATOM 575 N LYS A 39 9.293 -15.631 -1.811 1.00 0.00 N ATOM 576 CA LYS A 39 10.637 -15.323 -1.338 1.00 0.00 C ATOM 577 C LYS A 39 10.802 -15.712 0.127 1.00 0.00 C ATOM 578 O LYS A 39 9.948 -15.405 0.960 1.00 0.00 O ATOM 579 CB LYS A 39 10.933 -13.832 -1.518 1.00 0.00 C ATOM 580 CG LYS A 39 12.403 -13.526 -1.744 1.00 0.00 C ATOM 581 CD LYS A 39 12.757 -13.548 -3.222 1.00 0.00 C ATOM 582 CE LYS A 39 13.050 -14.961 -3.704 1.00 0.00 C ATOM 583 NZ LYS A 39 13.733 -14.965 -5.027 1.00 0.00 N ATOM 0 H LYS A 39 8.558 -15.479 -1.120 1.00 0.00 H new ATOM 0 HA LYS A 39 11.345 -15.902 -1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.358 -13.456 -2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.590 -13.293 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.640 -12.547 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.013 -14.256 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.934 -13.128 -3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.626 -12.915 -3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.674 -15.472 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.118 -15.521 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.915 -15.946 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.127 -14.499 -5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.635 -14.452 -4.954 1.00 0.00 H new ATOM 597 N ASP A 40 11.904 -16.386 0.435 1.00 0.00 N ATOM 598 CA ASP A 40 12.181 -16.815 1.801 1.00 0.00 C ATOM 599 C ASP A 40 11.128 -17.808 2.284 1.00 0.00 C ATOM 600 O ASP A 40 10.618 -17.696 3.399 1.00 0.00 O ATOM 601 CB ASP A 40 12.228 -15.607 2.738 1.00 0.00 C ATOM 602 CG ASP A 40 13.613 -14.996 2.827 1.00 0.00 C ATOM 603 OD1 ASP A 40 14.519 -15.657 3.376 1.00 0.00 O ATOM 604 OD2 ASP A 40 13.791 -13.858 2.346 1.00 0.00 O ATOM 0 H ASP A 40 12.620 -16.647 -0.243 1.00 0.00 H new ATOM 0 HA ASP A 40 13.152 -17.310 1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.523 -14.853 2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.903 -15.910 3.733 1.00 0.00 H new ATOM 609 N LYS A 41 10.806 -18.779 1.437 1.00 0.00 N ATOM 610 CA LYS A 41 9.813 -19.792 1.775 1.00 0.00 C ATOM 611 C LYS A 41 8.495 -19.146 2.190 1.00 0.00 C ATOM 612 O LYS A 41 7.775 -19.671 3.040 1.00 0.00 O ATOM 613 CB LYS A 41 10.333 -20.687 2.903 1.00 0.00 C ATOM 614 CG LYS A 41 11.561 -21.495 2.521 1.00 0.00 C ATOM 615 CD LYS A 41 11.902 -22.526 3.584 1.00 0.00 C ATOM 616 CE LYS A 41 13.133 -23.334 3.202 1.00 0.00 C ATOM 617 NZ LYS A 41 13.578 -24.223 4.311 1.00 0.00 N ATOM 0 H LYS A 41 11.219 -18.886 0.510 1.00 0.00 H new ATOM 0 HA LYS A 41 9.634 -20.401 0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.571 -20.067 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.540 -21.369 3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.386 -21.996 1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.409 -20.825 2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.076 -22.025 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.055 -23.197 3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.913 -23.936 2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.943 -22.656 2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.419 -24.757 4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.812 -23.647 5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.814 -24.887 4.552 1.00 0.00 H new ATOM 631 N LYS A 42 8.185 -18.005 1.585 1.00 0.00 N ATOM 632 CA LYS A 42 6.952 -17.288 1.889 1.00 0.00 C ATOM 633 C LYS A 42 6.401 -16.601 0.644 1.00 0.00 C ATOM 634 O LYS A 42 7.101 -15.831 -0.013 1.00 0.00 O ATOM 635 CB LYS A 42 7.198 -16.252 2.989 1.00 0.00 C ATOM 636 CG LYS A 42 7.657 -16.859 4.303 1.00 0.00 C ATOM 637 CD LYS A 42 8.160 -15.794 5.263 1.00 0.00 C ATOM 638 CE LYS A 42 9.644 -15.525 5.070 1.00 0.00 C ATOM 639 NZ LYS A 42 10.485 -16.440 5.890 1.00 0.00 N ATOM 0 H LYS A 42 8.771 -17.556 0.881 1.00 0.00 H new ATOM 0 HA LYS A 42 6.217 -18.013 2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.949 -15.540 2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.280 -15.690 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.831 -17.403 4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.449 -17.583 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.599 -14.872 5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.977 -16.112 6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.900 -15.642 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.864 -14.492 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.315 -15.923 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.929 -16.797 6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.800 -17.240 5.305 1.00 0.00 H new ATOM 653 N ILE A 43 5.142 -16.884 0.326 1.00 0.00 N ATOM 654 CA ILE A 43 4.497 -16.291 -0.839 1.00 0.00 C ATOM 655 C ILE A 43 3.798 -14.986 -0.476 1.00 0.00 C ATOM 656 O ILE A 43 2.815 -14.981 0.265 1.00 0.00 O ATOM 657 CB ILE A 43 3.470 -17.254 -1.464 1.00 0.00 C ATOM 658 CG1 ILE A 43 4.092 -18.637 -1.668 1.00 0.00 C ATOM 659 CG2 ILE A 43 2.958 -16.697 -2.785 1.00 0.00 C ATOM 660 CD1 ILE A 43 3.407 -19.455 -2.740 1.00 0.00 C ATOM 0 H ILE A 43 4.549 -17.520 0.859 1.00 0.00 H new ATOM 0 HA ILE A 43 5.283 -16.089 -1.566 1.00 0.00 H new ATOM 0 HB ILE A 43 2.626 -17.354 -0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.144 -18.519 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.057 -19.185 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.233 -17.388 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.481 -15.732 -2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.793 -16.571 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.900 -20.423 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.361 -19.605 -2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.465 -18.928 -3.692 1.00 0.00 H new ATOM 672 N PHE A 44 4.311 -13.879 -1.003 1.00 0.00 N ATOM 673 CA PHE A 44 3.736 -12.566 -0.735 1.00 0.00 C ATOM 674 C PHE A 44 2.701 -12.200 -1.795 1.00 0.00 C ATOM 675 O PHE A 44 3.048 -11.853 -2.923 1.00 0.00 O ATOM 676 CB PHE A 44 4.836 -11.504 -0.691 1.00 0.00 C ATOM 677 CG PHE A 44 5.932 -11.816 0.287 1.00 0.00 C ATOM 678 CD1 PHE A 44 5.679 -12.590 1.408 1.00 0.00 C ATOM 679 CD2 PHE A 44 7.216 -11.335 0.086 1.00 0.00 C ATOM 680 CE1 PHE A 44 6.686 -12.880 2.310 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.227 -11.621 0.985 1.00 0.00 C ATOM 682 CZ PHE A 44 7.961 -12.394 2.098 1.00 0.00 C ATOM 0 H PHE A 44 5.124 -13.865 -1.618 1.00 0.00 H new ATOM 0 HA PHE A 44 3.239 -12.604 0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.268 -11.398 -1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.392 -10.543 -0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.683 -12.971 1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.429 -10.730 -0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 44 6.476 -13.486 3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 44 9.224 -11.240 0.817 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.749 -12.618 2.802 1.00 0.00 H new ATOM 692 N ASN A 45 1.428 -12.279 -1.422 1.00 0.00 N ATOM 693 CA ASN A 45 0.341 -11.957 -2.340 1.00 0.00 C ATOM 694 C ASN A 45 0.086 -10.453 -2.373 1.00 0.00 C ATOM 695 O ASN A 45 0.636 -9.701 -1.569 1.00 0.00 O ATOM 696 CB ASN A 45 -0.935 -12.693 -1.930 1.00 0.00 C ATOM 697 CG ASN A 45 -1.036 -14.070 -2.558 1.00 0.00 C ATOM 698 OD1 ASN A 45 -1.679 -14.247 -3.593 1.00 0.00 O ATOM 699 ND2 ASN A 45 -0.398 -15.053 -1.934 1.00 0.00 N ATOM 0 H ASN A 45 1.124 -12.563 -0.491 1.00 0.00 H new ATOM 0 HA ASN A 45 0.634 -12.280 -3.339 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.963 -12.789 -0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.802 -12.100 -2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.429 -16.001 -2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.123 -14.861 -1.078 1.00 0.00 H new ATOM 706 N HIS A 46 -0.754 -10.022 -3.309 1.00 0.00 N ATOM 707 CA HIS A 46 -1.084 -8.608 -3.447 1.00 0.00 C ATOM 708 C HIS A 46 0.134 -7.735 -3.160 1.00 0.00 C ATOM 709 O HIS A 46 0.020 -6.680 -2.535 1.00 0.00 O ATOM 710 CB HIS A 46 -2.227 -8.235 -2.503 1.00 0.00 C ATOM 711 CG HIS A 46 -3.530 -8.884 -2.854 1.00 0.00 C ATOM 712 ND1 HIS A 46 -4.134 -8.742 -4.086 1.00 0.00 N ATOM 713 CD2 HIS A 46 -4.345 -9.683 -2.127 1.00 0.00 C ATOM 714 CE1 HIS A 46 -5.264 -9.425 -4.101 1.00 0.00 C ATOM 715 NE2 HIS A 46 -5.416 -10.006 -2.924 1.00 0.00 N ATOM 0 H HIS A 46 -1.218 -10.631 -3.983 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.400 -8.433 -4.475 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.953 -8.515 -1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.356 -7.153 -2.512 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.183 -10.007 -1.109 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.948 -9.497 -4.934 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.201 -10.598 -2.652 1.00 0.00 H new ATOM 724 N CYS A 47 1.297 -8.182 -3.620 1.00 0.00 N ATOM 725 CA CYS A 47 2.537 -7.442 -3.411 1.00 0.00 C ATOM 726 C CYS A 47 3.163 -7.043 -4.743 1.00 0.00 C ATOM 727 O CYS A 47 3.084 -7.782 -5.725 1.00 0.00 O ATOM 728 CB CYS A 47 3.526 -8.282 -2.600 1.00 0.00 C ATOM 729 SG CYS A 47 3.392 -8.057 -0.811 1.00 0.00 S ATOM 0 H CYS A 47 1.408 -9.053 -4.140 1.00 0.00 H new ATOM 0 HA CYS A 47 2.301 -6.535 -2.855 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.371 -9.335 -2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.540 -8.032 -2.912 1.00 0.00 H new ATOM 0 HG CYS A 47 2.934 -9.147 -0.270 1.00 0.00 H new ATOM 735 N PHE A 48 3.783 -5.868 -4.771 1.00 0.00 N ATOM 736 CA PHE A 48 4.420 -5.368 -5.984 1.00 0.00 C ATOM 737 C PHE A 48 5.919 -5.176 -5.771 1.00 0.00 C ATOM 738 O PHE A 48 6.436 -5.396 -4.676 1.00 0.00 O ATOM 739 CB PHE A 48 3.781 -4.046 -6.413 1.00 0.00 C ATOM 740 CG PHE A 48 3.268 -3.227 -5.264 1.00 0.00 C ATOM 741 CD1 PHE A 48 2.095 -3.578 -4.615 1.00 0.00 C ATOM 742 CD2 PHE A 48 3.958 -2.106 -4.832 1.00 0.00 C ATOM 743 CE1 PHE A 48 1.619 -2.827 -3.557 1.00 0.00 C ATOM 744 CE2 PHE A 48 3.488 -1.351 -3.774 1.00 0.00 C ATOM 745 CZ PHE A 48 2.316 -1.711 -3.137 1.00 0.00 C ATOM 0 H PHE A 48 3.858 -5.244 -3.968 1.00 0.00 H new ATOM 0 HA PHE A 48 4.274 -6.107 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.514 -3.460 -6.967 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.958 -4.255 -7.096 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.546 -4.449 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.874 -1.819 -5.328 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.704 -3.112 -3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.036 -0.480 -3.446 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.945 -1.121 -2.312 1.00 0.00 H new ATOM 755 N THR A 49 6.613 -4.765 -6.828 1.00 0.00 N ATOM 756 CA THR A 49 8.052 -4.546 -6.760 1.00 0.00 C ATOM 757 C THR A 49 8.372 -3.078 -6.502 1.00 0.00 C ATOM 758 O THR A 49 7.583 -2.193 -6.830 1.00 0.00 O ATOM 759 CB THR A 49 8.751 -4.991 -8.058 1.00 0.00 C ATOM 760 OG1 THR A 49 8.341 -4.157 -9.147 1.00 0.00 O ATOM 761 CG2 THR A 49 8.427 -6.444 -8.376 1.00 0.00 C ATOM 0 H THR A 49 6.201 -4.577 -7.742 1.00 0.00 H new ATOM 0 HA THR A 49 8.424 -5.148 -5.931 1.00 0.00 H new ATOM 0 HB THR A 49 9.827 -4.897 -7.915 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.792 -4.446 -9.968 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.932 -6.736 -9.297 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.767 -7.080 -7.559 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.350 -6.558 -8.501 1.00 0.00 H new ATOM 769 N GLY A 50 9.537 -2.825 -5.912 1.00 0.00 N ATOM 770 CA GLY A 50 9.941 -1.462 -5.621 1.00 0.00 C ATOM 771 C GLY A 50 9.885 -0.567 -6.843 1.00 0.00 C ATOM 772 O GLY A 50 9.383 0.554 -6.777 1.00 0.00 O ATOM 0 H GLY A 50 10.208 -3.540 -5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.294 -1.053 -4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.955 -1.464 -5.222 1.00 0.00 H new ATOM 776 N ASN A 51 10.404 -1.063 -7.961 1.00 0.00 N ATOM 777 CA ASN A 51 10.413 -0.299 -9.204 1.00 0.00 C ATOM 778 C ASN A 51 9.008 0.174 -9.562 1.00 0.00 C ATOM 779 O ASN A 51 8.779 1.364 -9.782 1.00 0.00 O ATOM 780 CB ASN A 51 10.985 -1.146 -10.343 1.00 0.00 C ATOM 781 CG ASN A 51 11.100 -0.368 -11.640 1.00 0.00 C ATOM 782 OD1 ASN A 51 9.959 -0.041 -12.236 1.00 0.00 O flip ATOM 783 ND2 ASN A 51 12.201 -0.064 -12.099 1.00 0.00 N flip ATOM 0 H ASN A 51 10.824 -1.990 -8.032 1.00 0.00 H new ATOM 0 HA ASN A 51 11.045 0.577 -9.059 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.969 -1.518 -10.057 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.348 -2.017 -10.500 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.052 -0.337 -11.607 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.263 0.460 -12.972 1.00 0.00 H new ATOM 790 N CYS A 52 8.070 -0.766 -9.618 1.00 0.00 N ATOM 791 CA CYS A 52 6.686 -0.446 -9.950 1.00 0.00 C ATOM 792 C CYS A 52 6.276 0.891 -9.341 1.00 0.00 C ATOM 793 O CYS A 52 5.749 1.764 -10.031 1.00 0.00 O ATOM 794 CB CYS A 52 5.753 -1.552 -9.456 1.00 0.00 C ATOM 795 SG CYS A 52 4.256 -1.754 -10.451 1.00 0.00 S ATOM 0 H CYS A 52 8.243 -1.755 -9.438 1.00 0.00 H new ATOM 0 HA CYS A 52 6.606 -0.370 -11.034 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.299 -2.495 -9.445 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.466 -1.338 -8.427 1.00 0.00 H new ATOM 0 HG CYS A 52 3.532 -2.714 -9.956 1.00 0.00 H new ATOM 801 N VAL A 53 6.521 1.045 -8.044 1.00 0.00 N ATOM 802 CA VAL A 53 6.177 2.275 -7.341 1.00 0.00 C ATOM 803 C VAL A 53 6.781 3.491 -8.034 1.00 0.00 C ATOM 804 O VAL A 53 6.062 4.391 -8.470 1.00 0.00 O ATOM 805 CB VAL A 53 6.658 2.240 -5.879 1.00 0.00 C ATOM 806 CG1 VAL A 53 6.310 3.540 -5.170 1.00 0.00 C ATOM 807 CG2 VAL A 53 6.058 1.048 -5.149 1.00 0.00 C ATOM 0 H VAL A 53 6.957 0.333 -7.458 1.00 0.00 H new ATOM 0 HA VAL A 53 5.090 2.354 -7.356 1.00 0.00 H new ATOM 0 HB VAL A 53 7.743 2.131 -5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.658 3.496 -4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.793 4.373 -5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.230 3.683 -5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.409 1.039 -4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.971 1.123 -5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.364 0.126 -5.644 1.00 0.00 H new ATOM 817 N ILE A 54 8.106 3.511 -8.134 1.00 0.00 N ATOM 818 CA ILE A 54 8.807 4.616 -8.776 1.00 0.00 C ATOM 819 C ILE A 54 8.199 4.936 -10.137 1.00 0.00 C ATOM 820 O ILE A 54 7.599 5.994 -10.327 1.00 0.00 O ATOM 821 CB ILE A 54 10.304 4.304 -8.955 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.903 3.796 -7.642 1.00 0.00 C ATOM 823 CG2 ILE A 54 11.048 5.540 -9.440 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.494 4.612 -6.436 1.00 0.00 C ATOM 0 H ILE A 54 8.716 2.774 -7.779 1.00 0.00 H new ATOM 0 HA ILE A 54 8.700 5.481 -8.121 1.00 0.00 H new ATOM 0 HB ILE A 54 10.409 3.522 -9.707 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.599 2.760 -7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.990 3.801 -7.722 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.105 5.304 -9.562 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.635 5.861 -10.396 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.937 6.341 -8.710 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.955 4.195 -5.541 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.822 5.643 -6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.409 4.587 -6.330 1.00 0.00 H new ATOM 836 N ASP A 55 8.357 4.014 -11.081 1.00 0.00 N ATOM 837 CA ASP A 55 7.821 4.196 -12.425 1.00 0.00 C ATOM 838 C ASP A 55 6.363 4.643 -12.373 1.00 0.00 C ATOM 839 O ASP A 55 6.009 5.699 -12.897 1.00 0.00 O ATOM 840 CB ASP A 55 7.940 2.897 -13.224 1.00 0.00 C ATOM 841 CG ASP A 55 7.988 3.141 -14.720 1.00 0.00 C ATOM 842 OD1 ASP A 55 7.423 4.159 -15.174 1.00 0.00 O ATOM 843 OD2 ASP A 55 8.590 2.315 -15.436 1.00 0.00 O ATOM 0 H ASP A 55 8.852 3.133 -10.940 1.00 0.00 H new ATOM 0 HA ASP A 55 8.403 4.973 -12.920 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.840 2.365 -12.916 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.093 2.251 -12.991 1.00 0.00 H new ATOM 848 N TRP A 56 5.524 3.833 -11.738 1.00 0.00 N ATOM 849 CA TRP A 56 4.104 4.146 -11.618 1.00 0.00 C ATOM 850 C TRP A 56 3.890 5.644 -11.434 1.00 0.00 C ATOM 851 O TRP A 56 3.069 6.253 -12.122 1.00 0.00 O ATOM 852 CB TRP A 56 3.490 3.382 -10.444 1.00 0.00 C ATOM 853 CG TRP A 56 2.006 3.560 -10.331 1.00 0.00 C ATOM 854 CD1 TRP A 56 1.042 2.678 -10.730 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.317 4.689 -9.785 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.204 3.192 -10.465 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.063 4.424 -9.884 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.731 5.898 -9.220 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -1.028 5.324 -9.440 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.773 6.791 -8.780 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.594 6.500 -8.891 1.00 0.00 C ATOM 0 H TRP A 56 5.801 2.955 -11.299 1.00 0.00 H new ATOM 0 HA TRP A 56 3.611 3.839 -12.540 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.714 2.321 -10.553 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.960 3.714 -9.518 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.232 1.718 -11.187 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.091 2.731 -10.668 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.782 6.130 -9.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.081 5.102 -9.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.082 7.729 -8.343 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.319 7.218 -8.536 1.00 0.00 H new ATOM 872 N LEU A 57 4.632 6.233 -10.503 1.00 0.00 N ATOM 873 CA LEU A 57 4.524 7.662 -10.229 1.00 0.00 C ATOM 874 C LEU A 57 4.882 8.482 -11.464 1.00 0.00 C ATOM 875 O LEU A 57 4.219 9.470 -11.780 1.00 0.00 O ATOM 876 CB LEU A 57 5.436 8.048 -9.063 1.00 0.00 C ATOM 877 CG LEU A 57 5.104 7.414 -7.712 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.336 7.380 -6.821 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.972 8.170 -7.032 1.00 0.00 C ATOM 0 H LEU A 57 5.315 5.743 -9.925 1.00 0.00 H new ATOM 0 HA LEU A 57 3.490 7.878 -9.960 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.460 7.781 -9.325 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.408 9.132 -8.950 1.00 0.00 H new ATOM 0 HG LEU A 57 4.777 6.388 -7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.080 6.925 -5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.118 6.794 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.694 8.396 -6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.749 7.705 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.271 9.206 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.084 8.141 -7.664 1.00 0.00 H new ATOM 891 N VAL A 58 5.936 8.066 -12.159 1.00 0.00 N ATOM 892 CA VAL A 58 6.381 8.760 -13.362 1.00 0.00 C ATOM 893 C VAL A 58 5.340 8.659 -14.471 1.00 0.00 C ATOM 894 O VAL A 58 4.931 9.668 -15.045 1.00 0.00 O ATOM 895 CB VAL A 58 7.718 8.193 -13.874 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.200 8.975 -15.087 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.763 8.211 -12.768 1.00 0.00 C ATOM 0 H VAL A 58 6.498 7.252 -11.910 1.00 0.00 H new ATOM 0 HA VAL A 58 6.519 9.807 -13.092 1.00 0.00 H new ATOM 0 HB VAL A 58 7.561 7.158 -14.177 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.146 8.560 -15.435 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.459 8.905 -15.883 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.341 10.021 -14.813 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.701 7.807 -13.148 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.919 9.236 -12.432 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.418 7.603 -11.932 1.00 0.00 H new ATOM 907 N SER A 59 4.916 7.435 -14.768 1.00 0.00 N ATOM 908 CA SER A 59 3.925 7.202 -15.812 1.00 0.00 C ATOM 909 C SER A 59 2.669 8.031 -15.563 1.00 0.00 C ATOM 910 O SER A 59 1.978 8.427 -16.501 1.00 0.00 O ATOM 911 CB SER A 59 3.565 5.716 -15.880 1.00 0.00 C ATOM 912 OG SER A 59 2.835 5.422 -17.058 1.00 0.00 O ATOM 0 H SER A 59 5.243 6.589 -14.301 1.00 0.00 H new ATOM 0 HA SER A 59 4.358 7.507 -16.765 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.475 5.117 -15.853 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.976 5.441 -15.005 1.00 0.00 H new ATOM 0 HG SER A 59 2.618 4.466 -17.079 1.00 0.00 H new ATOM 918 N ASN A 60 2.380 8.288 -14.292 1.00 0.00 N ATOM 919 CA ASN A 60 1.206 9.070 -13.918 1.00 0.00 C ATOM 920 C ASN A 60 1.515 10.563 -13.950 1.00 0.00 C ATOM 921 O ASN A 60 0.747 11.376 -13.435 1.00 0.00 O ATOM 922 CB ASN A 60 0.723 8.667 -12.523 1.00 0.00 C ATOM 923 CG ASN A 60 -0.287 7.536 -12.565 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.427 7.691 -12.127 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.128 6.392 -13.095 1.00 0.00 N ATOM 0 H ASN A 60 2.942 7.967 -13.504 1.00 0.00 H new ATOM 0 HA ASN A 60 0.417 8.865 -14.642 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.578 8.364 -11.919 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.276 9.532 -12.032 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.507 5.596 -13.152 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.082 6.309 -13.446 1.00 0.00 H new ATOM 932 N GLN A 61 2.643 10.916 -14.557 1.00 0.00 N ATOM 933 CA GLN A 61 3.052 12.312 -14.656 1.00 0.00 C ATOM 934 C GLN A 61 3.145 12.951 -13.274 1.00 0.00 C ATOM 935 O GLN A 61 2.981 14.162 -13.127 1.00 0.00 O ATOM 936 CB GLN A 61 2.068 13.094 -15.527 1.00 0.00 C ATOM 937 CG GLN A 61 1.780 12.432 -16.865 1.00 0.00 C ATOM 938 CD GLN A 61 0.489 12.920 -17.492 1.00 0.00 C ATOM 939 OE1 GLN A 61 0.499 13.546 -18.553 1.00 0.00 O ATOM 940 NE2 GLN A 61 -0.631 12.635 -16.840 1.00 0.00 N ATOM 0 H GLN A 61 3.290 10.255 -14.987 1.00 0.00 H new ATOM 0 HA GLN A 61 4.039 12.343 -15.118 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.132 13.216 -14.983 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.467 14.093 -15.704 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.607 12.626 -17.548 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.727 11.352 -16.728 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.593 12.114 -15.964 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.530 12.937 -17.215 1.00 0.00 H new ATOM 949 N SER A 62 3.409 12.129 -12.264 1.00 0.00 N ATOM 950 CA SER A 62 3.520 12.613 -10.893 1.00 0.00 C ATOM 951 C SER A 62 4.926 13.135 -10.613 1.00 0.00 C ATOM 952 O SER A 62 5.117 14.021 -9.780 1.00 0.00 O ATOM 953 CB SER A 62 3.172 11.497 -9.906 1.00 0.00 C ATOM 954 OG SER A 62 1.971 10.843 -10.278 1.00 0.00 O ATOM 0 H SER A 62 3.550 11.124 -12.369 1.00 0.00 H new ATOM 0 HA SER A 62 2.815 13.434 -10.766 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.987 10.774 -9.868 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.068 11.913 -8.904 1.00 0.00 H new ATOM 0 HG SER A 62 1.772 10.133 -9.632 1.00 0.00 H new ATOM 960 N VAL A 63 5.907 12.579 -11.316 1.00 0.00 N ATOM 961 CA VAL A 63 7.296 12.988 -11.145 1.00 0.00 C ATOM 962 C VAL A 63 7.973 13.213 -12.493 1.00 0.00 C ATOM 963 O VAL A 63 7.458 12.804 -13.533 1.00 0.00 O ATOM 964 CB VAL A 63 8.097 11.939 -10.351 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.646 11.911 -8.898 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.954 10.565 -10.989 1.00 0.00 C ATOM 0 H VAL A 63 5.766 11.844 -12.009 1.00 0.00 H new ATOM 0 HA VAL A 63 7.283 13.924 -10.587 1.00 0.00 H new ATOM 0 HB VAL A 63 9.151 12.217 -10.374 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.223 11.164 -8.352 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.805 12.891 -8.449 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.587 11.657 -8.851 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.526 9.836 -10.415 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.903 10.276 -10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.330 10.598 -12.012 1.00 0.00 H new ATOM 976 N ARG A 64 9.129 13.867 -12.466 1.00 0.00 N ATOM 977 CA ARG A 64 9.876 14.148 -13.686 1.00 0.00 C ATOM 978 C ARG A 64 10.709 12.940 -14.104 1.00 0.00 C ATOM 979 O ARG A 64 10.877 12.670 -15.293 1.00 0.00 O ATOM 980 CB ARG A 64 10.785 15.362 -13.485 1.00 0.00 C ATOM 981 CG ARG A 64 10.041 16.615 -13.054 1.00 0.00 C ATOM 982 CD ARG A 64 10.914 17.853 -13.181 1.00 0.00 C ATOM 983 NE ARG A 64 10.142 19.085 -13.035 1.00 0.00 N ATOM 984 CZ ARG A 64 10.685 20.297 -13.041 1.00 0.00 C ATOM 985 NH1 ARG A 64 11.995 20.440 -13.185 1.00 0.00 N ATOM 986 NH2 ARG A 64 9.916 21.370 -12.902 1.00 0.00 N ATOM 0 H ARG A 64 9.569 14.212 -11.613 1.00 0.00 H new ATOM 0 HA ARG A 64 9.160 14.366 -14.478 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.538 15.121 -12.735 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.315 15.566 -14.415 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.146 16.736 -13.664 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.711 16.506 -12.021 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.697 17.824 -12.423 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.410 17.849 -14.152 1.00 0.00 H new ATOM 0 HE ARG A 64 9.131 19.010 -12.922 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.589 19.618 -13.292 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.409 21.372 -13.189 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.908 21.264 -12.791 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.333 22.301 -12.907 1.00 0.00 H new ATOM 1000 N ASN A 65 11.229 12.216 -13.118 1.00 0.00 N ATOM 1001 CA ASN A 65 12.045 11.037 -13.383 1.00 0.00 C ATOM 1002 C ASN A 65 11.924 10.025 -12.248 1.00 0.00 C ATOM 1003 O ASN A 65 11.150 10.218 -11.310 1.00 0.00 O ATOM 1004 CB ASN A 65 13.510 11.437 -13.570 1.00 0.00 C ATOM 1005 CG ASN A 65 13.881 12.667 -12.764 1.00 0.00 C ATOM 1006 OD1 ASN A 65 14.371 12.452 -11.549 1.00 0.00 O flip ATOM 1007 ND2 ASN A 65 13.729 13.796 -13.230 1.00 0.00 N flip ATOM 0 H ASN A 65 11.100 12.425 -12.128 1.00 0.00 H new ATOM 0 HA ASN A 65 11.682 10.573 -14.300 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.151 10.606 -13.276 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.700 11.627 -14.626 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.349 13.913 -14.169 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.983 14.614 -12.677 1.00 0.00 H new ATOM 1014 N ARG A 66 12.693 8.945 -12.340 1.00 0.00 N ATOM 1015 CA ARG A 66 12.672 7.902 -11.322 1.00 0.00 C ATOM 1016 C ARG A 66 13.033 8.471 -9.953 1.00 0.00 C ATOM 1017 O ARG A 66 12.243 8.397 -9.012 1.00 0.00 O ATOM 1018 CB ARG A 66 13.643 6.779 -11.691 1.00 0.00 C ATOM 1019 CG ARG A 66 13.032 5.718 -12.593 1.00 0.00 C ATOM 1020 CD ARG A 66 13.121 6.115 -14.059 1.00 0.00 C ATOM 1021 NE ARG A 66 12.244 5.305 -14.899 1.00 0.00 N ATOM 1022 CZ ARG A 66 12.082 5.507 -16.202 1.00 0.00 C ATOM 1023 NH1 ARG A 66 12.735 6.488 -16.810 1.00 0.00 N ATOM 1024 NH2 ARG A 66 11.266 4.727 -16.900 1.00 0.00 N ATOM 0 H ARG A 66 13.339 8.770 -13.110 1.00 0.00 H new ATOM 0 HA ARG A 66 11.661 7.498 -11.274 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.512 7.210 -12.188 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.001 6.305 -10.777 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.546 4.769 -12.440 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.988 5.563 -12.319 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.856 7.167 -14.167 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.150 6.009 -14.401 1.00 0.00 H new ATOM 0 HE ARG A 66 11.727 4.542 -14.462 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.363 7.089 -16.277 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.609 6.641 -17.811 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.762 3.971 -16.436 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.143 4.883 -17.900 1.00 0.00 H new ATOM 1038 N GLN A 67 14.231 9.038 -9.851 1.00 0.00 N ATOM 1039 CA GLN A 67 14.696 9.618 -8.597 1.00 0.00 C ATOM 1040 C GLN A 67 13.605 10.465 -7.950 1.00 0.00 C ATOM 1041 O GLN A 67 13.328 10.333 -6.759 1.00 0.00 O ATOM 1042 CB GLN A 67 15.944 10.470 -8.836 1.00 0.00 C ATOM 1043 CG GLN A 67 17.244 9.692 -8.714 1.00 0.00 C ATOM 1044 CD GLN A 67 17.399 8.640 -9.794 1.00 0.00 C ATOM 1045 OE1 GLN A 67 16.910 8.804 -10.912 1.00 0.00 O ATOM 1046 NE2 GLN A 67 18.084 7.550 -9.466 1.00 0.00 N ATOM 0 H GLN A 67 14.896 9.108 -10.621 1.00 0.00 H new ATOM 0 HA GLN A 67 14.946 8.801 -7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.887 10.912 -9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.954 11.293 -8.121 1.00 0.00 H new ATOM 0 HG2 GLN A 67 18.084 10.385 -8.764 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.285 9.212 -7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.472 7.455 -8.528 1.00 0.00 H new ATOM 0 HE22 GLN A 67 18.222 6.808 -10.153 1.00 0.00 H new ATOM 1055 N GLU A 68 12.989 11.335 -8.745 1.00 0.00 N ATOM 1056 CA GLU A 68 11.928 12.204 -8.249 1.00 0.00 C ATOM 1057 C GLU A 68 10.851 11.393 -7.534 1.00 0.00 C ATOM 1058 O GLU A 68 10.273 11.844 -6.546 1.00 0.00 O ATOM 1059 CB GLU A 68 11.306 12.996 -9.401 1.00 0.00 C ATOM 1060 CG GLU A 68 12.078 14.254 -9.761 1.00 0.00 C ATOM 1061 CD GLU A 68 12.377 15.121 -8.553 1.00 0.00 C ATOM 1062 OE1 GLU A 68 11.518 15.196 -7.650 1.00 0.00 O ATOM 1063 OE2 GLU A 68 13.470 15.723 -8.511 1.00 0.00 O ATOM 0 H GLU A 68 13.206 11.457 -9.734 1.00 0.00 H new ATOM 0 HA GLU A 68 12.368 12.901 -7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.243 12.354 -10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.286 13.270 -9.133 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.014 13.975 -10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.505 14.832 -10.486 1.00 0.00 H new ATOM 1070 N GLY A 69 10.586 10.194 -8.042 1.00 0.00 N ATOM 1071 CA GLY A 69 9.578 9.339 -7.441 1.00 0.00 C ATOM 1072 C GLY A 69 10.084 8.631 -6.200 1.00 0.00 C ATOM 1073 O GLY A 69 9.296 8.127 -5.399 1.00 0.00 O ATOM 0 H GLY A 69 11.051 9.799 -8.859 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.705 9.938 -7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.252 8.598 -8.171 1.00 0.00 H new ATOM 1077 N LEU A 70 11.402 8.591 -6.039 1.00 0.00 N ATOM 1078 CA LEU A 70 12.013 7.938 -4.887 1.00 0.00 C ATOM 1079 C LEU A 70 11.512 8.553 -3.584 1.00 0.00 C ATOM 1080 O LEU A 70 11.192 7.841 -2.633 1.00 0.00 O ATOM 1081 CB LEU A 70 13.537 8.046 -4.963 1.00 0.00 C ATOM 1082 CG LEU A 70 14.323 6.865 -4.392 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.693 6.382 -3.095 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.395 5.733 -5.406 1.00 0.00 C ATOM 0 H LEU A 70 12.068 9.003 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 70 11.729 6.886 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.820 8.174 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.844 8.950 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 70 15.338 7.198 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.266 5.541 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.694 7.193 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.667 6.065 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.958 4.901 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.387 5.401 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.892 6.085 -6.310 1.00 0.00 H new ATOM 1096 N MET A 71 11.446 9.880 -3.549 1.00 0.00 N ATOM 1097 CA MET A 71 10.981 10.590 -2.363 1.00 0.00 C ATOM 1098 C MET A 71 9.524 10.252 -2.063 1.00 0.00 C ATOM 1099 O MET A 71 9.204 9.749 -0.986 1.00 0.00 O ATOM 1100 CB MET A 71 11.137 12.100 -2.553 1.00 0.00 C ATOM 1101 CG MET A 71 12.423 12.494 -3.263 1.00 0.00 C ATOM 1102 SD MET A 71 13.883 11.733 -2.527 1.00 0.00 S ATOM 1103 CE MET A 71 14.982 11.675 -3.940 1.00 0.00 C ATOM 0 H MET A 71 11.708 10.485 -4.327 1.00 0.00 H new ATOM 0 HA MET A 71 11.591 10.272 -1.517 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.287 12.476 -3.123 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.107 12.586 -1.578 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.357 12.206 -4.312 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.531 13.578 -3.237 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.605 10.782 -3.880 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.394 11.647 -4.857 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.617 12.561 -3.943 1.00 0.00 H new ATOM 1113 N ILE A 72 8.647 10.531 -3.021 1.00 0.00 N ATOM 1114 CA ILE A 72 7.225 10.255 -2.859 1.00 0.00 C ATOM 1115 C ILE A 72 6.997 8.845 -2.325 1.00 0.00 C ATOM 1116 O ILE A 72 6.192 8.636 -1.418 1.00 0.00 O ATOM 1117 CB ILE A 72 6.464 10.419 -4.187 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.604 11.851 -4.707 1.00 0.00 C ATOM 1119 CG2 ILE A 72 4.998 10.056 -4.006 1.00 0.00 C ATOM 1120 CD1 ILE A 72 6.069 12.895 -3.751 1.00 0.00 C ATOM 0 H ILE A 72 8.896 10.948 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 72 6.843 10.980 -2.140 1.00 0.00 H new ATOM 0 HB ILE A 72 6.897 9.742 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.656 12.056 -4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.078 11.937 -5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.473 10.177 -4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.918 9.020 -3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.551 10.710 -3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.201 13.887 -4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.009 12.715 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.611 12.836 -2.807 1.00 0.00 H new ATOM 1132 N ALA A 73 7.711 7.880 -2.895 1.00 0.00 N ATOM 1133 CA ALA A 73 7.589 6.489 -2.474 1.00 0.00 C ATOM 1134 C ALA A 73 7.990 6.320 -1.013 1.00 0.00 C ATOM 1135 O ALA A 73 7.341 5.593 -0.261 1.00 0.00 O ATOM 1136 CB ALA A 73 8.438 5.593 -3.364 1.00 0.00 C ATOM 0 H ALA A 73 8.380 8.035 -3.649 1.00 0.00 H new ATOM 0 HA ALA A 73 6.544 6.195 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.338 4.557 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.102 5.683 -4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.483 5.896 -3.294 1.00 0.00 H new ATOM 1142 N SER A 74 9.064 6.997 -0.617 1.00 0.00 N ATOM 1143 CA SER A 74 9.554 6.918 0.754 1.00 0.00 C ATOM 1144 C SER A 74 8.497 7.410 1.738 1.00 0.00 C ATOM 1145 O SER A 74 8.150 6.714 2.692 1.00 0.00 O ATOM 1146 CB SER A 74 10.834 7.741 0.909 1.00 0.00 C ATOM 1147 OG SER A 74 10.542 9.125 1.000 1.00 0.00 O ATOM 0 H SER A 74 9.611 7.606 -1.226 1.00 0.00 H new ATOM 0 HA SER A 74 9.773 5.874 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.371 7.420 1.802 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.492 7.560 0.059 1.00 0.00 H new ATOM 0 HG SER A 74 10.244 9.455 0.127 1.00 0.00 H new ATOM 1153 N SER A 75 7.990 8.615 1.498 1.00 0.00 N ATOM 1154 CA SER A 75 6.975 9.203 2.365 1.00 0.00 C ATOM 1155 C SER A 75 5.808 8.241 2.565 1.00 0.00 C ATOM 1156 O SER A 75 5.322 8.061 3.683 1.00 0.00 O ATOM 1157 CB SER A 75 6.470 10.520 1.772 1.00 0.00 C ATOM 1158 OG SER A 75 6.537 10.501 0.357 1.00 0.00 O ATOM 0 H SER A 75 8.265 9.203 0.711 1.00 0.00 H new ATOM 0 HA SER A 75 7.430 9.400 3.336 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.441 10.694 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.066 11.348 2.156 1.00 0.00 H new ATOM 0 HG SER A 75 6.090 9.697 0.019 1.00 0.00 H new ATOM 1164 N LEU A 76 5.363 7.627 1.475 1.00 0.00 N ATOM 1165 CA LEU A 76 4.252 6.682 1.529 1.00 0.00 C ATOM 1166 C LEU A 76 4.481 5.634 2.613 1.00 0.00 C ATOM 1167 O LEU A 76 3.536 5.168 3.251 1.00 0.00 O ATOM 1168 CB LEU A 76 4.071 5.999 0.173 1.00 0.00 C ATOM 1169 CG LEU A 76 3.340 6.812 -0.896 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.478 6.149 -2.258 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.873 6.980 -0.528 1.00 0.00 C ATOM 0 H LEU A 76 5.754 7.766 0.543 1.00 0.00 H new ATOM 0 HA LEU A 76 3.346 7.238 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.056 5.733 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.527 5.067 0.328 1.00 0.00 H new ATOM 0 HG LEU A 76 3.796 7.801 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.952 6.742 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.533 6.082 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.049 5.148 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.368 7.561 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.404 6.000 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.795 7.500 0.427 1.00 0.00 H new ATOM 1183 N LEU A 77 5.741 5.268 2.818 1.00 0.00 N ATOM 1184 CA LEU A 77 6.096 4.276 3.827 1.00 0.00 C ATOM 1185 C LEU A 77 6.126 4.901 5.218 1.00 0.00 C ATOM 1186 O LEU A 77 5.905 4.221 6.220 1.00 0.00 O ATOM 1187 CB LEU A 77 7.456 3.655 3.505 1.00 0.00 C ATOM 1188 CG LEU A 77 7.431 2.406 2.623 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.846 1.981 2.260 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.694 1.273 3.322 1.00 0.00 C ATOM 0 H LEU A 77 6.535 5.643 2.299 1.00 0.00 H new ATOM 0 HA LEU A 77 5.336 3.495 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.071 4.410 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.949 3.403 4.444 1.00 0.00 H new ATOM 0 HG LEU A 77 6.898 2.645 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.809 1.091 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.340 2.787 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.404 1.760 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.686 0.393 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.198 1.034 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.669 1.579 3.530 1.00 0.00 H new ATOM 1202 N ASN A 78 6.400 6.200 5.272 1.00 0.00 N ATOM 1203 CA ASN A 78 6.458 6.918 6.540 1.00 0.00 C ATOM 1204 C ASN A 78 5.062 7.095 7.129 1.00 0.00 C ATOM 1205 O ASN A 78 4.883 7.064 8.346 1.00 0.00 O ATOM 1206 CB ASN A 78 7.119 8.284 6.348 1.00 0.00 C ATOM 1207 CG ASN A 78 8.629 8.218 6.471 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.162 7.571 7.373 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.327 8.889 5.563 1.00 0.00 N ATOM 0 H ASN A 78 6.586 6.777 4.452 1.00 0.00 H new ATOM 0 HA ASN A 78 7.055 6.328 7.235 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.854 8.678 5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.727 8.982 7.088 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.346 8.882 5.596 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.844 9.412 4.833 1.00 0.00 H new ATOM 1216 N GLU A 79 4.076 7.279 6.256 1.00 0.00 N ATOM 1217 CA GLU A 79 2.696 7.461 6.691 1.00 0.00 C ATOM 1218 C GLU A 79 2.021 6.114 6.936 1.00 0.00 C ATOM 1219 O GLU A 79 1.207 5.973 7.847 1.00 0.00 O ATOM 1220 CB GLU A 79 1.909 8.255 5.645 1.00 0.00 C ATOM 1221 CG GLU A 79 2.515 9.612 5.330 1.00 0.00 C ATOM 1222 CD GLU A 79 2.329 10.610 6.457 1.00 0.00 C ATOM 1223 OE1 GLU A 79 1.277 11.282 6.486 1.00 0.00 O ATOM 1224 OE2 GLU A 79 3.235 10.718 7.310 1.00 0.00 O ATOM 0 H GLU A 79 4.207 7.306 5.245 1.00 0.00 H new ATOM 0 HA GLU A 79 2.707 8.018 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.849 7.671 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.888 8.396 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.579 9.492 5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.060 10.007 4.421 1.00 0.00 H new ATOM 1231 N GLY A 80 2.365 5.127 6.114 1.00 0.00 N ATOM 1232 CA GLY A 80 1.784 3.806 6.257 1.00 0.00 C ATOM 1233 C GLY A 80 1.112 3.327 4.985 1.00 0.00 C ATOM 1234 O GLY A 80 0.759 2.153 4.865 1.00 0.00 O ATOM 0 H GLY A 80 3.036 5.220 5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.563 3.099 6.541 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.055 3.819 7.067 1.00 0.00 H new ATOM 1238 N TYR A 81 0.934 4.237 4.034 1.00 0.00 N ATOM 1239 CA TYR A 81 0.296 3.902 2.766 1.00 0.00 C ATOM 1240 C TYR A 81 0.887 2.624 2.180 1.00 0.00 C ATOM 1241 O TYR A 81 0.188 1.841 1.536 1.00 0.00 O ATOM 1242 CB TYR A 81 0.454 5.054 1.772 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.278 6.312 2.182 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.666 6.347 2.229 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.419 7.465 2.520 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.339 7.495 2.602 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.246 8.617 2.895 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.624 8.627 2.934 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.290 9.772 3.306 1.00 0.00 O ATOM 0 H TYR A 81 1.222 5.212 4.117 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.765 3.737 2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.514 5.281 1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.090 4.733 0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.229 5.462 1.970 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.499 7.461 2.489 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.418 7.506 2.633 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.311 9.505 3.156 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.640 10.477 3.509 1.00 0.00 H new ATOM 1259 N LEU A 82 2.180 2.420 2.408 1.00 0.00 N ATOM 1260 CA LEU A 82 2.868 1.236 1.903 1.00 0.00 C ATOM 1261 C LEU A 82 3.594 0.507 3.029 1.00 0.00 C ATOM 1262 O LEU A 82 4.096 1.131 3.963 1.00 0.00 O ATOM 1263 CB LEU A 82 3.863 1.628 0.809 1.00 0.00 C ATOM 1264 CG LEU A 82 3.267 2.279 -0.439 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.357 2.935 -1.272 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.508 1.251 -1.265 1.00 0.00 C ATOM 0 H LEU A 82 2.773 3.058 2.939 1.00 0.00 H new ATOM 0 HA LEU A 82 2.121 0.563 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.593 2.314 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.407 0.734 0.503 1.00 0.00 H new ATOM 0 HG LEU A 82 2.566 3.052 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.913 3.393 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.857 3.701 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.083 2.182 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.090 1.732 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.188 0.456 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.701 0.828 -0.667 1.00 0.00 H new ATOM 1278 N GLN A 83 3.646 -0.818 2.932 1.00 0.00 N ATOM 1279 CA GLN A 83 4.312 -1.632 3.942 1.00 0.00 C ATOM 1280 C GLN A 83 5.315 -2.584 3.299 1.00 0.00 C ATOM 1281 O GLN A 83 5.069 -3.161 2.240 1.00 0.00 O ATOM 1282 CB GLN A 83 3.282 -2.425 4.748 1.00 0.00 C ATOM 1283 CG GLN A 83 2.320 -1.549 5.535 1.00 0.00 C ATOM 1284 CD GLN A 83 2.905 -1.077 6.852 1.00 0.00 C ATOM 1285 OE1 GLN A 83 3.154 -1.876 7.756 1.00 0.00 O ATOM 1286 NE2 GLN A 83 3.128 0.227 6.967 1.00 0.00 N ATOM 0 H GLN A 83 3.235 -1.350 2.165 1.00 0.00 H new ATOM 0 HA GLN A 83 4.852 -0.964 4.613 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.711 -3.058 4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.805 -3.087 5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.047 -0.683 4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.403 -2.105 5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.907 0.853 6.192 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.521 0.603 7.830 1.00 0.00 H new ATOM 1295 N PRO A 84 6.474 -2.753 3.953 1.00 0.00 N ATOM 1296 CA PRO A 84 7.537 -3.635 3.464 1.00 0.00 C ATOM 1297 C PRO A 84 7.157 -5.109 3.556 1.00 0.00 C ATOM 1298 O PRO A 84 6.425 -5.515 4.458 1.00 0.00 O ATOM 1299 CB PRO A 84 8.711 -3.326 4.397 1.00 0.00 C ATOM 1300 CG PRO A 84 8.079 -2.825 5.649 1.00 0.00 C ATOM 1301 CD PRO A 84 6.834 -2.097 5.222 1.00 0.00 C ATOM 0 HA PRO A 84 7.755 -3.464 2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.312 -4.216 4.586 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.376 -2.579 3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.838 -3.649 6.321 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.754 -2.160 6.188 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.040 -2.191 5.962 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.018 -1.031 5.085 1.00 0.00 H new ATOM 1309 N ALA A 85 7.659 -5.905 2.618 1.00 0.00 N ATOM 1310 CA ALA A 85 7.373 -7.334 2.595 1.00 0.00 C ATOM 1311 C ALA A 85 8.642 -8.143 2.350 1.00 0.00 C ATOM 1312 O ALA A 85 9.013 -8.402 1.206 1.00 0.00 O ATOM 1313 CB ALA A 85 6.331 -7.647 1.532 1.00 0.00 C ATOM 0 H ALA A 85 8.266 -5.584 1.864 1.00 0.00 H new ATOM 0 HA ALA A 85 6.976 -7.616 3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.127 -8.718 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.412 -7.104 1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.706 -7.344 0.554 1.00 0.00 H new ATOM 1319 N GLY A 86 9.305 -8.540 3.432 1.00 0.00 N ATOM 1320 CA GLY A 86 10.525 -9.316 3.312 1.00 0.00 C ATOM 1321 C GLY A 86 11.713 -8.632 3.960 1.00 0.00 C ATOM 1322 O GLY A 86 11.701 -7.418 4.168 1.00 0.00 O ATOM 0 H GLY A 86 9.019 -8.338 4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.377 -10.293 3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.740 -9.489 2.257 1.00 0.00 H new ATOM 1326 N ASP A 87 12.739 -9.411 4.281 1.00 0.00 N ATOM 1327 CA ASP A 87 13.940 -8.873 4.910 1.00 0.00 C ATOM 1328 C ASP A 87 14.592 -7.817 4.023 1.00 0.00 C ATOM 1329 O ASP A 87 15.389 -7.005 4.491 1.00 0.00 O ATOM 1330 CB ASP A 87 14.936 -9.997 5.202 1.00 0.00 C ATOM 1331 CG ASP A 87 16.075 -9.544 6.094 1.00 0.00 C ATOM 1332 OD1 ASP A 87 16.871 -8.690 5.652 1.00 0.00 O ATOM 1333 OD2 ASP A 87 16.170 -10.045 7.235 1.00 0.00 O ATOM 0 H ASP A 87 12.764 -10.417 4.116 1.00 0.00 H new ATOM 0 HA ASP A 87 13.649 -8.403 5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.414 -10.827 5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.341 -10.372 4.262 1.00 0.00 H new ATOM 1338 N MET A 88 14.248 -7.835 2.739 1.00 0.00 N ATOM 1339 CA MET A 88 14.800 -6.879 1.787 1.00 0.00 C ATOM 1340 C MET A 88 14.541 -5.447 2.243 1.00 0.00 C ATOM 1341 O MET A 88 15.472 -4.717 2.585 1.00 0.00 O ATOM 1342 CB MET A 88 14.195 -7.102 0.399 1.00 0.00 C ATOM 1343 CG MET A 88 14.779 -6.195 -0.671 1.00 0.00 C ATOM 1344 SD MET A 88 16.308 -6.844 -1.372 1.00 0.00 S ATOM 1345 CE MET A 88 16.693 -5.577 -2.578 1.00 0.00 C ATOM 0 H MET A 88 13.590 -8.501 2.335 1.00 0.00 H new ATOM 0 HA MET A 88 15.877 -7.036 1.735 1.00 0.00 H new ATOM 0 HB2 MET A 88 14.349 -8.141 0.107 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.118 -6.942 0.451 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.047 -6.061 -1.467 1.00 0.00 H new ATOM 0 HG3 MET A 88 14.969 -5.211 -0.243 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.555 -5.887 -3.169 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.837 -5.428 -3.236 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.922 -4.643 -2.064 1.00 0.00 H new ATOM 1355 N SER A 89 13.272 -5.051 2.246 1.00 0.00 N ATOM 1356 CA SER A 89 12.893 -3.704 2.656 1.00 0.00 C ATOM 1357 C SER A 89 12.889 -3.580 4.177 1.00 0.00 C ATOM 1358 O SER A 89 13.341 -2.578 4.731 1.00 0.00 O ATOM 1359 CB SER A 89 11.512 -3.349 2.101 1.00 0.00 C ATOM 1360 OG SER A 89 10.558 -4.344 2.432 1.00 0.00 O ATOM 0 H SER A 89 12.489 -5.644 1.969 1.00 0.00 H new ATOM 0 HA SER A 89 13.629 -3.008 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.192 -2.387 2.501 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.569 -3.241 1.018 1.00 0.00 H new ATOM 0 HG SER A 89 9.791 -4.276 1.826 1.00 0.00 H new ATOM 1366 N LYS A 90 12.377 -4.607 4.846 1.00 0.00 N ATOM 1367 CA LYS A 90 12.314 -4.616 6.303 1.00 0.00 C ATOM 1368 C LYS A 90 13.601 -4.063 6.906 1.00 0.00 C ATOM 1369 O LYS A 90 13.584 -3.449 7.973 1.00 0.00 O ATOM 1370 CB LYS A 90 12.069 -6.037 6.815 1.00 0.00 C ATOM 1371 CG LYS A 90 10.598 -6.400 6.921 1.00 0.00 C ATOM 1372 CD LYS A 90 10.400 -7.724 7.639 1.00 0.00 C ATOM 1373 CE LYS A 90 9.024 -8.309 7.361 1.00 0.00 C ATOM 1374 NZ LYS A 90 8.911 -9.715 7.840 1.00 0.00 N ATOM 0 H LYS A 90 11.999 -5.444 4.403 1.00 0.00 H new ATOM 0 HA LYS A 90 11.485 -3.978 6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.562 -6.744 6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.533 -6.146 7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.066 -5.613 7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.164 -6.458 5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.167 -8.430 7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.525 -7.579 8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.264 -7.697 7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.824 -8.273 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.959 -10.077 7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.619 -10.304 7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.077 -9.746 8.866 1.00 0.00 H new ATOM 1388 N SER A 91 14.716 -4.283 6.216 1.00 0.00 N ATOM 1389 CA SER A 91 16.012 -3.808 6.685 1.00 0.00 C ATOM 1390 C SER A 91 16.150 -2.304 6.471 1.00 0.00 C ATOM 1391 O SER A 91 16.603 -1.579 7.356 1.00 0.00 O ATOM 1392 CB SER A 91 17.141 -4.544 5.960 1.00 0.00 C ATOM 1393 OG SER A 91 17.492 -5.736 6.640 1.00 0.00 O ATOM 0 H SER A 91 14.747 -4.787 5.330 1.00 0.00 H new ATOM 0 HA SER A 91 16.081 -4.013 7.753 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.830 -4.780 4.942 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.013 -3.894 5.885 1.00 0.00 H new ATOM 0 HG SER A 91 17.170 -6.510 6.132 1.00 0.00 H new ATOM 1399 N ALA A 92 15.755 -1.843 5.289 1.00 0.00 N ATOM 1400 CA ALA A 92 15.832 -0.425 4.958 1.00 0.00 C ATOM 1401 C ALA A 92 15.066 0.418 5.972 1.00 0.00 C ATOM 1402 O ALA A 92 15.618 1.344 6.568 1.00 0.00 O ATOM 1403 CB ALA A 92 15.296 -0.181 3.555 1.00 0.00 C ATOM 0 H ALA A 92 15.379 -2.430 4.545 1.00 0.00 H new ATOM 0 HA ALA A 92 16.880 -0.126 4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.359 0.882 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 92 15.888 -0.747 2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.256 -0.503 3.502 1.00 0.00 H new ATOM 1409 N VAL A 93 13.792 0.092 6.164 1.00 0.00 N ATOM 1410 CA VAL A 93 12.951 0.820 7.107 1.00 0.00 C ATOM 1411 C VAL A 93 13.568 0.827 8.501 1.00 0.00 C ATOM 1412 O VAL A 93 13.513 1.833 9.210 1.00 0.00 O ATOM 1413 CB VAL A 93 11.539 0.210 7.186 1.00 0.00 C ATOM 1414 CG1 VAL A 93 10.821 0.350 5.852 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.612 -1.249 7.610 1.00 0.00 C ATOM 0 H VAL A 93 13.320 -0.671 5.679 1.00 0.00 H new ATOM 0 HA VAL A 93 12.877 1.844 6.740 1.00 0.00 H new ATOM 0 HB VAL A 93 10.968 0.755 7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.825 -0.087 5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.736 1.406 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.387 -0.168 5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.605 -1.664 7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.200 -1.810 6.883 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.083 -1.320 8.590 1.00 0.00 H new ATOM 1425 N ASP A 94 14.154 -0.300 8.888 1.00 0.00 N ATOM 1426 CA ASP A 94 14.784 -0.423 10.198 1.00 0.00 C ATOM 1427 C ASP A 94 16.304 -0.385 10.076 1.00 0.00 C ATOM 1428 O ASP A 94 17.009 -1.155 10.727 1.00 0.00 O ATOM 1429 CB ASP A 94 14.347 -1.722 10.877 1.00 0.00 C ATOM 1430 CG ASP A 94 14.788 -1.795 12.326 1.00 0.00 C ATOM 1431 OD1 ASP A 94 14.845 -0.734 12.983 1.00 0.00 O ATOM 1432 OD2 ASP A 94 15.075 -2.912 12.803 1.00 0.00 O ATOM 0 H ASP A 94 14.206 -1.142 8.314 1.00 0.00 H new ATOM 0 HA ASP A 94 14.465 0.422 10.808 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.262 -1.808 10.826 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.760 -2.570 10.331 1.00 0.00 H new ATOM 1437 N GLY A 95 16.803 0.517 9.236 1.00 0.00 N ATOM 1438 CA GLY A 95 18.236 0.638 9.043 1.00 0.00 C ATOM 1439 C GLY A 95 18.683 2.080 8.906 1.00 0.00 C ATOM 1440 O GLY A 95 17.890 3.004 9.090 1.00 0.00 O ATOM 0 H GLY A 95 16.240 1.166 8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 95 18.753 0.179 9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 95 18.527 0.084 8.151 1.00 0.00 H new ATOM 1444 N THR A 96 19.958 2.275 8.585 1.00 0.00 N ATOM 1445 CA THR A 96 20.511 3.614 8.427 1.00 0.00 C ATOM 1446 C THR A 96 20.468 4.058 6.969 1.00 0.00 C ATOM 1447 O THR A 96 21.451 3.926 6.241 1.00 0.00 O ATOM 1448 CB THR A 96 21.964 3.686 8.931 1.00 0.00 C ATOM 1449 OG1 THR A 96 22.522 4.971 8.637 1.00 0.00 O ATOM 1450 CG2 THR A 96 22.814 2.600 8.287 1.00 0.00 C ATOM 0 H THR A 96 20.628 1.522 8.429 1.00 0.00 H new ATOM 0 HA THR A 96 19.894 4.283 9.026 1.00 0.00 H new ATOM 0 HB THR A 96 21.959 3.531 10.010 1.00 0.00 H new ATOM 0 HG1 THR A 96 23.446 5.009 8.962 1.00 0.00 H new ATOM 0 HG21 THR A 96 23.836 2.670 8.658 1.00 0.00 H new ATOM 0 HG22 THR A 96 22.404 1.621 8.536 1.00 0.00 H new ATOM 0 HG23 THR A 96 22.811 2.730 7.205 1.00 0.00 H new ATOM 1458 N ALA A 97 19.322 4.585 6.549 1.00 0.00 N ATOM 1459 CA ALA A 97 19.153 5.052 5.179 1.00 0.00 C ATOM 1460 C ALA A 97 18.173 6.218 5.113 1.00 0.00 C ATOM 1461 O ALA A 97 17.064 6.139 5.640 1.00 0.00 O ATOM 1462 CB ALA A 97 18.680 3.912 4.288 1.00 0.00 C ATOM 0 H ALA A 97 18.497 4.699 7.138 1.00 0.00 H new ATOM 0 HA ALA A 97 20.120 5.404 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 97 18.558 4.275 3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 97 19.417 3.109 4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 97 17.726 3.535 4.656 1.00 0.00 H new ATOM 1468 N GLU A 98 18.590 7.300 4.463 1.00 0.00 N ATOM 1469 CA GLU A 98 17.749 8.483 4.330 1.00 0.00 C ATOM 1470 C GLU A 98 16.336 8.100 3.899 1.00 0.00 C ATOM 1471 O GLU A 98 15.353 8.624 4.421 1.00 0.00 O ATOM 1472 CB GLU A 98 18.355 9.458 3.318 1.00 0.00 C ATOM 1473 CG GLU A 98 18.631 8.832 1.961 1.00 0.00 C ATOM 1474 CD GLU A 98 19.546 9.683 1.102 1.00 0.00 C ATOM 1475 OE1 GLU A 98 20.419 10.373 1.669 1.00 0.00 O ATOM 1476 OE2 GLU A 98 19.389 9.660 -0.137 1.00 0.00 O ATOM 0 H GLU A 98 19.505 7.381 4.020 1.00 0.00 H new ATOM 0 HA GLU A 98 17.695 8.969 5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.678 10.302 3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 98 19.286 9.856 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.082 7.850 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.687 8.677 1.438 1.00 0.00 H new ATOM 1483 N ASN A 99 16.243 7.182 2.943 1.00 0.00 N ATOM 1484 CA ASN A 99 14.952 6.729 2.440 1.00 0.00 C ATOM 1485 C ASN A 99 14.747 5.244 2.725 1.00 0.00 C ATOM 1486 O ASN A 99 15.513 4.390 2.279 1.00 0.00 O ATOM 1487 CB ASN A 99 14.846 6.990 0.936 1.00 0.00 C ATOM 1488 CG ASN A 99 15.113 8.440 0.581 1.00 0.00 C ATOM 1489 OD1 ASN A 99 16.156 8.673 -0.207 1.00 0.00 O flip ATOM 1490 ND2 ASN A 99 14.390 9.339 1.010 1.00 0.00 N flip ATOM 0 H ASN A 99 17.047 6.737 2.501 1.00 0.00 H new ATOM 0 HA ASN A 99 14.173 7.291 2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.556 6.353 0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.850 6.712 0.591 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.599 9.113 1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.582 10.310 0.762 1.00 0.00 H new ATOM 1497 N PRO A 100 13.689 4.928 3.487 1.00 0.00 N ATOM 1498 CA PRO A 100 13.358 3.546 3.848 1.00 0.00 C ATOM 1499 C PRO A 100 12.864 2.738 2.654 1.00 0.00 C ATOM 1500 O PRO A 100 12.691 1.522 2.744 1.00 0.00 O ATOM 1501 CB PRO A 100 12.242 3.708 4.883 1.00 0.00 C ATOM 1502 CG PRO A 100 11.621 5.025 4.568 1.00 0.00 C ATOM 1503 CD PRO A 100 12.734 5.895 4.054 1.00 0.00 C ATOM 0 HA PRO A 100 14.227 3.002 4.219 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.514 2.900 4.810 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.638 3.690 5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.834 4.917 3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.162 5.462 5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.379 6.598 3.301 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.185 6.484 4.853 1.00 0.00 H new ATOM 1511 N PHE A 101 12.639 3.419 1.536 1.00 0.00 N ATOM 1512 CA PHE A 101 12.164 2.763 0.323 1.00 0.00 C ATOM 1513 C PHE A 101 13.335 2.332 -0.556 1.00 0.00 C ATOM 1514 O PHE A 101 14.457 2.812 -0.395 1.00 0.00 O ATOM 1515 CB PHE A 101 11.242 3.699 -0.461 1.00 0.00 C ATOM 1516 CG PHE A 101 10.390 2.991 -1.475 1.00 0.00 C ATOM 1517 CD1 PHE A 101 10.890 2.694 -2.732 1.00 0.00 C ATOM 1518 CD2 PHE A 101 9.090 2.621 -1.170 1.00 0.00 C ATOM 1519 CE1 PHE A 101 10.108 2.043 -3.668 1.00 0.00 C ATOM 1520 CE2 PHE A 101 8.303 1.970 -2.101 1.00 0.00 C ATOM 1521 CZ PHE A 101 8.813 1.679 -3.351 1.00 0.00 C ATOM 0 H PHE A 101 12.778 4.425 1.444 1.00 0.00 H new ATOM 0 HA PHE A 101 11.605 1.874 0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.595 4.229 0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 101 11.847 4.451 -0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.902 2.974 -2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 101 8.687 2.844 -0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 101 10.509 1.819 -4.646 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.290 1.689 -1.851 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.201 1.168 -4.079 1.00 0.00 H new ATOM 1531 N LEU A 102 13.064 1.422 -1.486 1.00 0.00 N ATOM 1532 CA LEU A 102 14.094 0.924 -2.391 1.00 0.00 C ATOM 1533 C LEU A 102 13.566 0.833 -3.819 1.00 0.00 C ATOM 1534 O LEU A 102 12.561 0.170 -4.079 1.00 0.00 O ATOM 1535 CB LEU A 102 14.587 -0.448 -1.929 1.00 0.00 C ATOM 1536 CG LEU A 102 14.883 -0.586 -0.435 1.00 0.00 C ATOM 1537 CD1 LEU A 102 14.736 -2.034 0.006 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.279 -0.069 -0.118 1.00 0.00 C ATOM 0 H LEU A 102 12.141 1.015 -1.633 1.00 0.00 H new ATOM 0 HA LEU A 102 14.927 1.627 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.838 -1.192 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.494 -0.692 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 102 14.161 0.016 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.950 -2.113 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.717 -2.371 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.435 -2.657 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.473 -0.175 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.016 -0.644 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.350 0.982 -0.397 1.00 0.00 H new ATOM 1550 N ASP A 103 14.250 1.500 -4.741 1.00 0.00 N ATOM 1551 CA ASP A 103 13.852 1.492 -6.144 1.00 0.00 C ATOM 1552 C ASP A 103 14.332 0.220 -6.838 1.00 0.00 C ATOM 1553 O ASP A 103 14.708 0.245 -8.009 1.00 0.00 O ATOM 1554 CB ASP A 103 14.411 2.721 -6.863 1.00 0.00 C ATOM 1555 CG ASP A 103 14.143 2.691 -8.355 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.155 2.048 -8.768 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.921 3.311 -9.109 1.00 0.00 O ATOM 0 H ASP A 103 15.083 2.054 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 103 12.763 1.520 -6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.969 3.621 -6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.486 2.781 -6.691 1.00 0.00 H new ATOM 1562 N ASN A 104 14.315 -0.889 -6.106 1.00 0.00 N ATOM 1563 CA ASN A 104 14.751 -2.170 -6.650 1.00 0.00 C ATOM 1564 C ASN A 104 13.553 -3.061 -6.968 1.00 0.00 C ATOM 1565 O ASN A 104 12.547 -3.068 -6.258 1.00 0.00 O ATOM 1566 CB ASN A 104 15.679 -2.879 -5.662 1.00 0.00 C ATOM 1567 CG ASN A 104 17.143 -2.615 -5.953 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.559 -2.572 -7.111 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.933 -2.438 -4.900 1.00 0.00 N ATOM 0 H ASN A 104 14.004 -0.927 -5.135 1.00 0.00 H new ATOM 0 HA ASN A 104 15.295 -1.977 -7.575 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.447 -2.549 -4.649 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.492 -3.952 -5.698 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.928 -2.258 -5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.545 -2.482 -3.958 1.00 0.00 H new ATOM 1576 N PRO A 105 13.662 -3.830 -8.061 1.00 0.00 N ATOM 1577 CA PRO A 105 12.599 -4.740 -8.499 1.00 0.00 C ATOM 1578 C PRO A 105 12.430 -5.929 -7.559 1.00 0.00 C ATOM 1579 O PRO A 105 11.408 -6.614 -7.587 1.00 0.00 O ATOM 1580 CB PRO A 105 13.078 -5.210 -9.874 1.00 0.00 C ATOM 1581 CG PRO A 105 14.560 -5.064 -9.830 1.00 0.00 C ATOM 1582 CD PRO A 105 14.832 -3.872 -8.954 1.00 0.00 C ATOM 0 HA PRO A 105 11.625 -4.250 -8.516 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.788 -6.244 -10.062 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.644 -4.607 -10.672 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.029 -5.961 -9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.967 -4.915 -10.830 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.760 -3.988 -8.395 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.924 -2.957 -9.539 1.00 0.00 H new ATOM 1590 N ASP A 106 13.438 -6.167 -6.727 1.00 0.00 N ATOM 1591 CA ASP A 106 13.400 -7.272 -5.776 1.00 0.00 C ATOM 1592 C ASP A 106 12.626 -6.883 -4.521 1.00 0.00 C ATOM 1593 O ASP A 106 12.078 -7.739 -3.828 1.00 0.00 O ATOM 1594 CB ASP A 106 14.820 -7.701 -5.403 1.00 0.00 C ATOM 1595 CG ASP A 106 15.567 -8.312 -6.572 1.00 0.00 C ATOM 1596 OD1 ASP A 106 15.412 -9.530 -6.804 1.00 0.00 O ATOM 1597 OD2 ASP A 106 16.304 -7.573 -7.257 1.00 0.00 O ATOM 0 H ASP A 106 14.291 -5.610 -6.692 1.00 0.00 H new ATOM 0 HA ASP A 106 12.889 -8.110 -6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.372 -6.837 -5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.776 -8.422 -4.587 1.00 0.00 H new ATOM 1602 N ALA A 107 12.588 -5.586 -4.234 1.00 0.00 N ATOM 1603 CA ALA A 107 11.880 -5.084 -3.062 1.00 0.00 C ATOM 1604 C ALA A 107 10.375 -5.284 -3.202 1.00 0.00 C ATOM 1605 O ALA A 107 9.774 -4.874 -4.195 1.00 0.00 O ATOM 1606 CB ALA A 107 12.201 -3.613 -2.843 1.00 0.00 C ATOM 0 H ALA A 107 13.039 -4.864 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 107 12.216 -5.652 -2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.666 -3.251 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.273 -3.494 -2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 107 11.894 -3.039 -3.717 1.00 0.00 H new ATOM 1612 N PHE A 108 9.772 -5.917 -2.202 1.00 0.00 N ATOM 1613 CA PHE A 108 8.336 -6.173 -2.214 1.00 0.00 C ATOM 1614 C PHE A 108 7.604 -5.209 -1.285 1.00 0.00 C ATOM 1615 O PHE A 108 8.097 -4.871 -0.209 1.00 0.00 O ATOM 1616 CB PHE A 108 8.051 -7.617 -1.797 1.00 0.00 C ATOM 1617 CG PHE A 108 8.893 -8.628 -2.521 1.00 0.00 C ATOM 1618 CD1 PHE A 108 9.159 -8.486 -3.873 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.416 -9.722 -1.850 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.934 -9.414 -4.543 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.192 -10.653 -2.515 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.450 -10.500 -3.863 1.00 0.00 C ATOM 0 H PHE A 108 10.255 -6.262 -1.373 1.00 0.00 H new ATOM 0 HA PHE A 108 7.972 -6.017 -3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 108 8.219 -7.717 -0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.999 -7.837 -1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.756 -7.640 -4.410 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.215 -9.849 -0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 108 10.136 -9.290 -5.597 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.596 -11.500 -1.980 1.00 0.00 H new ATOM 0 HZ PHE A 108 11.054 -11.228 -4.384 1.00 0.00 H new ATOM 1632 N TYR A 109 6.424 -4.770 -1.709 1.00 0.00 N ATOM 1633 CA TYR A 109 5.624 -3.843 -0.918 1.00 0.00 C ATOM 1634 C TYR A 109 4.135 -4.046 -1.182 1.00 0.00 C ATOM 1635 O TYR A 109 3.740 -4.514 -2.250 1.00 0.00 O ATOM 1636 CB TYR A 109 6.017 -2.399 -1.235 1.00 0.00 C ATOM 1637 CG TYR A 109 7.385 -2.016 -0.718 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.577 -1.682 0.617 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.487 -1.990 -1.565 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.825 -1.331 1.093 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.739 -1.642 -1.097 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.903 -1.312 0.233 1.00 0.00 C ATOM 1643 OH TYR A 109 11.148 -0.965 0.703 1.00 0.00 O ATOM 0 H TYR A 109 6.000 -5.041 -2.596 1.00 0.00 H new ATOM 0 HA TYR A 109 5.818 -4.043 0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.992 -2.253 -2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.274 -1.727 -0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.736 -1.697 1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.362 -2.246 -2.607 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.956 -1.073 2.133 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.585 -1.628 -1.768 1.00 0.00 H new ATOM 0 HH TYR A 109 11.797 -1.003 -0.031 1.00 0.00 H new ATOM 1653 N TYR A 110 3.314 -3.691 -0.200 1.00 0.00 N ATOM 1654 CA TYR A 110 1.868 -3.835 -0.323 1.00 0.00 C ATOM 1655 C TYR A 110 1.144 -2.694 0.386 1.00 0.00 C ATOM 1656 O TYR A 110 1.770 -1.848 1.024 1.00 0.00 O ATOM 1657 CB TYR A 110 1.417 -5.177 0.256 1.00 0.00 C ATOM 1658 CG TYR A 110 1.729 -5.338 1.726 1.00 0.00 C ATOM 1659 CD1 TYR A 110 2.945 -5.865 2.146 1.00 0.00 C ATOM 1660 CD2 TYR A 110 0.809 -4.962 2.697 1.00 0.00 C ATOM 1661 CE1 TYR A 110 3.233 -6.014 3.488 1.00 0.00 C ATOM 1662 CE2 TYR A 110 1.090 -5.106 4.042 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.303 -5.633 4.432 1.00 0.00 C ATOM 1664 OH TYR A 110 2.588 -5.779 5.771 1.00 0.00 O ATOM 0 H TYR A 110 3.625 -3.301 0.690 1.00 0.00 H new ATOM 0 HA TYR A 110 1.614 -3.800 -1.382 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.343 -5.284 0.107 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.898 -5.983 -0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 110 3.677 -6.163 1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.143 -4.550 2.395 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.182 -6.427 3.797 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.364 -4.808 4.784 1.00 0.00 H new ATOM 0 HH TYR A 110 1.829 -5.463 6.303 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.179 -2.679 0.269 1.00 0.00 N ATOM 1675 CA PHE A 111 -0.990 -1.643 0.897 1.00 0.00 C ATOM 1676 C PHE A 111 -1.656 -2.168 2.166 1.00 0.00 C ATOM 1677 O PHE A 111 -2.020 -3.340 2.267 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.054 -1.136 -0.079 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.484 -0.583 -1.353 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.725 0.576 -1.343 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.706 -1.223 -2.562 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.200 1.087 -2.514 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.183 -0.716 -3.737 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.428 0.439 -3.713 1.00 0.00 C ATOM 0 H PHE A 111 -0.713 -3.373 -0.255 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.333 -0.817 1.168 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.734 -1.953 -0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.646 -0.363 0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.542 1.086 -0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.294 -2.128 -2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.388 1.992 -2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.365 -1.223 -4.673 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.016 0.836 -4.629 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.820 -1.281 3.158 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.443 -1.631 4.438 1.00 0.00 C ATOM 1696 C PRO A 112 -3.937 -1.901 4.301 1.00 0.00 C ATOM 1697 O PRO A 112 -4.599 -2.283 5.266 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.201 -0.391 5.302 1.00 0.00 C ATOM 1699 CG PRO A 112 -2.058 0.727 4.327 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.411 0.133 3.107 1.00 0.00 C ATOM 0 HA PRO A 112 -2.026 -2.547 4.857 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.032 -0.216 5.986 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.304 -0.502 5.912 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.029 1.158 4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.448 1.530 4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.755 0.618 2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.327 0.239 3.135 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.462 -1.701 3.098 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.879 -1.925 2.834 1.00 0.00 C ATOM 1710 C ASP A 113 -6.081 -3.164 1.967 1.00 0.00 C ATOM 1711 O ASP A 113 -6.993 -3.957 2.202 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.492 -0.702 2.150 1.00 0.00 C ATOM 1713 CG ASP A 113 -8.007 -0.714 2.193 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -8.621 -1.353 1.314 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -8.579 -0.084 3.107 1.00 0.00 O ATOM 0 H ASP A 113 -3.928 -1.384 2.289 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.380 -2.086 3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.125 0.203 2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -6.161 -0.666 1.112 1.00 0.00 H new ATOM 1720 N SER A 114 -5.226 -3.322 0.962 1.00 0.00 N ATOM 1721 CA SER A 114 -5.313 -4.462 0.056 1.00 0.00 C ATOM 1722 C SER A 114 -5.583 -5.750 0.827 1.00 0.00 C ATOM 1723 O SER A 114 -6.636 -6.368 0.677 1.00 0.00 O ATOM 1724 CB SER A 114 -4.021 -4.599 -0.752 1.00 0.00 C ATOM 1725 OG SER A 114 -4.246 -5.308 -1.957 1.00 0.00 O ATOM 0 H SER A 114 -4.465 -2.675 0.754 1.00 0.00 H new ATOM 0 HA SER A 114 -6.144 -4.288 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.623 -3.610 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.269 -5.117 -0.157 1.00 0.00 H new ATOM 0 HG SER A 114 -3.452 -5.244 -2.527 1.00 0.00 H new ATOM 1731 N GLY A 115 -4.622 -6.149 1.655 1.00 0.00 N ATOM 1732 CA GLY A 115 -4.774 -7.361 2.438 1.00 0.00 C ATOM 1733 C GLY A 115 -3.646 -8.347 2.205 1.00 0.00 C ATOM 1734 O GLY A 115 -3.887 -9.515 1.896 1.00 0.00 O ATOM 0 H GLY A 115 -3.741 -5.654 1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.815 -7.103 3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.724 -7.834 2.189 1.00 0.00 H new ATOM 1738 N PHE A 116 -2.412 -7.878 2.352 1.00 0.00 N ATOM 1739 CA PHE A 116 -1.242 -8.726 2.152 1.00 0.00 C ATOM 1740 C PHE A 116 -1.292 -9.944 3.070 1.00 0.00 C ATOM 1741 O PHE A 116 -1.969 -9.934 4.098 1.00 0.00 O ATOM 1742 CB PHE A 116 0.040 -7.931 2.409 1.00 0.00 C ATOM 1743 CG PHE A 116 1.210 -8.790 2.796 1.00 0.00 C ATOM 1744 CD1 PHE A 116 1.928 -9.479 1.832 1.00 0.00 C ATOM 1745 CD2 PHE A 116 1.592 -8.907 4.122 1.00 0.00 C ATOM 1746 CE1 PHE A 116 3.004 -10.271 2.185 1.00 0.00 C ATOM 1747 CE2 PHE A 116 2.668 -9.697 4.481 1.00 0.00 C ATOM 1748 CZ PHE A 116 3.376 -10.379 3.511 1.00 0.00 C ATOM 0 H PHE A 116 -2.196 -6.915 2.609 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.245 -9.071 1.118 1.00 0.00 H new ATOM 0 HB2 PHE A 116 0.294 -7.367 1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -0.145 -7.205 3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 116 1.644 -9.396 0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 116 1.043 -8.375 4.885 1.00 0.00 H new ATOM 0 HE1 PHE A 116 3.554 -10.805 1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 116 2.955 -9.781 5.519 1.00 0.00 H new ATOM 0 HZ PHE A 116 4.218 -10.995 3.788 1.00 0.00 H new ATOM 1758 N PHE A 117 -0.569 -10.993 2.690 1.00 0.00 N ATOM 1759 CA PHE A 117 -0.531 -12.220 3.476 1.00 0.00 C ATOM 1760 C PHE A 117 0.565 -13.155 2.972 1.00 0.00 C ATOM 1761 O PHE A 117 0.850 -13.206 1.775 1.00 0.00 O ATOM 1762 CB PHE A 117 -1.886 -12.928 3.422 1.00 0.00 C ATOM 1763 CG PHE A 117 -2.183 -13.552 2.088 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -1.535 -14.710 1.691 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.111 -12.980 1.233 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -1.807 -15.286 0.464 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -3.387 -13.551 0.005 1.00 0.00 C ATOM 1768 CZ PHE A 117 -2.735 -14.706 -0.380 1.00 0.00 C ATOM 0 H PHE A 117 -0.002 -11.017 1.843 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.310 -11.953 4.509 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.914 -13.701 4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -2.671 -12.211 3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.809 -15.168 2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.625 -12.077 1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -1.295 -16.189 0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.112 -13.094 -0.653 1.00 0.00 H new ATOM 0 HZ PHE A 117 -2.950 -15.155 -1.338 1.00 0.00 H new ATOM 1778 N CYS A 118 1.175 -13.892 3.893 1.00 0.00 N ATOM 1779 CA CYS A 118 2.241 -14.825 3.544 1.00 0.00 C ATOM 1780 C CYS A 118 1.784 -16.268 3.732 1.00 0.00 C ATOM 1781 O CYS A 118 1.020 -16.572 4.647 1.00 0.00 O ATOM 1782 CB CYS A 118 3.482 -14.555 4.395 1.00 0.00 C ATOM 1783 SG CYS A 118 3.326 -15.084 6.117 1.00 0.00 S ATOM 0 H CYS A 118 0.950 -13.862 4.887 1.00 0.00 H new ATOM 0 HA CYS A 118 2.491 -14.676 2.493 1.00 0.00 H new ATOM 0 HB2 CYS A 118 4.335 -15.064 3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 118 3.699 -13.487 4.372 1.00 0.00 H new ATOM 0 HG CYS A 118 2.311 -15.888 6.234 1.00 0.00 H new ATOM 1789 N GLU A 119 2.256 -17.151 2.859 1.00 0.00 N ATOM 1790 CA GLU A 119 1.894 -18.562 2.928 1.00 0.00 C ATOM 1791 C GLU A 119 3.128 -19.431 3.153 1.00 0.00 C ATOM 1792 O GLU A 119 3.654 -20.033 2.218 1.00 0.00 O ATOM 1793 CB GLU A 119 1.181 -18.992 1.644 1.00 0.00 C ATOM 1794 CG GLU A 119 0.306 -17.906 1.041 1.00 0.00 C ATOM 1795 CD GLU A 119 -0.590 -18.427 -0.066 1.00 0.00 C ATOM 1796 OE1 GLU A 119 -1.636 -19.030 0.251 1.00 0.00 O ATOM 1797 OE2 GLU A 119 -0.244 -18.231 -1.250 1.00 0.00 O ATOM 0 H GLU A 119 2.890 -16.915 2.096 1.00 0.00 H new ATOM 0 HA GLU A 119 1.218 -18.696 3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.926 -19.296 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.566 -19.867 1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.310 -17.464 1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.939 -17.111 0.647 1.00 0.00 H new ATOM 1804 N GLU A 120 3.584 -19.489 4.400 1.00 0.00 N ATOM 1805 CA GLU A 120 4.757 -20.283 4.748 1.00 0.00 C ATOM 1806 C GLU A 120 4.742 -21.623 4.019 1.00 0.00 C ATOM 1807 O GLU A 120 4.166 -22.597 4.501 1.00 0.00 O ATOM 1808 CB GLU A 120 4.815 -20.513 6.260 1.00 0.00 C ATOM 1809 CG GLU A 120 5.509 -19.394 7.019 1.00 0.00 C ATOM 1810 CD GLU A 120 5.066 -19.311 8.467 1.00 0.00 C ATOM 1811 OE1 GLU A 120 3.878 -19.015 8.709 1.00 0.00 O ATOM 1812 OE2 GLU A 120 5.910 -19.542 9.359 1.00 0.00 O ATOM 0 H GLU A 120 3.160 -18.996 5.186 1.00 0.00 H new ATOM 0 HA GLU A 120 5.644 -19.730 4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.800 -20.624 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.334 -21.451 6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.587 -19.548 6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.305 -18.444 6.525 1.00 0.00 H new ATOM 1819 N ASN A 121 5.380 -21.663 2.853 1.00 0.00 N ATOM 1820 CA ASN A 121 5.440 -22.883 2.056 1.00 0.00 C ATOM 1821 C ASN A 121 6.135 -24.002 2.826 1.00 0.00 C ATOM 1822 O ASN A 121 6.711 -23.773 3.889 1.00 0.00 O ATOM 1823 CB ASN A 121 6.176 -22.621 0.740 1.00 0.00 C ATOM 1824 CG ASN A 121 7.674 -22.821 0.865 1.00 0.00 C ATOM 1825 OD1 ASN A 121 8.235 -22.727 1.957 1.00 0.00 O ATOM 1826 ND2 ASN A 121 8.329 -23.100 -0.256 1.00 0.00 N ATOM 0 H ASN A 121 5.862 -20.865 2.440 1.00 0.00 H new ATOM 0 HA ASN A 121 4.419 -23.196 1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 121 5.786 -23.287 -0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 121 5.975 -21.602 0.411 1.00 0.00 H new ATOM 0 HD21 ASN A 121 9.338 -23.246 -0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 121 7.823 -23.168 -1.139 1.00 0.00 H new ATOM 1833 N SER A 122 6.076 -25.213 2.281 1.00 0.00 N ATOM 1834 CA SER A 122 6.696 -26.369 2.918 1.00 0.00 C ATOM 1835 C SER A 122 7.558 -27.139 1.922 1.00 0.00 C ATOM 1836 O SER A 122 8.765 -27.283 2.111 1.00 0.00 O ATOM 1837 CB SER A 122 5.625 -27.291 3.503 1.00 0.00 C ATOM 1838 OG SER A 122 6.137 -28.043 4.589 1.00 0.00 O ATOM 0 H SER A 122 5.605 -25.419 1.400 1.00 0.00 H new ATOM 0 HA SER A 122 7.335 -26.010 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 122 4.773 -26.698 3.837 1.00 0.00 H new ATOM 0 HB3 SER A 122 5.260 -27.966 2.729 1.00 0.00 H new ATOM 0 HG SER A 122 5.432 -28.623 4.946 1.00 0.00 H new ATOM 1844 N GLY A 123 6.928 -27.634 0.861 1.00 0.00 N ATOM 1845 CA GLY A 123 7.652 -28.384 -0.149 1.00 0.00 C ATOM 1846 C GLY A 123 7.608 -29.879 0.097 1.00 0.00 C ATOM 1847 O GLY A 123 7.009 -30.353 1.062 1.00 0.00 O ATOM 0 H GLY A 123 5.929 -27.529 0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.230 -28.168 -1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.690 -28.052 -0.169 1.00 0.00 H new ATOM 1851 N PRO A 124 8.254 -30.648 -0.791 1.00 0.00 N ATOM 1852 CA PRO A 124 8.301 -32.109 -0.688 1.00 0.00 C ATOM 1853 C PRO A 124 9.152 -32.580 0.486 1.00 0.00 C ATOM 1854 O PRO A 124 9.709 -31.770 1.226 1.00 0.00 O ATOM 1855 CB PRO A 124 8.933 -32.539 -2.014 1.00 0.00 C ATOM 1856 CG PRO A 124 9.737 -31.362 -2.449 1.00 0.00 C ATOM 1857 CD PRO A 124 8.990 -30.150 -1.966 1.00 0.00 C ATOM 0 HA PRO A 124 7.314 -32.537 -0.513 1.00 0.00 H new ATOM 0 HB2 PRO A 124 9.560 -33.421 -1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 124 8.172 -32.793 -2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 124 10.741 -31.397 -2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 124 9.849 -31.345 -3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 124 9.668 -29.339 -1.701 1.00 0.00 H new ATOM 0 HD3 PRO A 124 8.314 -29.764 -2.729 1.00 0.00 H new ATOM 1865 N SER A 125 9.249 -33.896 0.651 1.00 0.00 N ATOM 1866 CA SER A 125 10.031 -34.475 1.737 1.00 0.00 C ATOM 1867 C SER A 125 10.086 -35.995 1.617 1.00 0.00 C ATOM 1868 O SER A 125 9.261 -36.605 0.936 1.00 0.00 O ATOM 1869 CB SER A 125 9.434 -34.080 3.089 1.00 0.00 C ATOM 1870 OG SER A 125 10.380 -34.244 4.132 1.00 0.00 O ATOM 0 H SER A 125 8.796 -34.581 0.046 1.00 0.00 H new ATOM 0 HA SER A 125 11.047 -34.086 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 125 9.102 -33.042 3.054 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.554 -34.689 3.293 1.00 0.00 H new ATOM 0 HG SER A 125 9.975 -33.983 4.985 1.00 0.00 H new ATOM 1876 N SER A 126 11.064 -36.600 2.283 1.00 0.00 N ATOM 1877 CA SER A 126 11.230 -38.048 2.249 1.00 0.00 C ATOM 1878 C SER A 126 10.670 -38.689 3.515 1.00 0.00 C ATOM 1879 O SER A 126 11.347 -38.763 4.539 1.00 0.00 O ATOM 1880 CB SER A 126 12.708 -38.409 2.091 1.00 0.00 C ATOM 1881 OG SER A 126 13.491 -37.811 3.110 1.00 0.00 O ATOM 0 H SER A 126 11.754 -36.110 2.853 1.00 0.00 H new ATOM 0 HA SER A 126 10.676 -38.433 1.393 1.00 0.00 H new ATOM 0 HB2 SER A 126 12.827 -39.492 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 126 13.064 -38.080 1.115 1.00 0.00 H new ATOM 0 HG SER A 126 13.033 -37.904 3.971 1.00 0.00 H new ATOM 1887 N GLY A 127 9.426 -39.153 3.435 1.00 0.00 N ATOM 1888 CA GLY A 127 8.795 -39.782 4.581 1.00 0.00 C ATOM 1889 C GLY A 127 7.295 -39.926 4.410 1.00 0.00 C ATOM 1890 O GLY A 127 6.557 -38.945 4.500 1.00 0.00 O ATOM 0 H GLY A 127 8.845 -39.105 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 127 9.236 -40.766 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 127 9.001 -39.193 5.474 1.00 0.00 H new TER 1894 GLY A 127