USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1076 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 96 LYS NZ :NH3+ -164:sc= -2.81! (180deg=-5.3!) USER MOD Set 1.2: A 104 MET CE :methyl 134:sc= -1.66 (180deg=-4.2!) USER MOD Set 2.1: A 81 ASN : amide:sc= -1.53 K(o=-2.1,f=-3.1) USER MOD Set 2.2: A 85 GLN : amide:sc= -0.532 K(o=-2.1,f=-3.4!) USER MOD Set 3.1: A 71 THR OG1 : rot 139:sc= -0.519 USER MOD Set 3.2: A 73 HIS :FLIP no HE2:sc= -10.9! C(o=-39!,f=-37!) USER MOD Set 3.3: A 75 HIS : no HE2:sc= -25.2! C(o=-37!,f=-46!) USER MOD Set 4.1: A 60 ASN :FLIP amide:sc= -5.13! C(o=-21!,f=-15!) USER MOD Set 4.2: A 65 ASN :FLIP amide:sc= -9.4! C(o=-18!,f=-15!) USER MOD Set 5.1: A 57 SER OG : rot -80:sc= -2.65! USER MOD Set 5.2: A 59 HIS : no HE2:sc= -8.48! C(o=-11!,f=-21!) USER MOD Set 6.1: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 50 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000308) USER MOD Set 6.3: A 83 TYR OH : rot -147:sc= -4.03! USER MOD Set 7.1: A 35 THR OG1 : rot -69:sc= -1.88! USER MOD Set 7.2: A 36 THR OG1 : rot 120:sc= -2.65! USER MOD Set 7.3: A 39 LYS NZ :NH3+ -127:sc= -1.76 (180deg=-6.3!) USER MOD Set 7.4: A 91 SER OG : rot 120:sc= -3.29! USER MOD Set 8.1: A 34 TYR OH : rot 120:sc= -1.33 USER MOD Set 8.2: A 64 HIS :FLIP no HE2:sc= -14.4! C(o=-16!,f=-16!) 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -161:sc=-0.00247 (180deg=-0.0996) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0725 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -132:sc= 0.104 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -0.936 F(o=-1.9!,f=-0.94) USER MOD Single : A 24 SER OG : rot 180:sc= -0.484 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 37:sc= 0.0785 USER MOD Single : A 30 CYS SG : rot 109:sc= -5.3! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 149:sc= 0.0305 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 175:sc= 0 (180deg=-0.0256) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 175:sc= -0.544 USER MOD Single : A 61 SER OG : rot 160:sc= -0.637 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -4.28! C(o=-5.5!,f=-4.3!) USER MOD Single : A 78 SER OG : rot 133:sc= 1.69 USER MOD Single : A 82 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.1!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -89:sc= 0.593 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.221 USER MOD Single : A 95 CYS SG : rot -90:sc= -2.78! USER MOD Single : A 99 ASN : amide:sc= -1.37 K(o=-1.4,f=-5.7!) USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= -0.145 (180deg=-0.508) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -64:sc= 0.898 USER MOD Single : A 109 THR OG1 : rot -28:sc= 1.23 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= 0.405 K(o=0.41,f=-3.5!) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 SER OG : rot 180:sc= -0.0669 USER MOD Single : A 134 SER OG : rot -140:sc= -0.396 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 121.544 -1.088 19.858 1.00 0.00 N ATOM 2 CA GLY A 1 120.126 -0.521 19.796 1.00 0.00 C ATOM 3 C GLY A 1 119.058 -1.132 20.635 1.00 0.00 C ATOM 4 O GLY A 1 117.933 -1.292 20.207 1.00 0.00 O ATOM 0 H1 GLY A 1 122.161 -0.551 19.216 1.00 0.00 H new ATOM 0 H2 GLY A 1 121.906 -1.012 20.830 1.00 0.00 H new ATOM 0 H3 GLY A 1 121.531 -2.087 19.570 1.00 0.00 H new ATOM 0 HA2 GLY A 1 120.184 0.535 20.058 1.00 0.00 H new ATOM 0 HA3 GLY A 1 119.797 -0.574 18.758 1.00 0.00 H new ATOM 10 N SER A 2 119.377 -1.491 21.850 1.00 0.00 N ATOM 11 CA SER A 2 118.353 -2.108 22.738 1.00 0.00 C ATOM 12 C SER A 2 117.743 -3.328 22.042 1.00 0.00 C ATOM 13 O SER A 2 117.941 -3.545 20.864 1.00 0.00 O ATOM 14 CB SER A 2 117.254 -1.087 23.034 1.00 0.00 C ATOM 15 OG SER A 2 116.761 -1.297 24.351 1.00 0.00 O ATOM 0 H SER A 2 120.303 -1.383 22.265 1.00 0.00 H new ATOM 0 HA SER A 2 118.821 -2.419 23.672 1.00 0.00 H new ATOM 0 HB2 SER A 2 117.646 -0.075 22.937 1.00 0.00 H new ATOM 0 HB3 SER A 2 116.445 -1.186 22.310 1.00 0.00 H new ATOM 0 HG SER A 2 116.057 -0.643 24.545 1.00 0.00 H new ATOM 21 N LYS A 3 117.005 -4.126 22.763 1.00 0.00 N ATOM 22 CA LYS A 3 116.385 -5.331 22.141 1.00 0.00 C ATOM 23 C LYS A 3 115.281 -4.896 21.176 1.00 0.00 C ATOM 24 O LYS A 3 114.172 -4.605 21.577 1.00 0.00 O ATOM 25 CB LYS A 3 115.785 -6.218 23.234 1.00 0.00 C ATOM 26 CG LYS A 3 116.591 -7.515 23.339 1.00 0.00 C ATOM 27 CD LYS A 3 116.107 -8.504 22.278 1.00 0.00 C ATOM 28 CE LYS A 3 115.587 -9.773 22.959 1.00 0.00 C ATOM 29 NZ LYS A 3 116.653 -10.814 22.950 1.00 0.00 N ATOM 0 H LYS A 3 116.804 -3.997 23.755 1.00 0.00 H new ATOM 0 HA LYS A 3 117.146 -5.890 21.596 1.00 0.00 H new ATOM 0 HB2 LYS A 3 115.795 -5.693 24.189 1.00 0.00 H new ATOM 0 HB3 LYS A 3 114.743 -6.442 23.004 1.00 0.00 H new ATOM 0 HG2 LYS A 3 117.652 -7.308 23.201 1.00 0.00 H new ATOM 0 HG3 LYS A 3 116.477 -7.947 24.333 1.00 0.00 H new ATOM 0 HD2 LYS A 3 115.318 -8.052 21.678 1.00 0.00 H new ATOM 0 HD3 LYS A 3 116.922 -8.752 21.598 1.00 0.00 H new ATOM 0 HE2 LYS A 3 115.288 -9.552 23.984 1.00 0.00 H new ATOM 0 HE3 LYS A 3 114.701 -10.140 22.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 116.300 -11.676 23.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 116.918 -11.031 21.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 117.486 -10.462 23.463 1.00 0.00 H new ATOM 43 N VAL A 4 115.578 -4.847 19.905 1.00 0.00 N ATOM 44 CA VAL A 4 114.550 -4.431 18.913 1.00 0.00 C ATOM 45 C VAL A 4 113.215 -5.100 19.248 1.00 0.00 C ATOM 46 O VAL A 4 113.158 -6.274 19.557 1.00 0.00 O ATOM 47 CB VAL A 4 114.995 -4.854 17.511 1.00 0.00 C ATOM 48 CG1 VAL A 4 114.904 -6.375 17.383 1.00 0.00 C ATOM 49 CG2 VAL A 4 114.086 -4.201 16.468 1.00 0.00 C ATOM 0 H VAL A 4 116.491 -5.078 19.512 1.00 0.00 H new ATOM 0 HA VAL A 4 114.431 -3.348 18.946 1.00 0.00 H new ATOM 0 HB VAL A 4 116.025 -4.536 17.347 1.00 0.00 H new ATOM 0 HG11 VAL A 4 115.221 -6.676 16.384 1.00 0.00 H new ATOM 0 HG12 VAL A 4 115.551 -6.842 18.125 1.00 0.00 H new ATOM 0 HG13 VAL A 4 113.875 -6.693 17.548 1.00 0.00 H new ATOM 0 HG21 VAL A 4 114.403 -4.502 15.470 1.00 0.00 H new ATOM 0 HG22 VAL A 4 113.056 -4.518 16.633 1.00 0.00 H new ATOM 0 HG23 VAL A 4 114.150 -3.117 16.557 1.00 0.00 H new ATOM 59 N GLU A 5 112.140 -4.363 19.191 1.00 0.00 N ATOM 60 CA GLU A 5 110.812 -4.959 19.507 1.00 0.00 C ATOM 61 C GLU A 5 109.911 -4.887 18.272 1.00 0.00 C ATOM 62 O GLU A 5 110.317 -4.427 17.223 1.00 0.00 O ATOM 63 CB GLU A 5 110.165 -4.184 20.657 1.00 0.00 C ATOM 64 CG GLU A 5 111.185 -3.989 21.780 1.00 0.00 C ATOM 65 CD GLU A 5 111.721 -2.557 21.739 1.00 0.00 C ATOM 66 OE1 GLU A 5 110.968 -1.675 21.359 1.00 0.00 O ATOM 67 OE2 GLU A 5 112.874 -2.366 22.088 1.00 0.00 O ATOM 0 H GLU A 5 112.124 -3.375 18.939 1.00 0.00 H new ATOM 0 HA GLU A 5 110.943 -6.001 19.799 1.00 0.00 H new ATOM 0 HB2 GLU A 5 109.809 -3.217 20.303 1.00 0.00 H new ATOM 0 HB3 GLU A 5 109.296 -4.726 21.031 1.00 0.00 H new ATOM 0 HG2 GLU A 5 110.721 -4.187 22.746 1.00 0.00 H new ATOM 0 HG3 GLU A 5 112.005 -4.699 21.669 1.00 0.00 H new ATOM 74 N ASP A 6 108.691 -5.333 18.390 1.00 0.00 N ATOM 75 CA ASP A 6 107.765 -5.286 17.226 1.00 0.00 C ATOM 76 C ASP A 6 107.733 -3.860 16.661 1.00 0.00 C ATOM 77 O ASP A 6 107.183 -2.970 17.278 1.00 0.00 O ATOM 78 CB ASP A 6 106.362 -5.682 17.687 1.00 0.00 C ATOM 79 CG ASP A 6 106.164 -7.186 17.491 1.00 0.00 C ATOM 80 OD1 ASP A 6 106.469 -7.928 18.411 1.00 0.00 O ATOM 81 OD2 ASP A 6 105.708 -7.570 16.427 1.00 0.00 O ATOM 0 H ASP A 6 108.296 -5.728 19.243 1.00 0.00 H new ATOM 0 HA ASP A 6 108.106 -5.976 16.454 1.00 0.00 H new ATOM 0 HB2 ASP A 6 106.226 -5.421 18.736 1.00 0.00 H new ATOM 0 HB3 ASP A 6 105.612 -5.129 17.121 1.00 0.00 H new ATOM 86 N PRO A 7 108.324 -3.682 15.504 1.00 0.00 N ATOM 87 CA PRO A 7 108.374 -2.369 14.839 1.00 0.00 C ATOM 88 C PRO A 7 107.033 -2.063 14.170 1.00 0.00 C ATOM 89 O PRO A 7 106.582 -2.781 13.300 1.00 0.00 O ATOM 90 CB PRO A 7 109.482 -2.537 13.794 1.00 0.00 C ATOM 91 CG PRO A 7 109.605 -4.055 13.533 1.00 0.00 C ATOM 92 CD PRO A 7 108.990 -4.765 14.752 1.00 0.00 C ATOM 0 HA PRO A 7 108.567 -1.545 15.526 1.00 0.00 H new ATOM 0 HB2 PRO A 7 109.235 -2.003 12.876 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.424 -2.127 14.157 1.00 0.00 H new ATOM 0 HG2 PRO A 7 109.082 -4.334 12.618 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.649 -4.342 13.404 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.280 -5.534 14.449 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.754 -5.256 15.354 1.00 0.00 H new ATOM 100 N LYS A 8 106.391 -1.004 14.575 1.00 0.00 N ATOM 101 CA LYS A 8 105.077 -0.655 13.969 1.00 0.00 C ATOM 102 C LYS A 8 105.239 0.559 13.054 1.00 0.00 C ATOM 103 O LYS A 8 104.273 1.200 12.687 1.00 0.00 O ATOM 104 CB LYS A 8 104.077 -0.326 15.079 1.00 0.00 C ATOM 105 CG LYS A 8 102.783 -1.112 14.856 1.00 0.00 C ATOM 106 CD LYS A 8 101.585 -0.170 14.989 1.00 0.00 C ATOM 107 CE LYS A 8 100.718 -0.612 16.169 1.00 0.00 C ATOM 108 NZ LYS A 8 100.049 -1.903 15.839 1.00 0.00 N ATOM 0 H LYS A 8 106.719 -0.365 15.299 1.00 0.00 H new ATOM 0 HA LYS A 8 104.711 -1.500 13.386 1.00 0.00 H new ATOM 0 HB2 LYS A 8 104.503 -0.575 16.051 1.00 0.00 H new ATOM 0 HB3 LYS A 8 103.867 0.744 15.088 1.00 0.00 H new ATOM 0 HG2 LYS A 8 102.790 -1.572 13.868 1.00 0.00 H new ATOM 0 HG3 LYS A 8 102.706 -1.920 15.583 1.00 0.00 H new ATOM 0 HD2 LYS A 8 101.928 0.853 15.139 1.00 0.00 H new ATOM 0 HD3 LYS A 8 100.999 -0.178 14.070 1.00 0.00 H new ATOM 0 HE2 LYS A 8 101.332 -0.726 17.062 1.00 0.00 H new ATOM 0 HE3 LYS A 8 99.971 0.150 16.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 99.235 -2.044 16.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 99.721 -1.882 14.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 100.723 -2.685 15.963 1.00 0.00 H new ATOM 122 N ASP A 9 106.446 0.889 12.681 1.00 0.00 N ATOM 123 CA ASP A 9 106.642 2.069 11.791 1.00 0.00 C ATOM 124 C ASP A 9 108.039 2.040 11.166 1.00 0.00 C ATOM 125 O ASP A 9 108.813 1.128 11.383 1.00 0.00 O ATOM 126 CB ASP A 9 106.477 3.352 12.607 1.00 0.00 C ATOM 127 CG ASP A 9 107.302 3.250 13.892 1.00 0.00 C ATOM 128 OD1 ASP A 9 108.120 2.349 13.977 1.00 0.00 O ATOM 129 OD2 ASP A 9 107.101 4.073 14.770 1.00 0.00 O ATOM 0 H ASP A 9 107.298 0.397 12.951 1.00 0.00 H new ATOM 0 HA ASP A 9 105.899 2.038 10.994 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.801 4.212 12.021 1.00 0.00 H new ATOM 0 HB3 ASP A 9 105.426 3.509 12.849 1.00 0.00 H new ATOM 134 N PHE A 10 108.362 3.040 10.389 1.00 0.00 N ATOM 135 CA PHE A 10 109.702 3.090 9.737 1.00 0.00 C ATOM 136 C PHE A 10 110.732 3.644 10.726 1.00 0.00 C ATOM 137 O PHE A 10 110.374 4.209 11.740 1.00 0.00 O ATOM 138 CB PHE A 10 109.632 4.007 8.513 1.00 0.00 C ATOM 139 CG PHE A 10 109.159 3.217 7.314 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.867 2.683 7.296 1.00 0.00 C ATOM 141 CD2 PHE A 10 110.013 3.022 6.221 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.426 1.954 6.185 1.00 0.00 C ATOM 143 CE2 PHE A 10 109.573 2.293 5.110 1.00 0.00 C ATOM 144 CZ PHE A 10 108.279 1.758 5.093 1.00 0.00 C ATOM 0 H PHE A 10 107.751 3.829 10.177 1.00 0.00 H new ATOM 0 HA PHE A 10 109.996 2.086 9.430 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.952 4.837 8.706 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.613 4.439 8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.209 2.833 8.139 1.00 0.00 H new ATOM 0 HD2 PHE A 10 111.011 3.434 6.235 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.427 1.543 6.171 1.00 0.00 H new ATOM 0 HE2 PHE A 10 110.231 2.143 4.267 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.939 1.194 4.237 1.00 0.00 H new ATOM 154 N PRO A 11 111.987 3.467 10.397 1.00 0.00 N ATOM 155 CA PRO A 11 113.101 3.943 11.233 1.00 0.00 C ATOM 156 C PRO A 11 113.300 5.450 11.048 1.00 0.00 C ATOM 157 O PRO A 11 112.933 6.014 10.037 1.00 0.00 O ATOM 158 CB PRO A 11 114.307 3.162 10.705 1.00 0.00 C ATOM 159 CG PRO A 11 113.946 2.724 9.266 1.00 0.00 C ATOM 160 CD PRO A 11 112.410 2.776 9.160 1.00 0.00 C ATOM 0 HA PRO A 11 112.935 3.788 12.299 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.204 3.782 10.709 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.515 2.296 11.334 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.407 3.386 8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.314 1.718 9.064 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.090 3.319 8.271 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.981 1.776 9.095 1.00 0.00 H new ATOM 168 N SER A 12 113.875 6.105 12.019 1.00 0.00 N ATOM 169 CA SER A 12 114.092 7.575 11.899 1.00 0.00 C ATOM 170 C SER A 12 115.095 7.859 10.782 1.00 0.00 C ATOM 171 O SER A 12 115.016 8.864 10.104 1.00 0.00 O ATOM 172 CB SER A 12 114.630 8.118 13.222 1.00 0.00 C ATOM 173 OG SER A 12 115.427 7.123 13.849 1.00 0.00 O ATOM 0 H SER A 12 114.204 5.687 12.889 1.00 0.00 H new ATOM 0 HA SER A 12 113.146 8.063 11.663 1.00 0.00 H new ATOM 0 HB2 SER A 12 115.222 9.016 13.046 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.804 8.403 13.874 1.00 0.00 H new ATOM 0 HG SER A 12 115.775 7.469 14.697 1.00 0.00 H new ATOM 179 N GLU A 13 116.040 6.982 10.581 1.00 0.00 N ATOM 180 CA GLU A 13 117.046 7.208 9.505 1.00 0.00 C ATOM 181 C GLU A 13 116.333 7.305 8.154 1.00 0.00 C ATOM 182 O GLU A 13 116.898 7.749 7.174 1.00 0.00 O ATOM 183 CB GLU A 13 118.036 6.042 9.476 1.00 0.00 C ATOM 184 CG GLU A 13 119.253 6.426 8.633 1.00 0.00 C ATOM 185 CD GLU A 13 119.906 7.680 9.218 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.828 7.857 10.423 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.471 8.443 8.452 1.00 0.00 O ATOM 0 H GLU A 13 116.159 6.121 11.114 1.00 0.00 H new ATOM 0 HA GLU A 13 117.584 8.135 9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 13 118.347 5.790 10.490 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.558 5.155 9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.970 5.605 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.951 6.608 7.602 1.00 0.00 H new ATOM 194 N LEU A 14 115.097 6.893 8.095 1.00 0.00 N ATOM 195 CA LEU A 14 114.350 6.964 6.809 1.00 0.00 C ATOM 196 C LEU A 14 113.223 7.989 6.930 1.00 0.00 C ATOM 197 O LEU A 14 112.704 8.476 5.945 1.00 0.00 O ATOM 198 CB LEU A 14 113.759 5.589 6.488 1.00 0.00 C ATOM 199 CG LEU A 14 114.481 4.989 5.279 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.991 5.180 5.429 1.00 0.00 C ATOM 201 CD2 LEU A 14 114.165 3.494 5.193 1.00 0.00 C ATOM 0 H LEU A 14 114.572 6.510 8.882 1.00 0.00 H new ATOM 0 HA LEU A 14 115.028 7.264 6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.860 4.929 7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.693 5.680 6.279 1.00 0.00 H new ATOM 0 HG LEU A 14 114.144 5.491 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 14 116.500 4.751 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 14 116.219 6.244 5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 14 116.333 4.681 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 14 114.677 3.063 4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.503 2.998 6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 14 113.090 3.355 5.082 1.00 0.00 H new ATOM 213 N LEU A 15 112.846 8.330 8.133 1.00 0.00 N ATOM 214 CA LEU A 15 111.759 9.331 8.316 1.00 0.00 C ATOM 215 C LEU A 15 112.258 10.708 7.869 1.00 0.00 C ATOM 216 O LEU A 15 111.510 11.665 7.829 1.00 0.00 O ATOM 217 CB LEU A 15 111.358 9.387 9.794 1.00 0.00 C ATOM 218 CG LEU A 15 110.575 8.123 10.162 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.412 8.046 11.682 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.192 8.170 9.506 1.00 0.00 C ATOM 0 H LEU A 15 113.244 7.958 8.995 1.00 0.00 H new ATOM 0 HA LEU A 15 110.894 9.044 7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.247 9.471 10.419 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.750 10.272 9.983 1.00 0.00 H new ATOM 0 HG LEU A 15 111.118 7.246 9.809 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.855 7.146 11.943 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.395 8.013 12.152 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.870 8.924 12.035 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.634 7.271 9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.651 9.048 9.860 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.305 8.225 8.423 1.00 0.00 H new ATOM 232 N SER A 16 113.516 10.818 7.534 1.00 0.00 N ATOM 233 CA SER A 16 114.060 12.132 7.090 1.00 0.00 C ATOM 234 C SER A 16 113.407 12.535 5.767 1.00 0.00 C ATOM 235 O SER A 16 113.413 13.691 5.389 1.00 0.00 O ATOM 236 CB SER A 16 115.573 12.018 6.898 1.00 0.00 C ATOM 237 OG SER A 16 116.183 11.704 8.142 1.00 0.00 O ATOM 0 H SER A 16 114.190 10.053 7.549 1.00 0.00 H new ATOM 0 HA SER A 16 113.845 12.888 7.845 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.800 11.246 6.163 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.973 12.955 6.510 1.00 0.00 H new ATOM 0 HG SER A 16 117.153 11.629 8.021 1.00 0.00 H new ATOM 243 N PHE A 17 112.841 11.596 5.061 1.00 0.00 N ATOM 244 CA PHE A 17 112.185 11.934 3.764 1.00 0.00 C ATOM 245 C PHE A 17 111.081 10.920 3.457 1.00 0.00 C ATOM 246 O PHE A 17 111.265 10.003 2.683 1.00 0.00 O ATOM 247 CB PHE A 17 113.221 11.923 2.633 1.00 0.00 C ATOM 248 CG PHE A 17 114.218 10.801 2.834 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.863 9.644 3.543 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.507 10.921 2.299 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.794 8.616 3.715 1.00 0.00 C ATOM 252 CE2 PHE A 17 116.437 9.892 2.471 1.00 0.00 C ATOM 253 CZ PHE A 17 116.081 8.739 3.181 1.00 0.00 C ATOM 0 H PHE A 17 112.804 10.611 5.324 1.00 0.00 H new ATOM 0 HA PHE A 17 111.748 12.930 3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.718 11.802 1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.743 12.879 2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.870 9.548 3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.783 11.811 1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.519 7.725 4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 17 117.430 9.986 2.056 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.800 7.945 3.316 1.00 0.00 H new ATOM 263 N LEU A 18 109.934 11.080 4.057 1.00 0.00 N ATOM 264 CA LEU A 18 108.819 10.127 3.796 1.00 0.00 C ATOM 265 C LEU A 18 107.510 10.903 3.639 1.00 0.00 C ATOM 266 O LEU A 18 107.509 12.108 3.478 1.00 0.00 O ATOM 267 CB LEU A 18 108.699 9.153 4.970 1.00 0.00 C ATOM 268 CG LEU A 18 109.385 7.834 4.609 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.552 6.982 5.867 1.00 0.00 C ATOM 270 CD2 LEU A 18 108.526 7.079 3.590 1.00 0.00 C ATOM 0 H LEU A 18 109.721 11.829 4.716 1.00 0.00 H new ATOM 0 HA LEU A 18 109.021 9.571 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 18 109.158 9.582 5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.649 8.977 5.205 1.00 0.00 H new ATOM 0 HG LEU A 18 110.366 8.039 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 18 110.041 6.043 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 18 110.162 7.520 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 18 108.573 6.774 6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 18 109.012 6.138 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 18 107.546 6.874 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 18 108.408 7.686 2.693 1.00 0.00 H new ATOM 282 N SER A 19 106.397 10.224 3.683 1.00 0.00 N ATOM 283 CA SER A 19 105.090 10.923 3.536 1.00 0.00 C ATOM 284 C SER A 19 104.481 11.161 4.918 1.00 0.00 C ATOM 285 O SER A 19 103.946 12.215 5.199 1.00 0.00 O ATOM 286 CB SER A 19 104.143 10.061 2.701 1.00 0.00 C ATOM 287 OG SER A 19 102.802 10.327 3.089 1.00 0.00 O ATOM 0 H SER A 19 106.336 9.214 3.815 1.00 0.00 H new ATOM 0 HA SER A 19 105.243 11.880 3.038 1.00 0.00 H new ATOM 0 HB2 SER A 19 104.277 10.276 1.641 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.373 9.005 2.844 1.00 0.00 H new ATOM 0 HG SER A 19 102.328 9.481 3.228 1.00 0.00 H new ATOM 293 N HIS A 20 104.556 10.187 5.786 1.00 0.00 N ATOM 294 CA HIS A 20 103.980 10.358 7.149 1.00 0.00 C ATOM 295 C HIS A 20 102.457 10.456 7.049 1.00 0.00 C ATOM 296 O HIS A 20 101.804 11.022 7.904 1.00 0.00 O ATOM 297 CB HIS A 20 104.533 11.638 7.781 1.00 0.00 C ATOM 298 CG HIS A 20 106.026 11.674 7.614 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.885 12.678 7.244 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 106.820 10.561 7.843 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 108.192 12.200 7.241 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 108.096 10.919 7.610 1.00 0.00 N flip ATOM 0 H HIS A 20 104.991 9.282 5.609 1.00 0.00 H new ATOM 0 HA HIS A 20 104.250 9.502 7.768 1.00 0.00 H new ATOM 0 HB2 HIS A 20 104.083 12.512 7.311 1.00 0.00 H new ATOM 0 HB3 HIS A 20 104.274 11.675 8.839 1.00 0.00 H new ATOM 0 HD1 HIS A 20 106.608 13.631 7.007 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.477 9.585 8.152 1.00 0.00 H new ATOM 0 HE1 HIS A 20 109.090 12.746 6.994 1.00 0.00 H new ATOM 310 N ALA A 21 101.884 9.908 6.013 1.00 0.00 N ATOM 311 CA ALA A 21 100.404 9.969 5.861 1.00 0.00 C ATOM 312 C ALA A 21 99.937 8.821 4.965 1.00 0.00 C ATOM 313 O ALA A 21 100.317 8.724 3.815 1.00 0.00 O ATOM 314 CB ALA A 21 100.012 11.305 5.224 1.00 0.00 C ATOM 0 H ALA A 21 102.377 9.421 5.265 1.00 0.00 H new ATOM 0 HA ALA A 21 99.933 9.881 6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.929 11.351 5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 21 100.346 12.124 5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 21 100.482 11.393 4.244 1.00 0.00 H new ATOM 320 N VAL A 22 99.116 7.949 5.483 1.00 0.00 N ATOM 321 CA VAL A 22 98.626 6.806 4.662 1.00 0.00 C ATOM 322 C VAL A 22 97.419 7.250 3.832 1.00 0.00 C ATOM 323 O VAL A 22 96.910 6.507 3.017 1.00 0.00 O ATOM 324 CB VAL A 22 98.212 5.657 5.583 1.00 0.00 C ATOM 325 CG1 VAL A 22 98.309 4.332 4.825 1.00 0.00 C ATOM 326 CG2 VAL A 22 99.143 5.620 6.797 1.00 0.00 C ATOM 0 H VAL A 22 98.763 7.979 6.440 1.00 0.00 H new ATOM 0 HA VAL A 22 99.422 6.473 3.996 1.00 0.00 H new ATOM 0 HB VAL A 22 97.185 5.809 5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 22 98.014 3.514 5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 22 97.647 4.359 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 22 99.335 4.177 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 22 98.850 4.802 7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 22 100.170 5.468 6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 22 99.073 6.564 7.338 1.00 0.00 H new ATOM 336 N PHE A 23 96.955 8.454 4.033 1.00 0.00 N ATOM 337 CA PHE A 23 95.779 8.936 3.255 1.00 0.00 C ATOM 338 C PHE A 23 96.138 10.236 2.532 1.00 0.00 C ATOM 339 O PHE A 23 96.624 10.224 1.418 1.00 0.00 O ATOM 340 CB PHE A 23 94.610 9.189 4.207 1.00 0.00 C ATOM 341 CG PHE A 23 93.718 7.971 4.244 1.00 0.00 C ATOM 342 CD1 PHE A 23 94.186 6.778 4.808 1.00 0.00 C ATOM 343 CD2 PHE A 23 92.423 8.035 3.716 1.00 0.00 C ATOM 344 CE1 PHE A 23 93.358 5.650 4.844 1.00 0.00 C ATOM 345 CE2 PHE A 23 91.595 6.908 3.751 1.00 0.00 C ATOM 346 CZ PHE A 23 92.063 5.714 4.315 1.00 0.00 C ATOM 0 H PHE A 23 97.339 9.123 4.701 1.00 0.00 H new ATOM 0 HA PHE A 23 95.496 8.181 2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 23 94.983 9.410 5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 23 94.042 10.059 3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 23 95.185 6.728 5.215 1.00 0.00 H new ATOM 0 HD2 PHE A 23 92.063 8.956 3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 23 93.718 4.730 5.280 1.00 0.00 H new ATOM 0 HE2 PHE A 23 90.596 6.958 3.344 1.00 0.00 H new ATOM 0 HZ PHE A 23 91.425 4.843 4.342 1.00 0.00 H new ATOM 356 N SER A 24 95.898 11.359 3.153 1.00 0.00 N ATOM 357 CA SER A 24 96.221 12.659 2.501 1.00 0.00 C ATOM 358 C SER A 24 95.400 12.805 1.218 1.00 0.00 C ATOM 359 O SER A 24 95.001 11.831 0.610 1.00 0.00 O ATOM 360 CB SER A 24 97.711 12.705 2.160 1.00 0.00 C ATOM 361 OG SER A 24 98.457 12.934 3.349 1.00 0.00 O ATOM 0 H SER A 24 95.491 11.432 4.086 1.00 0.00 H new ATOM 0 HA SER A 24 95.980 13.475 3.182 1.00 0.00 H new ATOM 0 HB2 SER A 24 98.019 11.767 1.698 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.906 13.496 1.436 1.00 0.00 H new ATOM 0 HG SER A 24 99.413 12.962 3.135 1.00 0.00 H new ATOM 367 N ASN A 25 95.144 14.015 0.800 1.00 0.00 N ATOM 368 CA ASN A 25 94.349 14.224 -0.443 1.00 0.00 C ATOM 369 C ASN A 25 95.252 14.032 -1.664 1.00 0.00 C ATOM 370 O ASN A 25 94.832 13.522 -2.683 1.00 0.00 O ATOM 371 CB ASN A 25 93.778 15.643 -0.450 1.00 0.00 C ATOM 372 CG ASN A 25 92.391 15.633 -1.095 1.00 0.00 C ATOM 373 OD1 ASN A 25 91.390 15.699 -0.410 1.00 0.00 O ATOM 374 ND2 ASN A 25 92.289 15.553 -2.393 1.00 0.00 N ATOM 0 H ASN A 25 95.452 14.868 1.266 1.00 0.00 H new ATOM 0 HA ASN A 25 93.532 13.503 -0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.714 16.025 0.569 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.441 16.310 -1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 25 91.369 15.546 -2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 25 93.130 15.498 -2.968 1.00 0.00 H new ATOM 381 N ARG A 26 96.489 14.436 -1.567 1.00 0.00 N ATOM 382 CA ARG A 26 97.416 14.275 -2.722 1.00 0.00 C ATOM 383 C ARG A 26 97.513 12.794 -3.093 1.00 0.00 C ATOM 384 O ARG A 26 97.298 11.923 -2.274 1.00 0.00 O ATOM 385 CB ARG A 26 98.803 14.797 -2.339 1.00 0.00 C ATOM 386 CG ARG A 26 98.872 16.303 -2.600 1.00 0.00 C ATOM 387 CD ARG A 26 100.125 16.880 -1.939 1.00 0.00 C ATOM 388 NE ARG A 26 100.148 16.498 -0.499 1.00 0.00 N ATOM 389 CZ ARG A 26 99.830 17.374 0.413 1.00 0.00 C ATOM 390 NH1 ARG A 26 98.580 17.711 0.586 1.00 0.00 N ATOM 391 NH2 ARG A 26 100.759 17.914 1.154 1.00 0.00 N ATOM 0 H ARG A 26 96.897 14.870 -0.739 1.00 0.00 H new ATOM 0 HA ARG A 26 97.038 14.840 -3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 26 99.004 14.590 -1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 26 99.570 14.281 -2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 26 98.892 16.496 -3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 26 97.982 16.792 -2.205 1.00 0.00 H new ATOM 0 HD2 ARG A 26 101.018 16.506 -2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 26 100.135 17.965 -2.038 1.00 0.00 H new ATOM 0 HE ARG A 26 100.412 15.551 -0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 26 97.853 17.289 0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 26 98.331 18.396 1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 26 101.735 17.651 1.020 1.00 0.00 H new ATOM 0 HH22 ARG A 26 100.509 18.599 1.867 1.00 0.00 H new ATOM 405 N THR A 27 97.834 12.500 -4.323 1.00 0.00 N ATOM 406 CA THR A 27 97.943 11.075 -4.744 1.00 0.00 C ATOM 407 C THR A 27 99.410 10.730 -5.009 1.00 0.00 C ATOM 408 O THR A 27 100.087 11.398 -5.766 1.00 0.00 O ATOM 409 CB THR A 27 97.128 10.856 -6.022 1.00 0.00 C ATOM 410 OG1 THR A 27 97.396 11.910 -6.937 1.00 0.00 O ATOM 411 CG2 THR A 27 95.637 10.840 -5.682 1.00 0.00 C ATOM 0 H THR A 27 98.025 13.185 -5.054 1.00 0.00 H new ATOM 0 HA THR A 27 97.557 10.433 -3.952 1.00 0.00 H new ATOM 0 HB THR A 27 97.405 9.903 -6.472 1.00 0.00 H new ATOM 0 HG1 THR A 27 98.342 12.160 -6.880 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.058 10.684 -6.592 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.433 10.032 -4.979 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.356 11.792 -5.232 1.00 0.00 H new ATOM 419 N LEU A 28 99.906 9.692 -4.393 1.00 0.00 N ATOM 420 CA LEU A 28 101.329 9.306 -4.612 1.00 0.00 C ATOM 421 C LEU A 28 101.389 7.923 -5.266 1.00 0.00 C ATOM 422 O LEU A 28 100.576 7.062 -4.995 1.00 0.00 O ATOM 423 CB LEU A 28 102.060 9.259 -3.269 1.00 0.00 C ATOM 424 CG LEU A 28 101.527 10.360 -2.353 1.00 0.00 C ATOM 425 CD1 LEU A 28 100.534 9.759 -1.356 1.00 0.00 C ATOM 426 CD2 LEU A 28 102.693 10.993 -1.589 1.00 0.00 C ATOM 0 H LEU A 28 99.388 9.095 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 28 101.805 10.040 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 28 101.920 8.284 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 28 103.131 9.388 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 28 101.026 11.120 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 28 100.154 10.544 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 28 99.704 9.305 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 28 101.035 8.999 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 28 102.315 11.779 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 28 103.192 10.231 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.403 11.420 -2.297 1.00 0.00 H new ATOM 438 N ALA A 29 102.351 7.702 -6.119 1.00 0.00 N ATOM 439 CA ALA A 29 102.468 6.374 -6.782 1.00 0.00 C ATOM 440 C ALA A 29 103.662 5.615 -6.187 1.00 0.00 C ATOM 441 O ALA A 29 103.877 4.451 -6.471 1.00 0.00 O ATOM 442 CB ALA A 29 102.687 6.570 -8.284 1.00 0.00 C ATOM 0 H ALA A 29 103.061 8.384 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 29 101.553 5.803 -6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.773 5.598 -8.769 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.842 7.113 -8.707 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.602 7.139 -8.447 1.00 0.00 H new ATOM 448 N CYS A 30 104.440 6.269 -5.359 1.00 0.00 N ATOM 449 CA CYS A 30 105.617 5.594 -4.735 1.00 0.00 C ATOM 450 C CYS A 30 105.187 5.001 -3.393 1.00 0.00 C ATOM 451 O CYS A 30 104.631 5.684 -2.553 1.00 0.00 O ATOM 452 CB CYS A 30 106.734 6.614 -4.510 1.00 0.00 C ATOM 453 SG CYS A 30 108.052 5.857 -3.529 1.00 0.00 S ATOM 0 H CYS A 30 104.309 7.244 -5.089 1.00 0.00 H new ATOM 0 HA CYS A 30 105.983 4.804 -5.391 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.128 6.955 -5.467 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.342 7.492 -3.996 1.00 0.00 H new ATOM 0 HG CYS A 30 109.097 5.667 -4.279 1.00 0.00 H new ATOM 459 N PHE A 31 105.406 3.728 -3.188 1.00 0.00 N ATOM 460 CA PHE A 31 104.965 3.107 -1.911 1.00 0.00 C ATOM 461 C PHE A 31 106.136 2.428 -1.197 1.00 0.00 C ATOM 462 O PHE A 31 106.923 1.719 -1.798 1.00 0.00 O ATOM 463 CB PHE A 31 103.906 2.047 -2.217 1.00 0.00 C ATOM 464 CG PHE A 31 102.668 2.690 -2.793 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.749 3.447 -3.963 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.432 2.508 -2.170 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.610 4.021 -4.511 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.287 3.090 -2.720 1.00 0.00 C ATOM 469 CZ PHE A 31 100.375 3.850 -3.893 1.00 0.00 C ATOM 0 H PHE A 31 105.867 3.099 -3.845 1.00 0.00 H new ATOM 0 HA PHE A 31 104.563 3.889 -1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.306 1.317 -2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.652 1.505 -1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.705 3.587 -4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.361 1.920 -1.267 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.683 4.601 -5.419 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.330 2.953 -2.238 1.00 0.00 H new ATOM 0 HZ PHE A 31 99.489 4.301 -4.316 1.00 0.00 H new ATOM 479 N ALA A 32 106.228 2.614 0.091 1.00 0.00 N ATOM 480 CA ALA A 32 107.312 1.960 0.871 1.00 0.00 C ATOM 481 C ALA A 32 106.661 1.011 1.880 1.00 0.00 C ATOM 482 O ALA A 32 106.117 1.435 2.883 1.00 0.00 O ATOM 483 CB ALA A 32 108.133 3.019 1.611 1.00 0.00 C ATOM 0 H ALA A 32 105.594 3.195 0.639 1.00 0.00 H new ATOM 0 HA ALA A 32 107.977 1.409 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 32 108.925 2.533 2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.574 3.707 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.485 3.572 2.291 1.00 0.00 H new ATOM 489 N ILE A 33 106.684 -0.267 1.613 1.00 0.00 N ATOM 490 CA ILE A 33 106.042 -1.227 2.554 1.00 0.00 C ATOM 491 C ILE A 33 107.086 -1.818 3.498 1.00 0.00 C ATOM 492 O ILE A 33 107.875 -2.661 3.126 1.00 0.00 O ATOM 493 CB ILE A 33 105.372 -2.354 1.769 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.444 -1.753 0.712 1.00 0.00 C ATOM 495 CG2 ILE A 33 104.558 -3.227 2.727 1.00 0.00 C ATOM 496 CD1 ILE A 33 103.732 -2.876 -0.046 1.00 0.00 C ATOM 0 H ILE A 33 107.117 -0.685 0.789 1.00 0.00 H new ATOM 0 HA ILE A 33 105.292 -0.694 3.138 1.00 0.00 H new ATOM 0 HB ILE A 33 106.133 -2.963 1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.712 -1.100 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 33 105.017 -1.139 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.079 -4.031 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 33 105.219 -3.653 3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 33 103.795 -2.619 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.071 -2.445 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 33 104.471 -3.512 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 33 103.145 -3.472 0.653 1.00 0.00 H new ATOM 508 N TYR A 34 107.078 -1.388 4.727 1.00 0.00 N ATOM 509 CA TYR A 34 108.051 -1.928 5.714 1.00 0.00 C ATOM 510 C TYR A 34 107.361 -3.033 6.506 1.00 0.00 C ATOM 511 O TYR A 34 106.389 -2.797 7.193 1.00 0.00 O ATOM 512 CB TYR A 34 108.488 -0.807 6.663 1.00 0.00 C ATOM 513 CG TYR A 34 109.140 -1.394 7.894 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.054 -2.448 7.773 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.828 -0.882 9.158 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.655 -2.987 8.914 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.428 -1.419 10.299 1.00 0.00 C ATOM 518 CZ TYR A 34 110.344 -2.473 10.179 1.00 0.00 C ATOM 519 OH TYR A 34 110.935 -3.005 11.305 1.00 0.00 O ATOM 0 H TYR A 34 106.437 -0.683 5.092 1.00 0.00 H new ATOM 0 HA TYR A 34 108.930 -2.324 5.205 1.00 0.00 H new ATOM 0 HB2 TYR A 34 109.185 -0.141 6.155 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.625 -0.206 6.950 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.295 -2.845 6.798 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.122 -0.070 9.252 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.359 -3.800 8.820 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.186 -1.022 11.274 1.00 0.00 H new ATOM 0 HH TYR A 34 111.442 -2.307 11.769 1.00 0.00 H new ATOM 529 N THR A 35 107.836 -4.241 6.407 1.00 0.00 N ATOM 530 CA THR A 35 107.175 -5.345 7.152 1.00 0.00 C ATOM 531 C THR A 35 108.128 -6.535 7.267 1.00 0.00 C ATOM 532 O THR A 35 109.191 -6.559 6.675 1.00 0.00 O ATOM 533 CB THR A 35 105.893 -5.783 6.416 1.00 0.00 C ATOM 534 OG1 THR A 35 106.061 -7.098 5.903 1.00 0.00 O ATOM 535 CG2 THR A 35 105.584 -4.828 5.258 1.00 0.00 C ATOM 0 H THR A 35 108.646 -4.510 5.848 1.00 0.00 H new ATOM 0 HA THR A 35 106.914 -4.992 8.150 1.00 0.00 H new ATOM 0 HB THR A 35 105.064 -5.763 7.124 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.716 -7.084 5.174 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.676 -5.153 4.751 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.441 -3.820 5.646 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.415 -4.831 4.552 1.00 0.00 H new ATOM 543 N THR A 36 107.746 -7.526 8.023 1.00 0.00 N ATOM 544 CA THR A 36 108.616 -8.724 8.174 1.00 0.00 C ATOM 545 C THR A 36 109.159 -9.123 6.799 1.00 0.00 C ATOM 546 O THR A 36 108.529 -8.899 5.784 1.00 0.00 O ATOM 547 CB THR A 36 107.798 -9.882 8.753 1.00 0.00 C ATOM 548 OG1 THR A 36 106.563 -9.981 8.056 1.00 0.00 O ATOM 549 CG2 THR A 36 107.529 -9.631 10.239 1.00 0.00 C ATOM 0 H THR A 36 106.869 -7.558 8.543 1.00 0.00 H new ATOM 0 HA THR A 36 109.443 -8.495 8.846 1.00 0.00 H new ATOM 0 HB THR A 36 108.356 -10.812 8.641 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.496 -10.863 7.633 1.00 0.00 H new ATOM 0 HG21 THR A 36 106.947 -10.457 10.648 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.476 -9.556 10.773 1.00 0.00 H new ATOM 0 HG23 THR A 36 106.972 -8.701 10.356 1.00 0.00 H new ATOM 557 N LYS A 37 110.322 -9.707 6.756 1.00 0.00 N ATOM 558 CA LYS A 37 110.905 -10.115 5.453 1.00 0.00 C ATOM 559 C LYS A 37 109.989 -11.137 4.774 1.00 0.00 C ATOM 560 O LYS A 37 109.725 -11.062 3.590 1.00 0.00 O ATOM 561 CB LYS A 37 112.274 -10.744 5.705 1.00 0.00 C ATOM 562 CG LYS A 37 112.128 -11.910 6.685 1.00 0.00 C ATOM 563 CD LYS A 37 113.512 -12.466 7.030 1.00 0.00 C ATOM 564 CE LYS A 37 113.696 -13.827 6.358 1.00 0.00 C ATOM 565 NZ LYS A 37 115.050 -13.896 5.737 1.00 0.00 N ATOM 0 H LYS A 37 110.895 -9.920 7.572 1.00 0.00 H new ATOM 0 HA LYS A 37 111.007 -9.245 4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.703 -11.095 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 37 112.959 -9.999 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.623 -11.576 7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.510 -12.693 6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.287 -11.776 6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.617 -12.565 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.579 -14.625 7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 37 112.928 -13.977 5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 115.175 -14.822 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.145 -13.143 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 115.776 -13.772 6.472 1.00 0.00 H new ATOM 579 N GLU A 38 109.512 -12.097 5.515 1.00 0.00 N ATOM 580 CA GLU A 38 108.625 -13.133 4.929 1.00 0.00 C ATOM 581 C GLU A 38 107.401 -12.480 4.281 1.00 0.00 C ATOM 582 O GLU A 38 106.691 -13.104 3.517 1.00 0.00 O ATOM 583 CB GLU A 38 108.162 -14.086 6.033 1.00 0.00 C ATOM 584 CG GLU A 38 109.116 -15.280 6.113 1.00 0.00 C ATOM 585 CD GLU A 38 108.878 -16.205 4.917 1.00 0.00 C ATOM 586 OE1 GLU A 38 107.986 -17.033 5.003 1.00 0.00 O ATOM 587 OE2 GLU A 38 109.593 -16.072 3.938 1.00 0.00 O ATOM 0 H GLU A 38 109.702 -12.207 6.511 1.00 0.00 H new ATOM 0 HA GLU A 38 109.179 -13.683 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.135 -13.565 6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.148 -14.430 5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 38 110.149 -14.934 6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 38 108.957 -15.824 7.044 1.00 0.00 H new ATOM 594 N LYS A 39 107.138 -11.237 4.581 1.00 0.00 N ATOM 595 CA LYS A 39 105.950 -10.570 3.978 1.00 0.00 C ATOM 596 C LYS A 39 106.350 -9.848 2.691 1.00 0.00 C ATOM 597 O LYS A 39 105.796 -10.095 1.642 1.00 0.00 O ATOM 598 CB LYS A 39 105.362 -9.568 4.971 1.00 0.00 C ATOM 599 CG LYS A 39 103.903 -9.936 5.241 1.00 0.00 C ATOM 600 CD LYS A 39 103.672 -10.051 6.748 1.00 0.00 C ATOM 601 CE LYS A 39 102.876 -8.840 7.232 1.00 0.00 C ATOM 602 NZ LYS A 39 103.561 -7.594 6.790 1.00 0.00 N ATOM 0 H LYS A 39 107.691 -10.658 5.213 1.00 0.00 H new ATOM 0 HA LYS A 39 105.201 -11.326 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 39 105.932 -9.580 5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.428 -8.557 4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 39 103.243 -9.179 4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.659 -10.880 4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.132 -10.970 6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 39 104.627 -10.105 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 39 101.862 -8.873 6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 39 102.791 -8.856 8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 103.715 -6.973 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 104.477 -7.835 6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 102.970 -7.102 6.090 1.00 0.00 H new ATOM 616 N ALA A 40 107.304 -8.958 2.753 1.00 0.00 N ATOM 617 CA ALA A 40 107.713 -8.241 1.513 1.00 0.00 C ATOM 618 C ALA A 40 108.045 -9.266 0.430 1.00 0.00 C ATOM 619 O ALA A 40 107.871 -9.017 -0.747 1.00 0.00 O ATOM 620 CB ALA A 40 108.948 -7.378 1.784 1.00 0.00 C ATOM 0 H ALA A 40 107.812 -8.699 3.599 1.00 0.00 H new ATOM 0 HA ALA A 40 106.895 -7.599 1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.237 -6.859 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 40 108.718 -6.647 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.770 -8.013 2.116 1.00 0.00 H new ATOM 626 N ALA A 41 108.522 -10.420 0.815 1.00 0.00 N ATOM 627 CA ALA A 41 108.859 -11.455 -0.201 1.00 0.00 C ATOM 628 C ALA A 41 107.626 -11.735 -1.060 1.00 0.00 C ATOM 629 O ALA A 41 107.706 -11.841 -2.267 1.00 0.00 O ATOM 630 CB ALA A 41 109.298 -12.740 0.505 1.00 0.00 C ATOM 0 H ALA A 41 108.692 -10.688 1.784 1.00 0.00 H new ATOM 0 HA ALA A 41 109.671 -11.098 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.545 -13.498 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.175 -12.536 1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.488 -13.103 1.137 1.00 0.00 H new ATOM 636 N LEU A 42 106.483 -11.846 -0.443 1.00 0.00 N ATOM 637 CA LEU A 42 105.237 -12.108 -1.219 1.00 0.00 C ATOM 638 C LEU A 42 104.800 -10.817 -1.913 1.00 0.00 C ATOM 639 O LEU A 42 104.381 -10.823 -3.054 1.00 0.00 O ATOM 640 CB LEU A 42 104.131 -12.576 -0.269 1.00 0.00 C ATOM 641 CG LEU A 42 104.391 -14.025 0.146 1.00 0.00 C ATOM 642 CD1 LEU A 42 104.405 -14.124 1.672 1.00 0.00 C ATOM 643 CD2 LEU A 42 103.283 -14.921 -0.411 1.00 0.00 C ATOM 0 H LEU A 42 106.357 -11.767 0.566 1.00 0.00 H new ATOM 0 HA LEU A 42 105.424 -12.882 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.099 -11.935 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.160 -12.496 -0.757 1.00 0.00 H new ATOM 0 HG LEU A 42 105.354 -14.348 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.590 -15.157 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 42 105.193 -13.485 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 42 103.442 -13.801 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 42 103.467 -15.954 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.320 -14.597 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 42 103.271 -14.851 -1.499 1.00 0.00 H new ATOM 655 N LEU A 43 104.902 -9.708 -1.232 1.00 0.00 N ATOM 656 CA LEU A 43 104.502 -8.412 -1.845 1.00 0.00 C ATOM 657 C LEU A 43 105.415 -8.119 -3.030 1.00 0.00 C ATOM 658 O LEU A 43 105.126 -7.279 -3.859 1.00 0.00 O ATOM 659 CB LEU A 43 104.652 -7.291 -0.812 1.00 0.00 C ATOM 660 CG LEU A 43 103.431 -7.254 0.107 1.00 0.00 C ATOM 661 CD1 LEU A 43 102.264 -6.591 -0.629 1.00 0.00 C ATOM 662 CD2 LEU A 43 103.040 -8.680 0.508 1.00 0.00 C ATOM 0 H LEU A 43 105.247 -9.645 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 43 103.465 -8.469 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.555 -7.448 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 43 104.764 -6.332 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 43 103.670 -6.683 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 43 101.391 -6.563 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 43 102.541 -5.575 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.028 -7.163 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 43 102.169 -8.648 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 43 102.801 -9.257 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 43 103.871 -9.151 1.032 1.00 0.00 H new ATOM 674 N TYR A 44 106.518 -8.805 -3.114 1.00 0.00 N ATOM 675 CA TYR A 44 107.454 -8.562 -4.241 1.00 0.00 C ATOM 676 C TYR A 44 106.932 -9.275 -5.488 1.00 0.00 C ATOM 677 O TYR A 44 106.629 -8.656 -6.490 1.00 0.00 O ATOM 678 CB TYR A 44 108.841 -9.098 -3.881 1.00 0.00 C ATOM 679 CG TYR A 44 109.871 -8.499 -4.810 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.877 -8.847 -6.166 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.827 -7.604 -4.316 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.833 -8.301 -7.027 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.788 -7.059 -5.177 1.00 0.00 C ATOM 684 CZ TYR A 44 111.791 -7.407 -6.533 1.00 0.00 C ATOM 685 OH TYR A 44 112.734 -6.867 -7.385 1.00 0.00 O ATOM 0 H TYR A 44 106.811 -9.523 -2.451 1.00 0.00 H new ATOM 0 HA TYR A 44 107.525 -7.492 -4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.081 -8.850 -2.847 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.854 -10.185 -3.959 1.00 0.00 H new ATOM 0 HD1 TYR A 44 109.141 -9.539 -6.548 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.824 -7.333 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 44 110.833 -8.569 -8.073 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.527 -6.370 -4.795 1.00 0.00 H new ATOM 0 HH TYR A 44 112.978 -5.970 -7.076 1.00 0.00 H new ATOM 695 N LYS A 45 106.821 -10.574 -5.433 1.00 0.00 N ATOM 696 CA LYS A 45 106.316 -11.329 -6.612 1.00 0.00 C ATOM 697 C LYS A 45 104.839 -10.996 -6.836 1.00 0.00 C ATOM 698 O LYS A 45 104.283 -11.280 -7.878 1.00 0.00 O ATOM 699 CB LYS A 45 106.465 -12.830 -6.356 1.00 0.00 C ATOM 700 CG LYS A 45 107.546 -13.399 -7.276 1.00 0.00 C ATOM 701 CD LYS A 45 107.332 -14.904 -7.447 1.00 0.00 C ATOM 702 CE LYS A 45 108.651 -15.565 -7.852 1.00 0.00 C ATOM 703 NZ LYS A 45 108.376 -16.692 -8.788 1.00 0.00 N ATOM 0 H LYS A 45 107.059 -11.145 -4.622 1.00 0.00 H new ATOM 0 HA LYS A 45 106.890 -11.051 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.729 -13.008 -5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.516 -13.336 -6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 45 107.510 -12.904 -8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 45 108.533 -13.207 -6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 45 106.966 -15.338 -6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 45 106.572 -15.090 -8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 45 109.305 -14.834 -8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 45 109.173 -15.932 -6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 109.273 -17.141 -9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 107.767 -17.393 -8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 107.896 -16.329 -9.636 1.00 0.00 H new ATOM 717 N LYS A 46 104.199 -10.395 -5.870 1.00 0.00 N ATOM 718 CA LYS A 46 102.761 -10.048 -6.039 1.00 0.00 C ATOM 719 C LYS A 46 102.643 -8.674 -6.699 1.00 0.00 C ATOM 720 O LYS A 46 102.308 -8.563 -7.861 1.00 0.00 O ATOM 721 CB LYS A 46 102.073 -10.027 -4.674 1.00 0.00 C ATOM 722 CG LYS A 46 101.511 -11.418 -4.371 1.00 0.00 C ATOM 723 CD LYS A 46 100.751 -11.388 -3.044 1.00 0.00 C ATOM 724 CE LYS A 46 99.524 -12.298 -3.139 1.00 0.00 C ATOM 725 NZ LYS A 46 98.289 -11.464 -3.193 1.00 0.00 N ATOM 0 H LYS A 46 104.609 -10.130 -4.974 1.00 0.00 H new ATOM 0 HA LYS A 46 102.279 -10.794 -6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.782 -9.732 -3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 46 101.271 -9.289 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 46 100.847 -11.736 -5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.321 -12.145 -4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 46 101.400 -11.718 -2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.444 -10.368 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 46 99.591 -12.925 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 46 99.487 -12.967 -2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 97.455 -12.082 -3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 98.224 -10.884 -2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 98.325 -10.844 -4.027 1.00 0.00 H new ATOM 739 N ILE A 47 102.916 -7.623 -5.973 1.00 0.00 N ATOM 740 CA ILE A 47 102.816 -6.266 -6.579 1.00 0.00 C ATOM 741 C ILE A 47 103.492 -6.283 -7.953 1.00 0.00 C ATOM 742 O ILE A 47 103.170 -5.504 -8.824 1.00 0.00 O ATOM 743 CB ILE A 47 103.522 -5.242 -5.689 1.00 0.00 C ATOM 744 CG1 ILE A 47 102.806 -5.170 -4.318 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.530 -3.880 -6.402 1.00 0.00 C ATOM 746 CD1 ILE A 47 101.966 -3.889 -4.176 1.00 0.00 C ATOM 0 H ILE A 47 103.202 -7.645 -4.994 1.00 0.00 H new ATOM 0 HA ILE A 47 101.766 -5.993 -6.678 1.00 0.00 H new ATOM 0 HB ILE A 47 104.556 -5.538 -5.509 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.162 -6.041 -4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.547 -5.209 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.032 -3.144 -5.774 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.059 -3.969 -7.351 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.505 -3.560 -6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.481 -3.878 -3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.614 -3.017 -4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.208 -3.863 -4.959 1.00 0.00 H new ATOM 758 N MET A 48 104.440 -7.160 -8.143 1.00 0.00 N ATOM 759 CA MET A 48 105.153 -7.226 -9.452 1.00 0.00 C ATOM 760 C MET A 48 104.170 -7.041 -10.613 1.00 0.00 C ATOM 761 O MET A 48 104.066 -5.974 -11.185 1.00 0.00 O ATOM 762 CB MET A 48 105.840 -8.588 -9.583 1.00 0.00 C ATOM 763 CG MET A 48 107.348 -8.385 -9.748 1.00 0.00 C ATOM 764 SD MET A 48 107.988 -9.569 -10.959 1.00 0.00 S ATOM 765 CE MET A 48 109.544 -9.938 -10.113 1.00 0.00 C ATOM 0 H MET A 48 104.753 -7.836 -7.446 1.00 0.00 H new ATOM 0 HA MET A 48 105.893 -6.426 -9.490 1.00 0.00 H new ATOM 0 HB2 MET A 48 105.638 -9.195 -8.701 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.439 -9.129 -10.440 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.555 -7.366 -10.075 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.851 -8.520 -8.790 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.071 -10.727 -10.649 1.00 0.00 H new ATOM 0 HE2 MET A 48 110.164 -9.042 -10.085 1.00 0.00 H new ATOM 0 HE3 MET A 48 109.336 -10.267 -9.095 1.00 0.00 H new ATOM 775 N GLU A 49 103.464 -8.076 -10.981 1.00 0.00 N ATOM 776 CA GLU A 49 102.507 -7.966 -12.122 1.00 0.00 C ATOM 777 C GLU A 49 101.176 -7.369 -11.657 1.00 0.00 C ATOM 778 O GLU A 49 100.221 -7.314 -12.407 1.00 0.00 O ATOM 779 CB GLU A 49 102.259 -9.360 -12.702 1.00 0.00 C ATOM 780 CG GLU A 49 102.608 -9.367 -14.191 1.00 0.00 C ATOM 781 CD GLU A 49 104.128 -9.321 -14.360 1.00 0.00 C ATOM 782 OE1 GLU A 49 104.760 -10.341 -14.140 1.00 0.00 O ATOM 783 OE2 GLU A 49 104.632 -8.267 -14.709 1.00 0.00 O ATOM 0 H GLU A 49 103.508 -8.995 -10.541 1.00 0.00 H new ATOM 0 HA GLU A 49 102.937 -7.311 -12.880 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.863 -10.097 -12.173 1.00 0.00 H new ATOM 0 HB3 GLU A 49 101.216 -9.643 -12.562 1.00 0.00 H new ATOM 0 HG2 GLU A 49 102.206 -10.262 -14.665 1.00 0.00 H new ATOM 0 HG3 GLU A 49 102.150 -8.511 -14.687 1.00 0.00 H new ATOM 790 N LYS A 50 101.092 -6.923 -10.434 1.00 0.00 N ATOM 791 CA LYS A 50 99.809 -6.337 -9.948 1.00 0.00 C ATOM 792 C LYS A 50 99.792 -4.829 -10.217 1.00 0.00 C ATOM 793 O LYS A 50 98.747 -4.232 -10.393 1.00 0.00 O ATOM 794 CB LYS A 50 99.663 -6.596 -8.448 1.00 0.00 C ATOM 795 CG LYS A 50 98.320 -6.050 -7.960 1.00 0.00 C ATOM 796 CD LYS A 50 97.617 -7.089 -7.079 1.00 0.00 C ATOM 797 CE LYS A 50 98.605 -7.679 -6.069 1.00 0.00 C ATOM 798 NZ LYS A 50 98.651 -9.160 -6.229 1.00 0.00 N ATOM 0 H LYS A 50 101.851 -6.938 -9.753 1.00 0.00 H new ATOM 0 HA LYS A 50 98.978 -6.803 -10.477 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.727 -7.665 -8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.479 -6.119 -7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.476 -5.130 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.689 -5.799 -8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 50 96.781 -6.626 -6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 50 97.203 -7.883 -7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.597 -7.254 -6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.302 -7.421 -5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 99.334 -9.561 -5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.708 -9.559 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.943 -9.395 -7.199 1.00 0.00 H new ATOM 812 N TYR A 51 100.940 -4.207 -10.253 1.00 0.00 N ATOM 813 CA TYR A 51 100.989 -2.739 -10.510 1.00 0.00 C ATOM 814 C TYR A 51 102.137 -2.416 -11.467 1.00 0.00 C ATOM 815 O TYR A 51 102.531 -1.277 -11.595 1.00 0.00 O ATOM 816 CB TYR A 51 101.241 -1.992 -9.198 1.00 0.00 C ATOM 817 CG TYR A 51 99.988 -1.963 -8.362 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.739 -2.992 -7.450 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.082 -0.905 -8.490 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.582 -2.963 -6.665 1.00 0.00 C ATOM 821 CE2 TYR A 51 97.926 -0.875 -7.709 1.00 0.00 C ATOM 822 CZ TYR A 51 97.674 -1.904 -6.793 1.00 0.00 C ATOM 823 OH TYR A 51 96.531 -1.875 -6.020 1.00 0.00 O ATOM 0 H TYR A 51 101.847 -4.653 -10.115 1.00 0.00 H new ATOM 0 HA TYR A 51 100.038 -2.432 -10.945 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.044 -2.478 -8.644 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.569 -0.974 -9.409 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.439 -3.808 -7.352 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.277 -0.110 -9.194 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.388 -3.758 -5.960 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.226 -0.059 -7.811 1.00 0.00 H new ATOM 0 HH TYR A 51 96.012 -1.072 -6.234 1.00 0.00 H new ATOM 833 N SER A 52 102.702 -3.395 -12.122 1.00 0.00 N ATOM 834 CA SER A 52 103.841 -3.091 -13.034 1.00 0.00 C ATOM 835 C SER A 52 104.821 -2.200 -12.268 1.00 0.00 C ATOM 836 O SER A 52 105.244 -1.163 -12.739 1.00 0.00 O ATOM 837 CB SER A 52 103.332 -2.353 -14.272 1.00 0.00 C ATOM 838 OG SER A 52 104.093 -2.752 -15.403 1.00 0.00 O ATOM 0 H SER A 52 102.430 -4.376 -12.067 1.00 0.00 H new ATOM 0 HA SER A 52 104.329 -4.011 -13.357 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.277 -2.574 -14.433 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.413 -1.276 -14.126 1.00 0.00 H new ATOM 0 HG SER A 52 103.768 -2.281 -16.199 1.00 0.00 H new ATOM 844 N VAL A 53 105.149 -2.601 -11.070 1.00 0.00 N ATOM 845 CA VAL A 53 106.069 -1.806 -10.205 1.00 0.00 C ATOM 846 C VAL A 53 107.126 -1.066 -11.026 1.00 0.00 C ATOM 847 O VAL A 53 107.843 -1.650 -11.814 1.00 0.00 O ATOM 848 CB VAL A 53 106.770 -2.747 -9.228 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.721 -3.514 -8.426 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.638 -3.734 -10.010 1.00 0.00 C ATOM 0 H VAL A 53 104.811 -3.465 -10.645 1.00 0.00 H new ATOM 0 HA VAL A 53 105.474 -1.064 -9.673 1.00 0.00 H new ATOM 0 HB VAL A 53 107.398 -2.170 -8.549 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.218 -4.187 -7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.100 -2.810 -7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 53 105.096 -4.093 -9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 53 108.140 -4.407 -9.315 1.00 0.00 H new ATOM 0 HG22 VAL A 53 107.010 -4.313 -10.687 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.383 -3.186 -10.586 1.00 0.00 H new ATOM 860 N THR A 54 107.247 0.218 -10.813 1.00 0.00 N ATOM 861 CA THR A 54 108.281 1.004 -11.539 1.00 0.00 C ATOM 862 C THR A 54 109.646 0.701 -10.912 1.00 0.00 C ATOM 863 O THR A 54 110.673 1.156 -11.375 1.00 0.00 O ATOM 864 CB THR A 54 107.976 2.497 -11.408 1.00 0.00 C ATOM 865 OG1 THR A 54 106.588 2.674 -11.158 1.00 0.00 O ATOM 866 CG2 THR A 54 108.360 3.212 -12.704 1.00 0.00 C ATOM 0 H THR A 54 106.671 0.756 -10.165 1.00 0.00 H new ATOM 0 HA THR A 54 108.285 0.735 -12.595 1.00 0.00 H new ATOM 0 HB THR A 54 108.550 2.916 -10.582 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.403 3.623 -10.995 1.00 0.00 H new ATOM 0 HG21 THR A 54 108.143 4.276 -12.611 1.00 0.00 H new ATOM 0 HG22 THR A 54 109.424 3.074 -12.894 1.00 0.00 H new ATOM 0 HG23 THR A 54 107.787 2.796 -13.533 1.00 0.00 H new ATOM 874 N PHE A 55 109.652 -0.071 -9.856 1.00 0.00 N ATOM 875 CA PHE A 55 110.923 -0.427 -9.172 1.00 0.00 C ATOM 876 C PHE A 55 110.577 -1.150 -7.869 1.00 0.00 C ATOM 877 O PHE A 55 110.135 -0.545 -6.912 1.00 0.00 O ATOM 878 CB PHE A 55 111.716 0.842 -8.860 1.00 0.00 C ATOM 879 CG PHE A 55 112.942 0.481 -8.061 1.00 0.00 C ATOM 880 CD1 PHE A 55 113.537 -0.775 -8.220 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.483 1.402 -7.159 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.671 -1.110 -7.477 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.618 1.068 -6.414 1.00 0.00 C ATOM 884 CZ PHE A 55 115.214 -0.190 -6.574 1.00 0.00 C ATOM 0 H PHE A 55 108.815 -0.474 -9.435 1.00 0.00 H new ATOM 0 HA PHE A 55 111.528 -1.069 -9.813 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.005 1.340 -9.785 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.097 1.543 -8.300 1.00 0.00 H new ATOM 0 HD1 PHE A 55 113.119 -1.486 -8.918 1.00 0.00 H new ATOM 0 HD2 PHE A 55 113.024 2.372 -7.038 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.129 -2.080 -7.600 1.00 0.00 H new ATOM 0 HE2 PHE A 55 115.035 1.779 -5.716 1.00 0.00 H new ATOM 0 HZ PHE A 55 116.092 -0.449 -6.001 1.00 0.00 H new ATOM 894 N ILE A 56 110.750 -2.441 -7.829 1.00 0.00 N ATOM 895 CA ILE A 56 110.404 -3.202 -6.597 1.00 0.00 C ATOM 896 C ILE A 56 111.678 -3.794 -5.989 1.00 0.00 C ATOM 897 O ILE A 56 112.146 -4.836 -6.399 1.00 0.00 O ATOM 898 CB ILE A 56 109.427 -4.312 -6.989 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.062 -5.170 -5.775 1.00 0.00 C ATOM 900 CG2 ILE A 56 110.061 -5.194 -8.064 1.00 0.00 C ATOM 901 CD1 ILE A 56 107.956 -6.145 -6.185 1.00 0.00 C ATOM 0 H ILE A 56 111.117 -3.003 -8.597 1.00 0.00 H new ATOM 0 HA ILE A 56 109.943 -2.551 -5.854 1.00 0.00 H new ATOM 0 HB ILE A 56 108.517 -3.852 -7.375 1.00 0.00 H new ATOM 0 HG12 ILE A 56 109.936 -5.716 -5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 56 108.725 -4.539 -4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.365 -5.985 -8.343 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.293 -4.589 -8.940 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.978 -5.638 -7.676 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.683 -6.765 -5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.083 -5.585 -6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.313 -6.780 -6.996 1.00 0.00 H new ATOM 913 N SER A 57 112.252 -3.129 -5.021 1.00 0.00 N ATOM 914 CA SER A 57 113.502 -3.649 -4.400 1.00 0.00 C ATOM 915 C SER A 57 113.228 -4.121 -2.970 1.00 0.00 C ATOM 916 O SER A 57 112.346 -3.627 -2.298 1.00 0.00 O ATOM 917 CB SER A 57 114.551 -2.536 -4.368 1.00 0.00 C ATOM 918 OG SER A 57 115.751 -3.042 -3.798 1.00 0.00 O ATOM 0 H SER A 57 111.908 -2.250 -4.635 1.00 0.00 H new ATOM 0 HA SER A 57 113.866 -4.490 -4.989 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.740 -2.169 -5.377 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.185 -1.691 -3.784 1.00 0.00 H new ATOM 0 HG SER A 57 115.672 -3.048 -2.821 1.00 0.00 H new ATOM 924 N ARG A 58 113.994 -5.064 -2.499 1.00 0.00 N ATOM 925 CA ARG A 58 113.808 -5.566 -1.108 1.00 0.00 C ATOM 926 C ARG A 58 115.101 -5.302 -0.331 1.00 0.00 C ATOM 927 O ARG A 58 116.177 -5.657 -0.771 1.00 0.00 O ATOM 928 CB ARG A 58 113.522 -7.069 -1.139 1.00 0.00 C ATOM 929 CG ARG A 58 112.789 -7.476 0.141 1.00 0.00 C ATOM 930 CD ARG A 58 112.143 -8.849 -0.055 1.00 0.00 C ATOM 931 NE ARG A 58 112.890 -9.866 0.738 1.00 0.00 N ATOM 932 CZ ARG A 58 112.539 -11.121 0.685 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.762 -11.817 -0.396 1.00 0.00 N ATOM 934 NH2 ARG A 58 111.964 -11.681 1.714 1.00 0.00 N ATOM 0 H ARG A 58 114.747 -5.512 -3.021 1.00 0.00 H new ATOM 0 HA ARG A 58 112.970 -5.059 -0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 58 112.917 -7.317 -2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.455 -7.626 -1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 58 113.487 -7.507 0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 58 112.028 -6.736 0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.100 -8.821 0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 58 112.150 -9.119 -1.111 1.00 0.00 H new ATOM 0 HE ARG A 58 113.676 -9.581 1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 58 113.211 -11.380 -1.201 1.00 0.00 H new ATOM 0 HH12 ARG A 58 112.487 -12.798 -0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 58 111.789 -11.137 2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 58 111.689 -12.662 1.673 1.00 0.00 H new ATOM 948 N HIS A 59 115.019 -4.670 0.808 1.00 0.00 N ATOM 949 CA HIS A 59 116.265 -4.379 1.577 1.00 0.00 C ATOM 950 C HIS A 59 116.130 -4.875 3.017 1.00 0.00 C ATOM 951 O HIS A 59 115.058 -5.226 3.468 1.00 0.00 O ATOM 952 CB HIS A 59 116.512 -2.870 1.583 1.00 0.00 C ATOM 953 CG HIS A 59 116.455 -2.349 0.173 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.598 -2.104 -0.571 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.400 -2.020 -0.641 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.209 -1.649 -1.775 1.00 0.00 C ATOM 957 NE2 HIS A 59 115.879 -1.578 -1.871 1.00 0.00 N ATOM 0 H HIS A 59 114.153 -4.345 1.237 1.00 0.00 H new ATOM 0 HA HIS A 59 117.102 -4.893 1.104 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.763 -2.370 2.198 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.484 -2.651 2.024 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.560 -2.243 -0.262 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.357 -2.093 -0.369 1.00 0.00 H new ATOM 0 HE1 HIS A 59 117.889 -1.374 -2.568 1.00 0.00 H new ATOM 965 N ASN A 60 117.217 -4.904 3.742 1.00 0.00 N ATOM 966 CA ASN A 60 117.165 -5.375 5.155 1.00 0.00 C ATOM 967 C ASN A 60 117.422 -4.198 6.098 1.00 0.00 C ATOM 968 O ASN A 60 118.393 -3.479 5.959 1.00 0.00 O ATOM 969 CB ASN A 60 118.236 -6.444 5.378 1.00 0.00 C ATOM 970 CG ASN A 60 117.638 -7.829 5.119 1.00 0.00 C ATOM 971 OD1 ASN A 60 116.790 -7.987 4.141 1.00 0.00 O flip ATOM 972 ND2 ASN A 60 117.947 -8.776 5.814 1.00 0.00 N flip ATOM 0 H ASN A 60 118.141 -4.621 3.414 1.00 0.00 H new ATOM 0 HA ASN A 60 116.180 -5.796 5.358 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.081 -6.271 4.712 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.616 -6.385 6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.610 -8.652 6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 60 117.543 -9.695 5.633 1.00 0.00 H new ATOM 979 N SER A 61 116.560 -3.999 7.058 1.00 0.00 N ATOM 980 CA SER A 61 116.753 -2.873 8.012 1.00 0.00 C ATOM 981 C SER A 61 117.312 -3.413 9.330 1.00 0.00 C ATOM 982 O SER A 61 118.453 -3.177 9.675 1.00 0.00 O ATOM 983 CB SER A 61 115.410 -2.186 8.270 1.00 0.00 C ATOM 984 OG SER A 61 114.357 -3.109 8.028 1.00 0.00 O ATOM 0 H SER A 61 115.730 -4.569 7.222 1.00 0.00 H new ATOM 0 HA SER A 61 117.453 -2.153 7.588 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.364 -1.826 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.303 -1.316 7.622 1.00 0.00 H new ATOM 0 HG SER A 61 113.544 -2.804 8.483 1.00 0.00 H new ATOM 990 N TYR A 62 116.517 -4.137 10.073 1.00 0.00 N ATOM 991 CA TYR A 62 117.006 -4.690 11.368 1.00 0.00 C ATOM 992 C TYR A 62 116.429 -6.094 11.579 1.00 0.00 C ATOM 993 O TYR A 62 117.111 -7.085 11.418 1.00 0.00 O ATOM 994 CB TYR A 62 116.565 -3.773 12.510 1.00 0.00 C ATOM 995 CG TYR A 62 117.013 -2.361 12.219 1.00 0.00 C ATOM 996 CD1 TYR A 62 118.312 -1.955 12.549 1.00 0.00 C ATOM 997 CD2 TYR A 62 116.130 -1.456 11.616 1.00 0.00 C ATOM 998 CE1 TYR A 62 118.726 -0.647 12.278 1.00 0.00 C ATOM 999 CE2 TYR A 62 116.546 -0.149 11.345 1.00 0.00 C ATOM 1000 CZ TYR A 62 117.844 0.257 11.675 1.00 0.00 C ATOM 1001 OH TYR A 62 118.254 1.546 11.407 1.00 0.00 O ATOM 0 H TYR A 62 115.552 -4.369 9.839 1.00 0.00 H new ATOM 0 HA TYR A 62 118.094 -4.750 11.351 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.481 -3.807 12.621 1.00 0.00 H new ATOM 0 HB3 TYR A 62 116.993 -4.115 13.452 1.00 0.00 H new ATOM 0 HD1 TYR A 62 118.994 -2.652 13.013 1.00 0.00 H new ATOM 0 HD2 TYR A 62 115.128 -1.768 11.360 1.00 0.00 H new ATOM 0 HE1 TYR A 62 119.727 -0.334 12.534 1.00 0.00 H new ATOM 0 HE2 TYR A 62 115.865 0.548 10.880 1.00 0.00 H new ATOM 0 HH TYR A 62 117.521 2.042 10.986 1.00 0.00 H new ATOM 1011 N ASN A 63 115.176 -6.186 11.935 1.00 0.00 N ATOM 1012 CA ASN A 63 114.560 -7.527 12.151 1.00 0.00 C ATOM 1013 C ASN A 63 113.603 -7.841 11.000 1.00 0.00 C ATOM 1014 O ASN A 63 113.056 -8.921 10.913 1.00 0.00 O ATOM 1015 CB ASN A 63 113.782 -7.531 13.468 1.00 0.00 C ATOM 1016 CG ASN A 63 114.664 -8.096 14.582 1.00 0.00 C ATOM 1017 OD1 ASN A 63 115.825 -7.551 14.818 1.00 0.00 O flip ATOM 1018 ND2 ASN A 63 114.293 -9.043 15.246 1.00 0.00 N flip ATOM 0 H ASN A 63 114.553 -5.392 12.085 1.00 0.00 H new ATOM 0 HA ASN A 63 115.346 -8.281 12.191 1.00 0.00 H new ATOM 0 HB2 ASN A 63 113.466 -6.518 13.719 1.00 0.00 H new ATOM 0 HB3 ASN A 63 112.878 -8.131 13.366 1.00 0.00 H new ATOM 0 HD21 ASN A 63 113.385 -9.470 15.062 1.00 0.00 H new ATOM 0 HD22 ASN A 63 114.889 -9.411 15.987 1.00 0.00 H new ATOM 1025 N HIS A 64 113.392 -6.903 10.118 1.00 0.00 N ATOM 1026 CA HIS A 64 112.467 -7.149 8.979 1.00 0.00 C ATOM 1027 C HIS A 64 113.024 -6.481 7.719 1.00 0.00 C ATOM 1028 O HIS A 64 114.081 -5.885 7.745 1.00 0.00 O ATOM 1029 CB HIS A 64 111.091 -6.585 9.326 1.00 0.00 C ATOM 1030 CG HIS A 64 110.677 -7.118 10.670 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.546 -8.397 11.147 1.00 0.00 N flip ATOM 1032 CD2 HIS A 64 110.353 -6.287 11.728 1.00 0.00 C flip ATOM 1033 CE1 HIS A 64 110.149 -8.365 12.478 1.00 0.00 C flip ATOM 1034 NE2 HIS A 64 110.047 -7.071 12.779 1.00 0.00 N flip ATOM 0 H HIS A 64 113.821 -5.978 10.138 1.00 0.00 H new ATOM 0 HA HIS A 64 112.374 -8.219 8.792 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.123 -5.496 9.345 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.363 -6.870 8.566 1.00 0.00 H new ATOM 0 HD1 HIS A 64 110.715 -9.245 10.606 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.347 -5.207 11.713 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.963 -9.207 13.128 1.00 0.00 H new ATOM 1042 N ASN A 65 112.339 -6.591 6.612 1.00 0.00 N ATOM 1043 CA ASN A 65 112.864 -5.977 5.358 1.00 0.00 C ATOM 1044 C ASN A 65 111.870 -4.953 4.806 1.00 0.00 C ATOM 1045 O ASN A 65 110.679 -5.036 5.035 1.00 0.00 O ATOM 1046 CB ASN A 65 113.081 -7.073 4.311 1.00 0.00 C ATOM 1047 CG ASN A 65 114.022 -8.144 4.867 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.881 -7.827 5.795 1.00 0.00 O flip ATOM 1049 ND2 ASN A 65 113.976 -9.284 4.448 1.00 0.00 N flip ATOM 0 H ASN A 65 111.446 -7.075 6.522 1.00 0.00 H new ATOM 0 HA ASN A 65 113.806 -5.475 5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.126 -7.522 4.038 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.502 -6.642 3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 65 113.305 -9.534 3.722 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.609 -9.991 4.822 1.00 0.00 H new ATOM 1056 N ILE A 66 112.355 -3.997 4.060 1.00 0.00 N ATOM 1057 CA ILE A 66 111.451 -2.973 3.467 1.00 0.00 C ATOM 1058 C ILE A 66 111.146 -3.371 2.022 1.00 0.00 C ATOM 1059 O ILE A 66 111.858 -4.152 1.421 1.00 0.00 O ATOM 1060 CB ILE A 66 112.137 -1.601 3.489 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.119 -1.048 4.916 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.395 -0.634 2.561 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.101 -1.836 5.783 1.00 0.00 C ATOM 0 H ILE A 66 113.343 -3.882 3.836 1.00 0.00 H new ATOM 0 HA ILE A 66 110.527 -2.915 4.042 1.00 0.00 H new ATOM 0 HB ILE A 66 113.167 -1.708 3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.389 0.008 4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.114 -1.118 5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 66 111.887 0.339 2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.406 -1.025 1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.364 -0.526 2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.087 -1.441 6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.811 -2.887 5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.106 -1.743 5.371 1.00 0.00 H new ATOM 1075 N LEU A 67 110.097 -2.845 1.457 1.00 0.00 N ATOM 1076 CA LEU A 67 109.756 -3.202 0.053 1.00 0.00 C ATOM 1077 C LEU A 67 109.527 -1.927 -0.757 1.00 0.00 C ATOM 1078 O LEU A 67 108.461 -1.345 -0.738 1.00 0.00 O ATOM 1079 CB LEU A 67 108.489 -4.057 0.033 1.00 0.00 C ATOM 1080 CG LEU A 67 107.985 -4.183 -1.405 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.081 -4.794 -2.280 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.750 -5.085 -1.432 1.00 0.00 C ATOM 0 H LEU A 67 109.462 -2.185 1.905 1.00 0.00 H new ATOM 0 HA LEU A 67 110.578 -3.767 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.697 -5.044 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.721 -3.604 0.661 1.00 0.00 H new ATOM 0 HG LEU A 67 107.725 -3.196 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.721 -4.883 -3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.962 -4.153 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 67 109.342 -5.782 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.389 -5.176 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 67 107.012 -6.072 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 67 105.968 -4.650 -0.809 1.00 0.00 H new ATOM 1094 N PHE A 68 110.526 -1.493 -1.467 1.00 0.00 N ATOM 1095 CA PHE A 68 110.391 -0.259 -2.285 1.00 0.00 C ATOM 1096 C PHE A 68 109.661 -0.589 -3.586 1.00 0.00 C ATOM 1097 O PHE A 68 110.271 -0.959 -4.566 1.00 0.00 O ATOM 1098 CB PHE A 68 111.790 0.261 -2.614 1.00 0.00 C ATOM 1099 CG PHE A 68 111.873 1.730 -2.305 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.258 2.241 -1.157 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.564 2.584 -3.169 1.00 0.00 C ATOM 1102 CE1 PHE A 68 111.333 3.605 -0.874 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.640 3.948 -2.887 1.00 0.00 C ATOM 1104 CZ PHE A 68 112.024 4.461 -1.740 1.00 0.00 C ATOM 0 H PHE A 68 111.439 -1.944 -1.517 1.00 0.00 H new ATOM 0 HA PHE A 68 109.827 0.494 -1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.536 -0.284 -2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.014 0.088 -3.667 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.725 1.580 -0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.039 2.188 -4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.859 4.000 0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 68 113.174 4.608 -3.554 1.00 0.00 H new ATOM 0 HZ PHE A 68 112.082 5.517 -1.523 1.00 0.00 H new ATOM 1114 N PHE A 69 108.361 -0.460 -3.618 1.00 0.00 N ATOM 1115 CA PHE A 69 107.638 -0.781 -4.880 1.00 0.00 C ATOM 1116 C PHE A 69 106.926 0.464 -5.419 1.00 0.00 C ATOM 1117 O PHE A 69 106.013 0.999 -4.817 1.00 0.00 O ATOM 1118 CB PHE A 69 106.648 -1.935 -4.639 1.00 0.00 C ATOM 1119 CG PHE A 69 105.317 -1.430 -4.127 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.113 -1.254 -2.754 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.276 -1.165 -5.026 1.00 0.00 C ATOM 1122 CE1 PHE A 69 103.872 -0.809 -2.281 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.036 -0.723 -4.555 1.00 0.00 C ATOM 1124 CZ PHE A 69 102.833 -0.544 -3.183 1.00 0.00 C ATOM 0 H PHE A 69 107.778 -0.152 -2.840 1.00 0.00 H new ATOM 0 HA PHE A 69 108.357 -1.103 -5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.496 -2.485 -5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.073 -2.635 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 69 105.913 -1.461 -2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.432 -1.302 -6.086 1.00 0.00 H new ATOM 0 HE1 PHE A 69 103.716 -0.670 -1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.235 -0.520 -5.251 1.00 0.00 H new ATOM 0 HZ PHE A 69 101.876 -0.202 -2.819 1.00 0.00 H new ATOM 1134 N LEU A 70 107.359 0.922 -6.565 1.00 0.00 N ATOM 1135 CA LEU A 70 106.746 2.125 -7.197 1.00 0.00 C ATOM 1136 C LEU A 70 105.587 1.679 -8.085 1.00 0.00 C ATOM 1137 O LEU A 70 105.408 0.505 -8.329 1.00 0.00 O ATOM 1138 CB LEU A 70 107.793 2.814 -8.073 1.00 0.00 C ATOM 1139 CG LEU A 70 108.018 4.249 -7.602 1.00 0.00 C ATOM 1140 CD1 LEU A 70 108.951 4.252 -6.391 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.657 5.050 -8.741 1.00 0.00 C ATOM 0 H LEU A 70 108.123 0.506 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 70 106.391 2.809 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.731 2.260 -8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.465 2.813 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 70 107.065 4.698 -7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.110 5.277 -6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.502 3.673 -5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.907 3.808 -6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 70 108.822 6.077 -8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 70 109.611 4.598 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 70 107.993 5.046 -9.606 1.00 0.00 H new ATOM 1153 N THR A 71 104.797 2.594 -8.576 1.00 0.00 N ATOM 1154 CA THR A 71 103.668 2.180 -9.451 1.00 0.00 C ATOM 1155 C THR A 71 103.485 3.178 -10.602 1.00 0.00 C ATOM 1156 O THR A 71 103.833 4.336 -10.481 1.00 0.00 O ATOM 1157 CB THR A 71 102.390 2.119 -8.625 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.182 3.371 -7.986 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.503 1.019 -7.568 1.00 0.00 C ATOM 0 H THR A 71 104.883 3.597 -8.411 1.00 0.00 H new ATOM 0 HA THR A 71 103.888 1.199 -9.871 1.00 0.00 H new ATOM 0 HB THR A 71 101.549 1.897 -9.282 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.232 3.608 -8.031 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.585 0.982 -6.982 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.659 0.058 -8.058 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.345 1.232 -6.910 1.00 0.00 H new ATOM 1167 N PRO A 72 102.936 2.687 -11.689 1.00 0.00 N ATOM 1168 CA PRO A 72 102.680 3.494 -12.897 1.00 0.00 C ATOM 1169 C PRO A 72 101.424 4.354 -12.717 1.00 0.00 C ATOM 1170 O PRO A 72 101.491 5.451 -12.198 1.00 0.00 O ATOM 1171 CB PRO A 72 102.474 2.444 -13.992 1.00 0.00 C ATOM 1172 CG PRO A 72 102.058 1.140 -13.272 1.00 0.00 C ATOM 1173 CD PRO A 72 102.525 1.275 -11.811 1.00 0.00 C ATOM 0 HA PRO A 72 103.488 4.189 -13.126 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.704 2.762 -14.695 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.389 2.296 -14.566 1.00 0.00 H new ATOM 0 HG2 PRO A 72 100.979 0.997 -13.322 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.516 0.272 -13.747 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.724 1.032 -11.113 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.352 0.600 -11.594 1.00 0.00 H new ATOM 1181 N HIS A 73 100.278 3.875 -13.140 1.00 0.00 N ATOM 1182 CA HIS A 73 99.041 4.693 -12.981 1.00 0.00 C ATOM 1183 C HIS A 73 98.908 5.099 -11.508 1.00 0.00 C ATOM 1184 O HIS A 73 98.360 4.391 -10.696 1.00 0.00 O ATOM 1185 CB HIS A 73 97.811 3.899 -13.473 1.00 0.00 C ATOM 1186 CG HIS A 73 97.336 2.904 -12.443 1.00 0.00 C ATOM 1187 ND1 HIS A 73 96.073 2.524 -12.058 1.00 0.00 N flip ATOM 1188 CD2 HIS A 73 98.206 2.159 -11.662 1.00 0.00 C flip ATOM 1189 CE1 HIS A 73 96.153 1.563 -11.055 1.00 0.00 C flip ATOM 1190 NE2 HIS A 73 97.459 1.380 -10.849 1.00 0.00 N flip ATOM 0 H HIS A 73 100.149 2.965 -13.582 1.00 0.00 H new ATOM 0 HA HIS A 73 99.102 5.597 -13.587 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.003 4.591 -13.709 1.00 0.00 H new ATOM 0 HB3 HIS A 73 98.062 3.375 -14.395 1.00 0.00 H new ATOM 0 HD1 HIS A 73 95.206 2.892 -12.449 1.00 0.00 H new ATOM 0 HD2 HIS A 73 99.285 2.195 -11.697 1.00 0.00 H new ATOM 0 HE1 HIS A 73 95.334 1.071 -10.551 1.00 0.00 H new ATOM 1198 N ARG A 74 99.447 6.240 -11.168 1.00 0.00 N ATOM 1199 CA ARG A 74 99.407 6.722 -9.753 1.00 0.00 C ATOM 1200 C ARG A 74 98.092 6.339 -9.070 1.00 0.00 C ATOM 1201 O ARG A 74 97.036 6.344 -9.673 1.00 0.00 O ATOM 1202 CB ARG A 74 99.556 8.245 -9.738 1.00 0.00 C ATOM 1203 CG ARG A 74 98.560 8.865 -10.720 1.00 0.00 C ATOM 1204 CD ARG A 74 97.660 9.854 -9.978 1.00 0.00 C ATOM 1205 NE ARG A 74 96.844 10.618 -10.964 1.00 0.00 N ATOM 1206 CZ ARG A 74 97.027 11.901 -11.108 1.00 0.00 C ATOM 1207 NH1 ARG A 74 98.212 12.362 -11.404 1.00 0.00 N ATOM 1208 NH2 ARG A 74 96.026 12.725 -10.959 1.00 0.00 N ATOM 0 H ARG A 74 99.920 6.868 -11.818 1.00 0.00 H new ATOM 0 HA ARG A 74 100.225 6.252 -9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 74 99.379 8.628 -8.733 1.00 0.00 H new ATOM 0 HB3 ARG A 74 100.574 8.524 -10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.094 9.374 -11.523 1.00 0.00 H new ATOM 0 HG3 ARG A 74 97.956 8.085 -11.183 1.00 0.00 H new ATOM 0 HD2 ARG A 74 97.008 9.321 -9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 74 98.266 10.538 -9.383 1.00 0.00 H new ATOM 0 HE ARG A 74 96.142 10.137 -11.526 1.00 0.00 H new ATOM 0 HH11 ARG A 74 98.995 11.719 -11.523 1.00 0.00 H new ATOM 0 HH12 ARG A 74 98.355 13.366 -11.517 1.00 0.00 H new ATOM 0 HH21 ARG A 74 95.099 12.366 -10.730 1.00 0.00 H new ATOM 0 HH22 ARG A 74 96.170 13.728 -11.072 1.00 0.00 H new ATOM 1222 N HIS A 75 98.155 6.026 -7.802 1.00 0.00 N ATOM 1223 CA HIS A 75 96.921 5.658 -7.045 1.00 0.00 C ATOM 1224 C HIS A 75 97.010 6.265 -5.655 1.00 0.00 C ATOM 1225 O HIS A 75 98.085 6.413 -5.107 1.00 0.00 O ATOM 1226 CB HIS A 75 96.810 4.141 -6.858 1.00 0.00 C ATOM 1227 CG HIS A 75 97.988 3.442 -7.456 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.009 3.019 -8.766 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.186 3.067 -6.921 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.194 2.415 -8.972 1.00 0.00 C ATOM 1231 NE2 HIS A 75 99.944 2.419 -7.876 1.00 0.00 N ATOM 0 H HIS A 75 99.015 6.009 -7.254 1.00 0.00 H new ATOM 0 HA HIS A 75 96.061 6.022 -7.606 1.00 0.00 H new ATOM 0 HB2 HIS A 75 96.743 3.905 -5.796 1.00 0.00 H new ATOM 0 HB3 HIS A 75 95.893 3.779 -7.323 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.265 3.141 -9.453 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.495 3.250 -5.902 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.498 1.980 -9.913 1.00 0.00 H new ATOM 1239 N ARG A 76 95.905 6.573 -5.046 1.00 0.00 N ATOM 1240 CA ARG A 76 95.987 7.107 -3.671 1.00 0.00 C ATOM 1241 C ARG A 76 96.773 6.080 -2.859 1.00 0.00 C ATOM 1242 O ARG A 76 96.439 4.904 -2.839 1.00 0.00 O ATOM 1243 CB ARG A 76 94.584 7.276 -3.085 1.00 0.00 C ATOM 1244 CG ARG A 76 94.550 8.523 -2.200 1.00 0.00 C ATOM 1245 CD ARG A 76 93.509 9.505 -2.741 1.00 0.00 C ATOM 1246 NE ARG A 76 92.146 8.936 -2.550 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.093 9.674 -2.774 1.00 0.00 C ATOM 1248 NH1 ARG A 76 91.035 10.887 -2.297 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.100 9.199 -3.473 1.00 0.00 N ATOM 0 H ARG A 76 94.966 6.480 -5.434 1.00 0.00 H new ATOM 0 HA ARG A 76 96.471 8.083 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 76 93.851 7.366 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.313 6.396 -2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.306 8.247 -1.174 1.00 0.00 H new ATOM 0 HG3 ARG A 76 95.533 8.994 -2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 76 93.592 10.461 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.690 9.698 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 76 92.035 7.969 -2.244 1.00 0.00 H new ATOM 0 HH11 ARG A 76 91.812 11.258 -1.750 1.00 0.00 H new ATOM 0 HH12 ARG A 76 90.213 11.465 -2.471 1.00 0.00 H new ATOM 0 HH21 ARG A 76 90.146 8.250 -3.845 1.00 0.00 H new ATOM 0 HH22 ARG A 76 89.277 9.776 -3.648 1.00 0.00 H new ATOM 1263 N VAL A 77 97.833 6.477 -2.217 1.00 0.00 N ATOM 1264 CA VAL A 77 98.606 5.469 -1.460 1.00 0.00 C ATOM 1265 C VAL A 77 97.696 4.848 -0.397 1.00 0.00 C ATOM 1266 O VAL A 77 97.985 3.801 0.145 1.00 0.00 O ATOM 1267 CB VAL A 77 99.873 6.100 -0.855 1.00 0.00 C ATOM 1268 CG1 VAL A 77 100.219 5.439 0.487 1.00 0.00 C ATOM 1269 CG2 VAL A 77 101.045 5.896 -1.836 1.00 0.00 C ATOM 0 H VAL A 77 98.188 7.433 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 77 98.946 4.676 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 77 99.696 7.162 -0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 77 101.118 5.899 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 77 99.391 5.574 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 77 100.394 4.374 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 77 101.950 6.339 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 77 101.204 4.830 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.811 6.375 -2.787 1.00 0.00 H new ATOM 1279 N SER A 78 96.577 5.464 -0.128 1.00 0.00 N ATOM 1280 CA SER A 78 95.634 4.879 0.858 1.00 0.00 C ATOM 1281 C SER A 78 94.897 3.728 0.169 1.00 0.00 C ATOM 1282 O SER A 78 94.607 2.708 0.762 1.00 0.00 O ATOM 1283 CB SER A 78 94.629 5.940 1.308 1.00 0.00 C ATOM 1284 OG SER A 78 93.375 5.322 1.563 1.00 0.00 O ATOM 0 H SER A 78 96.279 6.344 -0.549 1.00 0.00 H new ATOM 0 HA SER A 78 96.172 4.520 1.735 1.00 0.00 H new ATOM 0 HB2 SER A 78 94.990 6.441 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 78 94.521 6.704 0.538 1.00 0.00 H new ATOM 0 HG SER A 78 93.025 5.635 2.423 1.00 0.00 H new ATOM 1290 N ALA A 79 94.604 3.891 -1.096 1.00 0.00 N ATOM 1291 CA ALA A 79 93.901 2.819 -1.857 1.00 0.00 C ATOM 1292 C ALA A 79 94.746 1.546 -1.839 1.00 0.00 C ATOM 1293 O ALA A 79 94.283 0.492 -1.453 1.00 0.00 O ATOM 1294 CB ALA A 79 93.702 3.268 -3.306 1.00 0.00 C ATOM 0 H ALA A 79 94.824 4.728 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 79 92.932 2.625 -1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.188 2.484 -3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.104 4.179 -3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.672 3.461 -3.764 1.00 0.00 H new ATOM 1300 N ILE A 80 95.986 1.631 -2.248 1.00 0.00 N ATOM 1301 CA ILE A 80 96.848 0.413 -2.238 1.00 0.00 C ATOM 1302 C ILE A 80 97.074 -0.009 -0.790 1.00 0.00 C ATOM 1303 O ILE A 80 97.227 -1.174 -0.489 1.00 0.00 O ATOM 1304 CB ILE A 80 98.197 0.704 -2.886 1.00 0.00 C ATOM 1305 CG1 ILE A 80 97.970 1.363 -4.268 1.00 0.00 C ATOM 1306 CG2 ILE A 80 98.982 -0.610 -3.007 1.00 0.00 C ATOM 1307 CD1 ILE A 80 98.748 0.634 -5.373 1.00 0.00 C ATOM 0 H ILE A 80 96.435 2.483 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 80 96.354 -0.380 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 80 98.777 1.397 -2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 80 96.906 1.356 -4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 80 98.281 2.407 -4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 80 99.949 -0.415 -3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.133 -1.036 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 80 98.421 -1.314 -3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 80 98.566 1.123 -6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 80 99.814 0.664 -5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.417 -0.403 -5.427 1.00 0.00 H new ATOM 1319 N ASN A 81 97.086 0.932 0.118 1.00 0.00 N ATOM 1320 CA ASN A 81 97.285 0.569 1.547 1.00 0.00 C ATOM 1321 C ASN A 81 96.275 -0.520 1.894 1.00 0.00 C ATOM 1322 O ASN A 81 96.466 -1.303 2.800 1.00 0.00 O ATOM 1323 CB ASN A 81 97.053 1.800 2.430 1.00 0.00 C ATOM 1324 CG ASN A 81 96.856 1.362 3.883 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.808 1.053 4.572 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.650 1.323 4.382 1.00 0.00 N ATOM 0 H ASN A 81 96.967 1.928 -0.069 1.00 0.00 H new ATOM 0 HA ASN A 81 98.301 0.212 1.715 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.903 2.478 2.356 1.00 0.00 H new ATOM 0 HB3 ASN A 81 96.177 2.348 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.508 1.033 5.350 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.850 1.582 3.804 1.00 0.00 H new ATOM 1333 N ASN A 82 95.200 -0.576 1.156 1.00 0.00 N ATOM 1334 CA ASN A 82 94.169 -1.615 1.410 1.00 0.00 C ATOM 1335 C ASN A 82 94.721 -2.972 0.978 1.00 0.00 C ATOM 1336 O ASN A 82 94.582 -3.959 1.674 1.00 0.00 O ATOM 1337 CB ASN A 82 92.913 -1.285 0.601 1.00 0.00 C ATOM 1338 CG ASN A 82 91.801 -2.279 0.942 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.937 -3.073 1.851 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.699 -2.267 0.243 1.00 0.00 N ATOM 0 H ASN A 82 94.993 0.058 0.384 1.00 0.00 H new ATOM 0 HA ASN A 82 93.916 -1.644 2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 82 92.585 -0.269 0.820 1.00 0.00 H new ATOM 0 HB3 ASN A 82 93.135 -1.325 -0.465 1.00 0.00 H new ATOM 0 HD21 ASN A 82 89.950 -2.925 0.460 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.586 -1.600 -0.520 1.00 0.00 H new ATOM 1347 N TYR A 83 95.356 -3.033 -0.164 1.00 0.00 N ATOM 1348 CA TYR A 83 95.921 -4.336 -0.622 1.00 0.00 C ATOM 1349 C TYR A 83 97.033 -4.766 0.343 1.00 0.00 C ATOM 1350 O TYR A 83 97.051 -5.881 0.825 1.00 0.00 O ATOM 1351 CB TYR A 83 96.482 -4.180 -2.045 1.00 0.00 C ATOM 1352 CG TYR A 83 97.475 -5.286 -2.347 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.326 -6.549 -1.760 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.550 -5.041 -3.210 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.250 -7.561 -2.033 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.473 -6.055 -3.483 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.324 -7.315 -2.894 1.00 0.00 C ATOM 1358 OH TYR A 83 100.236 -8.314 -3.163 1.00 0.00 O ATOM 0 H TYR A 83 95.507 -2.245 -0.794 1.00 0.00 H new ATOM 0 HA TYR A 83 95.141 -5.097 -0.634 1.00 0.00 H new ATOM 0 HB2 TYR A 83 95.667 -4.207 -2.769 1.00 0.00 H new ATOM 0 HB3 TYR A 83 96.967 -3.209 -2.147 1.00 0.00 H new ATOM 0 HD1 TYR A 83 96.496 -6.741 -1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 83 98.666 -4.068 -3.665 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.135 -8.534 -1.579 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.302 -5.865 -4.149 1.00 0.00 H new ATOM 0 HH TYR A 83 101.122 -7.919 -3.301 1.00 0.00 H new ATOM 1368 N ALA A 84 97.965 -3.896 0.623 1.00 0.00 N ATOM 1369 CA ALA A 84 99.076 -4.262 1.548 1.00 0.00 C ATOM 1370 C ALA A 84 98.542 -4.409 2.973 1.00 0.00 C ATOM 1371 O ALA A 84 99.155 -5.037 3.813 1.00 0.00 O ATOM 1372 CB ALA A 84 100.144 -3.167 1.514 1.00 0.00 C ATOM 0 H ALA A 84 98.005 -2.947 0.251 1.00 0.00 H new ATOM 0 HA ALA A 84 99.510 -5.210 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 84 100.958 -3.431 2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.531 -3.068 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.705 -2.220 1.829 1.00 0.00 H new ATOM 1378 N GLN A 85 97.405 -3.837 3.259 1.00 0.00 N ATOM 1379 CA GLN A 85 96.845 -3.948 4.635 1.00 0.00 C ATOM 1380 C GLN A 85 96.263 -5.346 4.839 1.00 0.00 C ATOM 1381 O GLN A 85 96.481 -5.975 5.856 1.00 0.00 O ATOM 1382 CB GLN A 85 95.745 -2.902 4.827 1.00 0.00 C ATOM 1383 CG GLN A 85 96.349 -1.623 5.412 1.00 0.00 C ATOM 1384 CD GLN A 85 96.927 -1.918 6.796 1.00 0.00 C ATOM 1385 OE1 GLN A 85 96.563 -2.891 7.425 1.00 0.00 O ATOM 1386 NE2 GLN A 85 97.821 -1.110 7.298 1.00 0.00 N ATOM 0 H GLN A 85 96.841 -3.299 2.601 1.00 0.00 H new ATOM 0 HA GLN A 85 97.638 -3.776 5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 85 95.264 -2.686 3.873 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.973 -3.289 5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 85 97.130 -1.243 4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.586 -0.847 5.483 1.00 0.00 H new ATOM 0 HE21 GLN A 85 98.125 -0.293 6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 85 98.215 -1.295 8.220 1.00 0.00 H new ATOM 1395 N LYS A 86 95.533 -5.848 3.880 1.00 0.00 N ATOM 1396 CA LYS A 86 94.956 -7.212 4.032 1.00 0.00 C ATOM 1397 C LYS A 86 96.080 -8.177 4.404 1.00 0.00 C ATOM 1398 O LYS A 86 95.851 -9.233 4.961 1.00 0.00 O ATOM 1399 CB LYS A 86 94.314 -7.649 2.713 1.00 0.00 C ATOM 1400 CG LYS A 86 92.790 -7.578 2.835 1.00 0.00 C ATOM 1401 CD LYS A 86 92.189 -7.131 1.500 1.00 0.00 C ATOM 1402 CE LYS A 86 90.767 -7.681 1.371 1.00 0.00 C ATOM 1403 NZ LYS A 86 89.786 -6.592 1.646 1.00 0.00 N ATOM 0 H LYS A 86 95.313 -5.375 3.003 1.00 0.00 H new ATOM 0 HA LYS A 86 94.194 -7.211 4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 86 94.654 -7.006 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.622 -8.665 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.392 -8.553 3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.510 -6.879 3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.176 -6.043 1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.805 -7.488 0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 86 90.610 -8.082 0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 86 90.619 -8.504 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 88.819 -6.965 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 89.931 -6.229 2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 89.923 -5.821 0.962 1.00 0.00 H new ATOM 1417 N LEU A 87 97.297 -7.814 4.101 1.00 0.00 N ATOM 1418 CA LEU A 87 98.448 -8.694 4.434 1.00 0.00 C ATOM 1419 C LEU A 87 98.967 -8.344 5.832 1.00 0.00 C ATOM 1420 O LEU A 87 100.128 -8.041 6.015 1.00 0.00 O ATOM 1421 CB LEU A 87 99.560 -8.483 3.405 1.00 0.00 C ATOM 1422 CG LEU A 87 98.968 -8.558 1.998 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.660 -7.534 1.097 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.182 -9.962 1.430 1.00 0.00 C ATOM 0 H LEU A 87 97.542 -6.941 3.635 1.00 0.00 H new ATOM 0 HA LEU A 87 98.131 -9.737 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.036 -7.515 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.333 -9.242 3.527 1.00 0.00 H new ATOM 0 HG LEU A 87 97.901 -8.341 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.238 -7.588 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.509 -6.533 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.727 -7.750 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 87 98.760 -10.017 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.249 -10.178 1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.689 -10.693 2.071 1.00 0.00 H new ATOM 1436 N CYS A 88 98.112 -8.383 6.818 1.00 0.00 N ATOM 1437 CA CYS A 88 98.553 -8.056 8.204 1.00 0.00 C ATOM 1438 C CYS A 88 98.154 -9.197 9.144 1.00 0.00 C ATOM 1439 O CYS A 88 97.906 -8.992 10.316 1.00 0.00 O ATOM 1440 CB CYS A 88 97.883 -6.759 8.662 1.00 0.00 C ATOM 1441 SG CYS A 88 96.084 -6.956 8.604 1.00 0.00 S ATOM 0 H CYS A 88 97.126 -8.627 6.723 1.00 0.00 H new ATOM 0 HA CYS A 88 99.635 -7.929 8.222 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.200 -6.511 9.675 1.00 0.00 H new ATOM 0 HB3 CYS A 88 98.190 -5.933 8.021 1.00 0.00 H new ATOM 0 HG CYS A 88 95.647 -6.608 7.430 1.00 0.00 H new ATOM 1447 N THR A 89 98.089 -10.397 8.636 1.00 0.00 N ATOM 1448 CA THR A 89 97.704 -11.556 9.494 1.00 0.00 C ATOM 1449 C THR A 89 98.951 -12.367 9.837 1.00 0.00 C ATOM 1450 O THR A 89 99.384 -12.420 10.971 1.00 0.00 O ATOM 1451 CB THR A 89 96.716 -12.436 8.729 1.00 0.00 C ATOM 1452 OG1 THR A 89 97.197 -12.658 7.410 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.366 -11.731 8.658 1.00 0.00 C ATOM 0 H THR A 89 98.286 -10.626 7.662 1.00 0.00 H new ATOM 0 HA THR A 89 97.241 -11.199 10.414 1.00 0.00 H new ATOM 0 HB THR A 89 96.608 -13.391 9.242 1.00 0.00 H new ATOM 0 HG1 THR A 89 96.563 -13.224 6.922 1.00 0.00 H new ATOM 0 HG21 THR A 89 94.658 -12.355 8.113 1.00 0.00 H new ATOM 0 HG22 THR A 89 94.993 -11.556 9.667 1.00 0.00 H new ATOM 0 HG23 THR A 89 95.480 -10.777 8.143 1.00 0.00 H new ATOM 1461 N PHE A 90 99.532 -12.989 8.855 1.00 0.00 N ATOM 1462 CA PHE A 90 100.762 -13.796 9.083 1.00 0.00 C ATOM 1463 C PHE A 90 101.878 -12.958 9.732 1.00 0.00 C ATOM 1464 O PHE A 90 102.897 -13.490 10.126 1.00 0.00 O ATOM 1465 CB PHE A 90 101.266 -14.374 7.749 1.00 0.00 C ATOM 1466 CG PHE A 90 101.322 -13.326 6.640 1.00 0.00 C ATOM 1467 CD1 PHE A 90 100.940 -11.987 6.855 1.00 0.00 C ATOM 1468 CD2 PHE A 90 101.763 -13.716 5.367 1.00 0.00 C ATOM 1469 CE1 PHE A 90 101.002 -11.062 5.809 1.00 0.00 C ATOM 1470 CE2 PHE A 90 101.824 -12.784 4.323 1.00 0.00 C ATOM 1471 CZ PHE A 90 101.443 -11.457 4.545 1.00 0.00 C ATOM 0 H PHE A 90 99.204 -12.974 7.889 1.00 0.00 H new ATOM 0 HA PHE A 90 100.504 -14.606 9.765 1.00 0.00 H new ATOM 0 HB2 PHE A 90 102.259 -14.799 7.893 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.612 -15.190 7.440 1.00 0.00 H new ATOM 0 HD1 PHE A 90 100.598 -11.674 7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.057 -14.740 5.191 1.00 0.00 H new ATOM 0 HE1 PHE A 90 100.707 -10.037 5.980 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.166 -13.091 3.345 1.00 0.00 H new ATOM 0 HZ PHE A 90 101.490 -10.739 3.740 1.00 0.00 H new ATOM 1481 N SER A 91 101.713 -11.666 9.861 1.00 0.00 N ATOM 1482 CA SER A 91 102.788 -10.848 10.495 1.00 0.00 C ATOM 1483 C SER A 91 102.362 -9.378 10.545 1.00 0.00 C ATOM 1484 O SER A 91 101.333 -9.001 10.025 1.00 0.00 O ATOM 1485 CB SER A 91 104.074 -10.976 9.680 1.00 0.00 C ATOM 1486 OG SER A 91 105.167 -11.198 10.561 1.00 0.00 O ATOM 0 H SER A 91 100.889 -11.147 9.558 1.00 0.00 H new ATOM 0 HA SER A 91 102.960 -11.208 11.510 1.00 0.00 H new ATOM 0 HB2 SER A 91 103.989 -11.800 8.972 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.240 -10.071 9.096 1.00 0.00 H new ATOM 0 HG SER A 91 105.591 -12.055 10.347 1.00 0.00 H new ATOM 1492 N PHE A 92 103.153 -8.548 11.170 1.00 0.00 N ATOM 1493 CA PHE A 92 102.804 -7.101 11.257 1.00 0.00 C ATOM 1494 C PHE A 92 103.025 -6.446 9.891 1.00 0.00 C ATOM 1495 O PHE A 92 103.812 -6.913 9.095 1.00 0.00 O ATOM 1496 CB PHE A 92 103.696 -6.428 12.306 1.00 0.00 C ATOM 1497 CG PHE A 92 105.077 -6.200 11.733 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.341 -5.050 10.981 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.093 -7.140 11.950 1.00 0.00 C ATOM 1500 CE1 PHE A 92 106.615 -4.837 10.448 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.367 -6.927 11.415 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.630 -5.774 10.664 1.00 0.00 C ATOM 0 H PHE A 92 104.027 -8.810 11.625 1.00 0.00 H new ATOM 0 HA PHE A 92 101.759 -6.988 11.547 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.258 -5.478 12.614 1.00 0.00 H new ATOM 0 HB3 PHE A 92 103.760 -7.053 13.197 1.00 0.00 H new ATOM 0 HD1 PHE A 92 104.558 -4.325 10.812 1.00 0.00 H new ATOM 0 HD2 PHE A 92 105.892 -8.029 12.530 1.00 0.00 H new ATOM 0 HE1 PHE A 92 106.816 -3.948 9.869 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.150 -7.652 11.581 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.615 -5.609 10.253 1.00 0.00 H new ATOM 1512 N LEU A 93 102.343 -5.368 9.612 1.00 0.00 N ATOM 1513 CA LEU A 93 102.531 -4.700 8.293 1.00 0.00 C ATOM 1514 C LEU A 93 102.710 -3.192 8.492 1.00 0.00 C ATOM 1515 O LEU A 93 102.019 -2.567 9.271 1.00 0.00 O ATOM 1516 CB LEU A 93 101.305 -4.956 7.411 1.00 0.00 C ATOM 1517 CG LEU A 93 101.374 -4.073 6.162 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.549 -4.949 4.921 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.078 -3.271 6.038 1.00 0.00 C ATOM 0 H LEU A 93 101.669 -4.924 10.235 1.00 0.00 H new ATOM 0 HA LEU A 93 103.420 -5.106 7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.265 -6.007 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.393 -4.743 7.969 1.00 0.00 H new ATOM 0 HG LEU A 93 102.221 -3.392 6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.598 -4.318 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.471 -5.524 5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.703 -5.631 4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.124 -2.641 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.233 -3.955 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.952 -2.644 6.921 1.00 0.00 H new ATOM 1531 N ILE A 94 103.632 -2.608 7.776 1.00 0.00 N ATOM 1532 CA ILE A 94 103.865 -1.141 7.898 1.00 0.00 C ATOM 1533 C ILE A 94 103.864 -0.529 6.497 1.00 0.00 C ATOM 1534 O ILE A 94 104.817 0.102 6.083 1.00 0.00 O ATOM 1535 CB ILE A 94 105.221 -0.881 8.559 1.00 0.00 C ATOM 1536 CG1 ILE A 94 105.570 -2.030 9.510 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.161 0.431 9.343 1.00 0.00 C ATOM 1538 CD1 ILE A 94 104.705 -1.945 10.766 1.00 0.00 C ATOM 0 H ILE A 94 104.237 -3.087 7.109 1.00 0.00 H new ATOM 0 HA ILE A 94 103.080 -0.695 8.508 1.00 0.00 H new ATOM 0 HB ILE A 94 105.988 -0.813 7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 94 105.411 -2.987 9.012 1.00 0.00 H new ATOM 0 HG13 ILE A 94 106.625 -1.983 9.780 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.126 0.618 9.814 1.00 0.00 H new ATOM 0 HG22 ILE A 94 104.924 1.250 8.664 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.390 0.361 10.110 1.00 0.00 H new ATOM 0 HD11 ILE A 94 104.958 -2.765 11.438 1.00 0.00 H new ATOM 0 HD12 ILE A 94 104.886 -0.995 11.269 1.00 0.00 H new ATOM 0 HD13 ILE A 94 103.653 -2.015 10.489 1.00 0.00 H new ATOM 1550 N CYS A 95 102.809 -0.725 5.757 1.00 0.00 N ATOM 1551 CA CYS A 95 102.754 -0.172 4.375 1.00 0.00 C ATOM 1552 C CYS A 95 102.321 1.295 4.409 1.00 0.00 C ATOM 1553 O CYS A 95 101.348 1.652 5.042 1.00 0.00 O ATOM 1554 CB CYS A 95 101.754 -0.979 3.543 1.00 0.00 C ATOM 1555 SG CYS A 95 101.505 -0.169 1.944 1.00 0.00 S ATOM 0 H CYS A 95 101.982 -1.245 6.050 1.00 0.00 H new ATOM 0 HA CYS A 95 103.745 -0.239 3.927 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.124 -1.994 3.395 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.805 -1.060 4.073 1.00 0.00 H new ATOM 0 HG CYS A 95 100.522 0.677 2.034 1.00 0.00 H new ATOM 1561 N LYS A 96 103.034 2.148 3.721 1.00 0.00 N ATOM 1562 CA LYS A 96 102.658 3.590 3.704 1.00 0.00 C ATOM 1563 C LYS A 96 103.123 4.221 2.389 1.00 0.00 C ATOM 1564 O LYS A 96 103.666 3.556 1.529 1.00 0.00 O ATOM 1565 CB LYS A 96 103.321 4.308 4.881 1.00 0.00 C ATOM 1566 CG LYS A 96 104.840 4.220 4.737 1.00 0.00 C ATOM 1567 CD LYS A 96 105.505 4.649 6.045 1.00 0.00 C ATOM 1568 CE LYS A 96 106.864 5.283 5.743 1.00 0.00 C ATOM 1569 NZ LYS A 96 107.461 4.626 4.545 1.00 0.00 N ATOM 0 H LYS A 96 103.859 1.908 3.171 1.00 0.00 H new ATOM 0 HA LYS A 96 101.575 3.684 3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 96 103.007 5.351 4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 96 103.007 3.855 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 96 105.133 3.201 4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 96 105.176 4.859 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 96 104.869 5.360 6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 96 105.631 3.787 6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 96 106.748 6.352 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 96 107.528 5.173 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 108.475 4.851 4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 107.338 3.596 4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 106.987 4.972 3.687 1.00 0.00 H new ATOM 1583 N GLY A 97 102.915 5.500 2.224 1.00 0.00 N ATOM 1584 CA GLY A 97 103.345 6.168 0.962 1.00 0.00 C ATOM 1585 C GLY A 97 104.694 6.854 1.177 1.00 0.00 C ATOM 1586 O GLY A 97 105.165 6.983 2.290 1.00 0.00 O ATOM 0 H GLY A 97 102.467 6.110 2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.423 5.435 0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.599 6.900 0.654 1.00 0.00 H new ATOM 1590 N VAL A 98 105.321 7.296 0.122 1.00 0.00 N ATOM 1591 CA VAL A 98 106.640 7.972 0.276 1.00 0.00 C ATOM 1592 C VAL A 98 106.656 9.263 -0.545 1.00 0.00 C ATOM 1593 O VAL A 98 106.141 9.319 -1.643 1.00 0.00 O ATOM 1594 CB VAL A 98 107.751 7.043 -0.219 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.106 7.727 -0.038 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.724 5.743 0.588 1.00 0.00 C ATOM 0 H VAL A 98 104.979 7.219 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 98 106.802 8.209 1.328 1.00 0.00 H new ATOM 0 HB VAL A 98 107.595 6.820 -1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.897 7.066 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.125 8.654 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.263 7.950 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.515 5.080 0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 98 107.880 5.967 1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.758 5.255 0.460 1.00 0.00 H new ATOM 1606 N ASN A 99 107.249 10.300 -0.019 1.00 0.00 N ATOM 1607 CA ASN A 99 107.303 11.588 -0.767 1.00 0.00 C ATOM 1608 C ASN A 99 108.710 11.784 -1.339 1.00 0.00 C ATOM 1609 O ASN A 99 108.999 12.782 -1.970 1.00 0.00 O ATOM 1610 CB ASN A 99 106.974 12.744 0.181 1.00 0.00 C ATOM 1611 CG ASN A 99 105.461 12.971 0.204 1.00 0.00 C ATOM 1612 OD1 ASN A 99 104.693 12.055 -0.010 1.00 0.00 O ATOM 1613 ND2 ASN A 99 104.998 14.165 0.458 1.00 0.00 N ATOM 0 H ASN A 99 107.698 10.311 0.897 1.00 0.00 H new ATOM 0 HA ASN A 99 106.577 11.567 -1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.334 12.519 1.185 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.484 13.651 -0.144 1.00 0.00 H new ATOM 0 HD21 ASN A 99 103.991 14.328 0.477 1.00 0.00 H new ATOM 0 HD22 ASN A 99 105.643 14.934 0.638 1.00 0.00 H new ATOM 1620 N LYS A 100 109.588 10.843 -1.123 1.00 0.00 N ATOM 1621 CA LYS A 100 110.975 10.980 -1.653 1.00 0.00 C ATOM 1622 C LYS A 100 111.476 9.615 -2.130 1.00 0.00 C ATOM 1623 O LYS A 100 112.385 9.042 -1.562 1.00 0.00 O ATOM 1624 CB LYS A 100 111.892 11.500 -0.546 1.00 0.00 C ATOM 1625 CG LYS A 100 111.908 13.029 -0.571 1.00 0.00 C ATOM 1626 CD LYS A 100 113.342 13.527 -0.377 1.00 0.00 C ATOM 1627 CE LYS A 100 113.622 14.671 -1.353 1.00 0.00 C ATOM 1628 NZ LYS A 100 114.947 14.458 -2.001 1.00 0.00 N ATOM 0 H LYS A 100 109.405 9.985 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 100 110.978 11.680 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.545 11.145 0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.902 11.113 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 100 111.511 13.392 -1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 100 111.265 13.423 0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 100 113.484 13.867 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 100 114.047 12.712 -0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 100 112.839 14.718 -2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 100 113.613 15.624 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 115.043 15.100 -2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 115.704 14.651 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 115.019 13.473 -2.328 1.00 0.00 H new ATOM 1642 N GLU A 101 110.890 9.091 -3.170 1.00 0.00 N ATOM 1643 CA GLU A 101 111.327 7.764 -3.687 1.00 0.00 C ATOM 1644 C GLU A 101 112.855 7.742 -3.823 1.00 0.00 C ATOM 1645 O GLU A 101 113.549 7.126 -3.039 1.00 0.00 O ATOM 1646 CB GLU A 101 110.683 7.523 -5.057 1.00 0.00 C ATOM 1647 CG GLU A 101 111.430 6.412 -5.803 1.00 0.00 C ATOM 1648 CD GLU A 101 111.272 5.091 -5.051 1.00 0.00 C ATOM 1649 OE1 GLU A 101 110.636 5.096 -4.010 1.00 0.00 O ATOM 1650 OE2 GLU A 101 111.789 4.095 -5.530 1.00 0.00 O ATOM 0 H GLU A 101 110.125 9.526 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 101 111.019 6.980 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 101 109.636 7.247 -4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 101 110.702 8.442 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 101 111.039 6.314 -6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 101 112.486 6.667 -5.892 1.00 0.00 H new ATOM 1657 N TYR A 102 113.372 8.396 -4.827 1.00 0.00 N ATOM 1658 CA TYR A 102 114.850 8.412 -5.046 1.00 0.00 C ATOM 1659 C TYR A 102 115.601 8.488 -3.710 1.00 0.00 C ATOM 1660 O TYR A 102 116.223 7.536 -3.282 1.00 0.00 O ATOM 1661 CB TYR A 102 115.219 9.629 -5.896 1.00 0.00 C ATOM 1662 CG TYR A 102 116.647 9.497 -6.374 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.705 9.821 -5.517 1.00 0.00 C ATOM 1664 CD2 TYR A 102 116.910 9.052 -7.675 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.028 9.702 -5.962 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.233 8.932 -8.119 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.291 9.258 -7.263 1.00 0.00 C ATOM 1668 OH TYR A 102 120.594 9.142 -7.702 1.00 0.00 O ATOM 0 H TYR A 102 112.831 8.925 -5.511 1.00 0.00 H new ATOM 0 HA TYR A 102 115.135 7.491 -5.555 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.545 9.708 -6.749 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.103 10.542 -5.312 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.502 10.163 -4.513 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.093 8.801 -8.336 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.845 9.953 -5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.437 8.588 -9.122 1.00 0.00 H new ATOM 0 HH TYR A 102 120.600 8.820 -8.628 1.00 0.00 H new ATOM 1678 N LEU A 103 115.565 9.620 -3.061 1.00 0.00 N ATOM 1679 CA LEU A 103 116.288 9.776 -1.762 1.00 0.00 C ATOM 1680 C LEU A 103 116.154 8.518 -0.902 1.00 0.00 C ATOM 1681 O LEU A 103 117.087 7.752 -0.759 1.00 0.00 O ATOM 1682 CB LEU A 103 115.712 10.965 -1.000 1.00 0.00 C ATOM 1683 CG LEU A 103 116.824 11.981 -0.750 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.817 11.414 0.263 1.00 0.00 C ATOM 1685 CD2 LEU A 103 117.557 12.274 -2.056 1.00 0.00 C ATOM 0 H LEU A 103 115.063 10.450 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 103 117.344 9.940 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.905 11.423 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.284 10.634 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 103 116.386 12.901 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 103 118.610 12.140 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 103 117.301 11.204 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 103 118.249 10.493 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.350 12.999 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.991 11.353 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 103 116.855 12.680 -2.784 1.00 0.00 H new ATOM 1697 N MET A 104 115.006 8.319 -0.310 1.00 0.00 N ATOM 1698 CA MET A 104 114.796 7.129 0.569 1.00 0.00 C ATOM 1699 C MET A 104 115.529 5.905 0.010 1.00 0.00 C ATOM 1700 O MET A 104 116.046 5.093 0.753 1.00 0.00 O ATOM 1701 CB MET A 104 113.299 6.834 0.662 1.00 0.00 C ATOM 1702 CG MET A 104 113.065 5.660 1.613 1.00 0.00 C ATOM 1703 SD MET A 104 111.880 6.150 2.891 1.00 0.00 S ATOM 1704 CE MET A 104 111.316 4.488 3.326 1.00 0.00 C ATOM 0 H MET A 104 114.198 8.935 -0.398 1.00 0.00 H new ATOM 0 HA MET A 104 115.196 7.346 1.559 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.766 7.715 1.018 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.902 6.599 -0.326 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.686 4.800 1.061 1.00 0.00 H new ATOM 0 HG3 MET A 104 114.006 5.355 2.071 1.00 0.00 H new ATOM 0 HE1 MET A 104 111.292 4.384 4.411 1.00 0.00 H new ATOM 0 HE2 MET A 104 110.316 4.326 2.923 1.00 0.00 H new ATOM 0 HE3 MET A 104 112.000 3.750 2.906 1.00 0.00 H new ATOM 1714 N TYR A 105 115.583 5.759 -1.286 1.00 0.00 N ATOM 1715 CA TYR A 105 116.289 4.579 -1.867 1.00 0.00 C ATOM 1716 C TYR A 105 117.794 4.704 -1.616 1.00 0.00 C ATOM 1717 O TYR A 105 118.430 3.786 -1.135 1.00 0.00 O ATOM 1718 CB TYR A 105 116.035 4.511 -3.374 1.00 0.00 C ATOM 1719 CG TYR A 105 116.935 3.463 -3.984 1.00 0.00 C ATOM 1720 CD1 TYR A 105 116.548 2.117 -3.978 1.00 0.00 C ATOM 1721 CD2 TYR A 105 118.163 3.834 -4.548 1.00 0.00 C ATOM 1722 CE1 TYR A 105 117.385 1.146 -4.536 1.00 0.00 C ATOM 1723 CE2 TYR A 105 119.001 2.861 -5.105 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.611 1.516 -5.098 1.00 0.00 C ATOM 1725 OH TYR A 105 119.437 0.556 -5.646 1.00 0.00 O ATOM 0 H TYR A 105 115.172 6.400 -1.965 1.00 0.00 H new ATOM 0 HA TYR A 105 115.912 3.672 -1.394 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.990 4.268 -3.568 1.00 0.00 H new ATOM 0 HB3 TYR A 105 116.226 5.482 -3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 105 115.603 1.829 -3.542 1.00 0.00 H new ATOM 0 HD2 TYR A 105 118.463 4.871 -4.553 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.084 0.109 -4.533 1.00 0.00 H new ATOM 0 HE2 TYR A 105 119.947 3.147 -5.540 1.00 0.00 H new ATOM 0 HH TYR A 105 120.248 0.982 -5.994 1.00 0.00 H new ATOM 1735 N SER A 106 118.371 5.828 -1.941 1.00 0.00 N ATOM 1736 CA SER A 106 119.835 6.002 -1.720 1.00 0.00 C ATOM 1737 C SER A 106 120.166 5.682 -0.262 1.00 0.00 C ATOM 1738 O SER A 106 121.025 4.872 0.027 1.00 0.00 O ATOM 1739 CB SER A 106 120.235 7.446 -2.031 1.00 0.00 C ATOM 1740 OG SER A 106 119.475 8.328 -1.216 1.00 0.00 O ATOM 0 H SER A 106 117.894 6.632 -2.349 1.00 0.00 H new ATOM 0 HA SER A 106 120.385 5.328 -2.377 1.00 0.00 H new ATOM 0 HB2 SER A 106 121.300 7.589 -1.847 1.00 0.00 H new ATOM 0 HB3 SER A 106 120.061 7.665 -3.085 1.00 0.00 H new ATOM 0 HG SER A 106 118.527 8.256 -1.453 1.00 0.00 H new ATOM 1746 N ALA A 107 119.488 6.309 0.659 1.00 0.00 N ATOM 1747 CA ALA A 107 119.761 6.036 2.098 1.00 0.00 C ATOM 1748 C ALA A 107 119.473 4.562 2.394 1.00 0.00 C ATOM 1749 O ALA A 107 119.998 3.992 3.329 1.00 0.00 O ATOM 1750 CB ALA A 107 118.860 6.920 2.963 1.00 0.00 C ATOM 0 H ALA A 107 118.758 6.998 0.478 1.00 0.00 H new ATOM 0 HA ALA A 107 120.805 6.256 2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 107 119.058 6.721 4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 107 119.063 7.969 2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.815 6.700 2.743 1.00 0.00 H new ATOM 1756 N LEU A 108 118.645 3.943 1.598 1.00 0.00 N ATOM 1757 CA LEU A 108 118.320 2.507 1.824 1.00 0.00 C ATOM 1758 C LEU A 108 119.475 1.636 1.325 1.00 0.00 C ATOM 1759 O LEU A 108 119.689 0.539 1.799 1.00 0.00 O ATOM 1760 CB LEU A 108 117.044 2.147 1.058 1.00 0.00 C ATOM 1761 CG LEU A 108 115.823 2.403 1.944 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.559 1.937 1.219 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.974 1.626 3.255 1.00 0.00 C ATOM 0 H LEU A 108 118.178 4.372 0.799 1.00 0.00 H new ATOM 0 HA LEU A 108 118.168 2.333 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.975 2.741 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.073 1.100 0.755 1.00 0.00 H new ATOM 0 HG LEU A 108 115.746 3.469 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.689 2.119 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.451 2.488 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.635 0.871 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.105 1.807 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 108 116.050 0.560 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.875 1.957 3.772 1.00 0.00 H new ATOM 1775 N THR A 109 120.220 2.117 0.367 1.00 0.00 N ATOM 1776 CA THR A 109 121.359 1.317 -0.167 1.00 0.00 C ATOM 1777 C THR A 109 122.589 1.516 0.721 1.00 0.00 C ATOM 1778 O THR A 109 123.486 0.698 0.743 1.00 0.00 O ATOM 1779 CB THR A 109 121.681 1.778 -1.590 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.185 3.105 -1.553 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.411 1.738 -2.442 1.00 0.00 C ATOM 0 H THR A 109 120.089 3.030 -0.069 1.00 0.00 H new ATOM 0 HA THR A 109 121.086 0.262 -0.176 1.00 0.00 H new ATOM 0 HB THR A 109 122.429 1.116 -2.026 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.812 3.575 -0.779 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.642 2.067 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 109 120.024 0.719 -2.470 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.661 2.399 -2.008 1.00 0.00 H new ATOM 1789 N ARG A 110 122.641 2.598 1.448 1.00 0.00 N ATOM 1790 CA ARG A 110 123.819 2.845 2.327 1.00 0.00 C ATOM 1791 C ARG A 110 123.499 2.403 3.756 1.00 0.00 C ATOM 1792 O ARG A 110 122.393 2.562 4.235 1.00 0.00 O ATOM 1793 CB ARG A 110 124.156 4.337 2.318 1.00 0.00 C ATOM 1794 CG ARG A 110 122.905 5.146 2.664 1.00 0.00 C ATOM 1795 CD ARG A 110 123.313 6.545 3.129 1.00 0.00 C ATOM 1796 NE ARG A 110 124.106 6.439 4.385 1.00 0.00 N ATOM 1797 CZ ARG A 110 125.375 6.743 4.382 1.00 0.00 C ATOM 1798 NH1 ARG A 110 125.812 7.716 3.631 1.00 0.00 N ATOM 1799 NH2 ARG A 110 126.206 6.072 5.133 1.00 0.00 N ATOM 0 H ARG A 110 121.921 3.320 1.472 1.00 0.00 H new ATOM 0 HA ARG A 110 124.671 2.275 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 110 124.947 4.546 3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 110 124.531 4.630 1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 110 122.253 5.217 1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 110 122.338 4.642 3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 110 123.901 7.040 2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 110 122.427 7.157 3.296 1.00 0.00 H new ATOM 0 HE ARG A 110 123.658 6.129 5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 110 125.162 8.240 3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 110 126.804 7.953 3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 110 125.863 5.312 5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 110 127.198 6.308 5.132 1.00 0.00 H new ATOM 1813 N ASP A 111 124.462 1.852 4.444 1.00 0.00 N ATOM 1814 CA ASP A 111 124.218 1.403 5.844 1.00 0.00 C ATOM 1815 C ASP A 111 123.432 2.487 6.588 1.00 0.00 C ATOM 1816 O ASP A 111 123.458 3.639 6.206 1.00 0.00 O ATOM 1817 CB ASP A 111 125.562 1.176 6.544 1.00 0.00 C ATOM 1818 CG ASP A 111 126.513 0.442 5.597 1.00 0.00 C ATOM 1819 OD1 ASP A 111 126.030 -0.160 4.652 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.709 0.493 5.834 1.00 0.00 O ATOM 0 H ASP A 111 125.408 1.693 4.096 1.00 0.00 H new ATOM 0 HA ASP A 111 123.648 0.474 5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 111 125.994 2.131 6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.416 0.594 7.454 1.00 0.00 H new ATOM 1825 N PRO A 112 122.759 2.085 7.635 1.00 0.00 N ATOM 1826 CA PRO A 112 122.730 0.684 8.095 1.00 0.00 C ATOM 1827 C PRO A 112 121.737 -0.137 7.265 1.00 0.00 C ATOM 1828 O PRO A 112 121.439 -1.272 7.583 1.00 0.00 O ATOM 1829 CB PRO A 112 122.254 0.796 9.545 1.00 0.00 C ATOM 1830 CG PRO A 112 121.499 2.143 9.654 1.00 0.00 C ATOM 1831 CD PRO A 112 121.965 3.009 8.468 1.00 0.00 C ATOM 0 HA PRO A 112 123.694 0.184 7.998 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.601 -0.037 9.805 1.00 0.00 H new ATOM 0 HB3 PRO A 112 123.098 0.767 10.234 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.421 1.986 9.619 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.719 2.634 10.602 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.118 3.416 7.915 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.563 3.856 8.804 1.00 0.00 H new ATOM 1839 N PHE A 113 121.214 0.426 6.209 1.00 0.00 N ATOM 1840 CA PHE A 113 120.236 -0.327 5.374 1.00 0.00 C ATOM 1841 C PHE A 113 120.975 -1.099 4.278 1.00 0.00 C ATOM 1842 O PHE A 113 121.572 -0.520 3.392 1.00 0.00 O ATOM 1843 CB PHE A 113 119.253 0.654 4.733 1.00 0.00 C ATOM 1844 CG PHE A 113 118.397 1.279 5.807 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.613 0.470 6.640 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.385 2.670 5.972 1.00 0.00 C ATOM 1847 CE1 PHE A 113 116.820 1.050 7.635 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.591 3.250 6.967 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.808 2.440 7.799 1.00 0.00 C ATOM 0 H PHE A 113 121.421 1.372 5.890 1.00 0.00 H new ATOM 0 HA PHE A 113 119.692 -1.031 6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.796 1.427 4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.625 0.136 4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.621 -0.603 6.513 1.00 0.00 H new ATOM 0 HD2 PHE A 113 118.989 3.295 5.331 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.217 0.425 8.277 1.00 0.00 H new ATOM 0 HE2 PHE A 113 117.582 4.323 7.094 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.195 2.888 8.567 1.00 0.00 H new ATOM 1859 N SER A 114 120.936 -2.403 4.331 1.00 0.00 N ATOM 1860 CA SER A 114 121.631 -3.214 3.292 1.00 0.00 C ATOM 1861 C SER A 114 120.666 -3.494 2.137 1.00 0.00 C ATOM 1862 O SER A 114 119.477 -3.278 2.247 1.00 0.00 O ATOM 1863 CB SER A 114 122.094 -4.538 3.901 1.00 0.00 C ATOM 1864 OG SER A 114 123.246 -4.309 4.703 1.00 0.00 O ATOM 0 H SER A 114 120.452 -2.942 5.050 1.00 0.00 H new ATOM 0 HA SER A 114 122.496 -2.664 2.920 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.297 -4.972 4.505 1.00 0.00 H new ATOM 0 HB3 SER A 114 122.323 -5.254 3.112 1.00 0.00 H new ATOM 0 HG SER A 114 123.544 -5.156 5.096 1.00 0.00 H new ATOM 1870 N VAL A 115 121.167 -3.971 1.031 1.00 0.00 N ATOM 1871 CA VAL A 115 120.272 -4.261 -0.125 1.00 0.00 C ATOM 1872 C VAL A 115 120.242 -5.769 -0.386 1.00 0.00 C ATOM 1873 O VAL A 115 121.266 -6.400 -0.557 1.00 0.00 O ATOM 1874 CB VAL A 115 120.794 -3.540 -1.370 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.751 -3.629 -2.486 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.056 -2.070 -1.035 1.00 0.00 C ATOM 0 H VAL A 115 122.155 -4.172 0.878 1.00 0.00 H new ATOM 0 HA VAL A 115 119.265 -3.912 0.103 1.00 0.00 H new ATOM 0 HB VAL A 115 121.721 -4.009 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.122 -3.116 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.562 -4.676 -2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.824 -3.159 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.428 -1.556 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.129 -1.601 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.798 -2.005 -0.239 1.00 0.00 H new ATOM 1886 N ILE A 116 119.075 -6.349 -0.418 1.00 0.00 N ATOM 1887 CA ILE A 116 118.976 -7.815 -0.668 1.00 0.00 C ATOM 1888 C ILE A 116 118.831 -8.056 -2.172 1.00 0.00 C ATOM 1889 O ILE A 116 119.724 -8.569 -2.818 1.00 0.00 O ATOM 1890 CB ILE A 116 117.752 -8.379 0.064 1.00 0.00 C ATOM 1891 CG1 ILE A 116 118.052 -8.490 1.562 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.416 -9.768 -0.484 1.00 0.00 C ATOM 1893 CD1 ILE A 116 118.668 -7.185 2.065 1.00 0.00 C ATOM 0 H ILE A 116 118.184 -5.871 -0.282 1.00 0.00 H new ATOM 0 HA ILE A 116 119.874 -8.313 -0.301 1.00 0.00 H new ATOM 0 HB ILE A 116 116.906 -7.710 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 116 117.135 -8.705 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 116 118.735 -9.319 1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.546 -10.165 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.197 -9.696 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.265 -10.434 -0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 116 118.879 -7.270 3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 116 119.595 -6.989 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 116 117.970 -6.365 1.897 1.00 0.00 H new ATOM 1905 N GLU A 117 117.712 -7.688 -2.733 1.00 0.00 N ATOM 1906 CA GLU A 117 117.506 -7.892 -4.196 1.00 0.00 C ATOM 1907 C GLU A 117 116.823 -6.655 -4.783 1.00 0.00 C ATOM 1908 O GLU A 117 116.550 -5.698 -4.086 1.00 0.00 O ATOM 1909 CB GLU A 117 116.623 -9.121 -4.419 1.00 0.00 C ATOM 1910 CG GLU A 117 115.201 -8.821 -3.942 1.00 0.00 C ATOM 1911 CD GLU A 117 114.361 -10.099 -3.997 1.00 0.00 C ATOM 1912 OE1 GLU A 117 114.307 -10.704 -5.055 1.00 0.00 O ATOM 1913 OE2 GLU A 117 113.786 -10.451 -2.980 1.00 0.00 O ATOM 0 H GLU A 117 116.930 -7.254 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 117 118.467 -8.046 -4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.615 -9.389 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 117 117.027 -9.976 -3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 117 115.223 -8.431 -2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 117 114.751 -8.051 -4.569 1.00 0.00 H new ATOM 1920 N GLU A 118 116.546 -6.659 -6.060 1.00 0.00 N ATOM 1921 CA GLU A 118 115.882 -5.475 -6.677 1.00 0.00 C ATOM 1922 C GLU A 118 115.742 -5.688 -8.185 1.00 0.00 C ATOM 1923 O GLU A 118 116.580 -6.298 -8.818 1.00 0.00 O ATOM 1924 CB GLU A 118 116.727 -4.228 -6.418 1.00 0.00 C ATOM 1925 CG GLU A 118 118.150 -4.462 -6.927 1.00 0.00 C ATOM 1926 CD GLU A 118 119.112 -4.516 -5.739 1.00 0.00 C ATOM 1927 OE1 GLU A 118 119.247 -3.508 -5.065 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.696 -5.565 -5.523 1.00 0.00 O ATOM 0 H GLU A 118 116.750 -7.427 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 118 114.893 -5.347 -6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.287 -3.367 -6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.743 -4.002 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.198 -5.394 -7.490 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.440 -3.662 -7.608 1.00 0.00 H new ATOM 1935 N SER A 119 114.688 -5.181 -8.765 1.00 0.00 N ATOM 1936 CA SER A 119 114.493 -5.345 -10.231 1.00 0.00 C ATOM 1937 C SER A 119 115.380 -4.345 -10.974 1.00 0.00 C ATOM 1938 O SER A 119 115.898 -4.630 -12.036 1.00 0.00 O ATOM 1939 CB SER A 119 113.027 -5.082 -10.579 1.00 0.00 C ATOM 1940 OG SER A 119 112.906 -4.873 -11.980 1.00 0.00 O ATOM 0 H SER A 119 113.954 -4.660 -8.285 1.00 0.00 H new ATOM 0 HA SER A 119 114.761 -6.360 -10.526 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.411 -5.927 -10.271 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.664 -4.209 -10.037 1.00 0.00 H new ATOM 0 HG SER A 119 111.967 -4.706 -12.206 1.00 0.00 H new ATOM 1946 N LEU A 120 115.561 -3.176 -10.422 1.00 0.00 N ATOM 1947 CA LEU A 120 116.417 -2.159 -11.096 1.00 0.00 C ATOM 1948 C LEU A 120 117.887 -2.425 -10.751 1.00 0.00 C ATOM 1949 O LEU A 120 118.197 -2.836 -9.651 1.00 0.00 O ATOM 1950 CB LEU A 120 116.022 -0.760 -10.614 1.00 0.00 C ATOM 1951 CG LEU A 120 114.989 -0.162 -11.570 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.300 1.029 -10.899 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.689 0.309 -12.846 1.00 0.00 C ATOM 0 H LEU A 120 115.154 -2.882 -9.534 1.00 0.00 H new ATOM 0 HA LEU A 120 116.279 -2.222 -12.175 1.00 0.00 H new ATOM 0 HB2 LEU A 120 115.611 -0.814 -9.606 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.902 -0.119 -10.566 1.00 0.00 H new ATOM 0 HG LEU A 120 114.245 -0.919 -11.820 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.564 1.455 -11.581 1.00 0.00 H new ATOM 0 HD12 LEU A 120 113.801 0.695 -9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.043 1.786 -10.649 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.954 0.735 -13.528 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.433 1.065 -12.595 1.00 0.00 H new ATOM 0 HD23 LEU A 120 116.180 -0.538 -13.325 1.00 0.00 H new ATOM 1965 N PRO A 121 118.747 -2.182 -11.707 1.00 0.00 N ATOM 1966 CA PRO A 121 120.197 -2.385 -11.540 1.00 0.00 C ATOM 1967 C PRO A 121 120.810 -1.229 -10.745 1.00 0.00 C ATOM 1968 O PRO A 121 121.821 -1.382 -10.089 1.00 0.00 O ATOM 1969 CB PRO A 121 120.725 -2.400 -12.976 1.00 0.00 C ATOM 1970 CG PRO A 121 119.676 -1.651 -13.834 1.00 0.00 C ATOM 1971 CD PRO A 121 118.357 -1.683 -13.041 1.00 0.00 C ATOM 0 HA PRO A 121 120.443 -3.294 -10.992 1.00 0.00 H new ATOM 0 HB2 PRO A 121 121.698 -1.912 -13.038 1.00 0.00 H new ATOM 0 HB3 PRO A 121 120.859 -3.422 -13.330 1.00 0.00 H new ATOM 0 HG2 PRO A 121 119.991 -0.624 -14.022 1.00 0.00 H new ATOM 0 HG3 PRO A 121 119.556 -2.131 -14.805 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.906 -0.693 -12.979 1.00 0.00 H new ATOM 0 HD3 PRO A 121 117.625 -2.338 -13.513 1.00 0.00 H new ATOM 1979 N GLY A 122 120.207 -0.074 -10.800 1.00 0.00 N ATOM 1980 CA GLY A 122 120.758 1.088 -10.049 1.00 0.00 C ATOM 1981 C GLY A 122 119.612 1.976 -9.563 1.00 0.00 C ATOM 1982 O GLY A 122 119.456 3.099 -10.002 1.00 0.00 O ATOM 0 H GLY A 122 119.357 0.115 -11.332 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.346 0.739 -9.200 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.430 1.661 -10.688 1.00 0.00 H new ATOM 1986 N GLY A 123 118.811 1.484 -8.657 1.00 0.00 N ATOM 1987 CA GLY A 123 117.675 2.302 -8.140 1.00 0.00 C ATOM 1988 C GLY A 123 116.987 3.016 -9.304 1.00 0.00 C ATOM 1989 O GLY A 123 116.689 2.422 -10.320 1.00 0.00 O ATOM 0 H GLY A 123 118.894 0.551 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 123 116.962 1.664 -7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.038 3.031 -7.416 1.00 0.00 H new ATOM 1993 N LEU A 124 116.727 4.288 -9.162 1.00 0.00 N ATOM 1994 CA LEU A 124 116.054 5.037 -10.262 1.00 0.00 C ATOM 1995 C LEU A 124 116.798 6.351 -10.516 1.00 0.00 C ATOM 1996 O LEU A 124 117.665 6.740 -9.759 1.00 0.00 O ATOM 1997 CB LEU A 124 114.606 5.348 -9.868 1.00 0.00 C ATOM 1998 CG LEU A 124 114.091 4.303 -8.874 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.104 4.889 -7.461 1.00 0.00 C ATOM 2000 CD2 LEU A 124 112.661 3.912 -9.245 1.00 0.00 C ATOM 0 H LEU A 124 116.951 4.840 -8.334 1.00 0.00 H new ATOM 0 HA LEU A 124 116.062 4.428 -11.166 1.00 0.00 H new ATOM 0 HB2 LEU A 124 114.548 6.342 -9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 124 113.974 5.358 -10.756 1.00 0.00 H new ATOM 0 HG LEU A 124 114.733 3.423 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 124 113.737 4.144 -6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 124 115.122 5.172 -7.194 1.00 0.00 H new ATOM 0 HD13 LEU A 124 113.462 5.769 -7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.292 3.168 -8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 124 112.022 4.794 -9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 124 112.648 3.494 -10.252 1.00 0.00 H new ATOM 2012 N LYS A 125 116.460 7.042 -11.571 1.00 0.00 N ATOM 2013 CA LYS A 125 117.144 8.331 -11.863 1.00 0.00 C ATOM 2014 C LYS A 125 116.101 9.369 -12.320 1.00 0.00 C ATOM 2015 O LYS A 125 115.297 9.818 -11.531 1.00 0.00 O ATOM 2016 CB LYS A 125 118.227 8.108 -12.928 1.00 0.00 C ATOM 2017 CG LYS A 125 119.363 9.120 -12.730 1.00 0.00 C ATOM 2018 CD LYS A 125 118.869 10.543 -13.016 1.00 0.00 C ATOM 2019 CE LYS A 125 118.230 11.135 -11.757 1.00 0.00 C ATOM 2020 NZ LYS A 125 118.946 12.385 -11.377 1.00 0.00 N ATOM 0 H LYS A 125 115.741 6.769 -12.241 1.00 0.00 H new ATOM 0 HA LYS A 125 117.631 8.713 -10.966 1.00 0.00 H new ATOM 0 HB2 LYS A 125 118.616 7.092 -12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 125 117.799 8.218 -13.924 1.00 0.00 H new ATOM 0 HG2 LYS A 125 119.740 9.058 -11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 125 120.194 8.877 -13.392 1.00 0.00 H new ATOM 0 HD2 LYS A 125 119.701 11.168 -13.340 1.00 0.00 H new ATOM 0 HD3 LYS A 125 118.144 10.529 -13.830 1.00 0.00 H new ATOM 0 HE2 LYS A 125 117.176 11.347 -11.937 1.00 0.00 H new ATOM 0 HE3 LYS A 125 118.275 10.415 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 118.512 12.787 -10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 119.946 12.169 -11.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 118.881 13.073 -12.155 1.00 0.00 H new ATOM 2034 N GLU A 126 116.099 9.772 -13.568 1.00 0.00 N ATOM 2035 CA GLU A 126 115.098 10.784 -14.015 1.00 0.00 C ATOM 2036 C GLU A 126 113.845 10.085 -14.549 1.00 0.00 C ATOM 2037 O GLU A 126 113.329 10.433 -15.592 1.00 0.00 O ATOM 2038 CB GLU A 126 115.708 11.650 -15.120 1.00 0.00 C ATOM 2039 CG GLU A 126 115.892 10.812 -16.386 1.00 0.00 C ATOM 2040 CD GLU A 126 117.175 11.245 -17.098 1.00 0.00 C ATOM 2041 OE1 GLU A 126 117.675 12.310 -16.777 1.00 0.00 O ATOM 2042 OE2 GLU A 126 117.632 10.505 -17.953 1.00 0.00 O ATOM 0 H GLU A 126 116.742 9.446 -14.289 1.00 0.00 H new ATOM 0 HA GLU A 126 114.822 11.410 -13.167 1.00 0.00 H new ATOM 0 HB2 GLU A 126 115.061 12.502 -15.327 1.00 0.00 H new ATOM 0 HB3 GLU A 126 116.668 12.050 -14.794 1.00 0.00 H new ATOM 0 HG2 GLU A 126 115.944 9.754 -16.131 1.00 0.00 H new ATOM 0 HG3 GLU A 126 115.035 10.939 -17.047 1.00 0.00 H new ATOM 2049 N HIS A 127 113.352 9.102 -13.849 1.00 0.00 N ATOM 2050 CA HIS A 127 112.134 8.390 -14.330 1.00 0.00 C ATOM 2051 C HIS A 127 110.880 9.065 -13.762 1.00 0.00 C ATOM 2052 O HIS A 127 110.277 9.904 -14.401 1.00 0.00 O ATOM 2053 CB HIS A 127 112.194 6.926 -13.886 1.00 0.00 C ATOM 2054 CG HIS A 127 113.470 6.312 -14.390 1.00 0.00 C ATOM 2055 ND1 HIS A 127 114.387 5.718 -13.541 1.00 0.00 N ATOM 2056 CD2 HIS A 127 114.006 6.214 -15.651 1.00 0.00 C ATOM 2057 CE1 HIS A 127 115.420 5.295 -14.291 1.00 0.00 C ATOM 2058 NE2 HIS A 127 115.239 5.571 -15.585 1.00 0.00 N ATOM 0 H HIS A 127 113.737 8.761 -12.968 1.00 0.00 H new ATOM 0 HA HIS A 127 112.091 8.432 -15.418 1.00 0.00 H new ATOM 0 HB2 HIS A 127 112.149 6.860 -12.799 1.00 0.00 H new ATOM 0 HB3 HIS A 127 111.335 6.380 -14.274 1.00 0.00 H new ATOM 0 HD2 HIS A 127 113.542 6.580 -16.555 1.00 0.00 H new ATOM 0 HE1 HIS A 127 116.290 4.793 -13.895 1.00 0.00 H new ATOM 0 HE2 HIS A 127 115.869 5.357 -16.358 1.00 0.00 H new ATOM 2066 N ASP A 128 110.479 8.709 -12.571 1.00 0.00 N ATOM 2067 CA ASP A 128 109.264 9.336 -11.976 1.00 0.00 C ATOM 2068 C ASP A 128 109.592 9.870 -10.578 1.00 0.00 C ATOM 2069 O ASP A 128 109.146 9.338 -9.581 1.00 0.00 O ATOM 2070 CB ASP A 128 108.153 8.290 -11.871 1.00 0.00 C ATOM 2071 CG ASP A 128 107.003 8.669 -12.806 1.00 0.00 C ATOM 2072 OD1 ASP A 128 106.358 9.670 -12.544 1.00 0.00 O ATOM 2073 OD2 ASP A 128 106.786 7.951 -13.769 1.00 0.00 O ATOM 0 H ASP A 128 110.940 8.012 -11.985 1.00 0.00 H new ATOM 0 HA ASP A 128 108.934 10.159 -12.610 1.00 0.00 H new ATOM 0 HB2 ASP A 128 108.540 7.306 -12.134 1.00 0.00 H new ATOM 0 HB3 ASP A 128 107.794 8.227 -10.844 1.00 0.00 H new ATOM 2078 N PHE A 129 110.366 10.919 -10.497 1.00 0.00 N ATOM 2079 CA PHE A 129 110.717 11.487 -9.161 1.00 0.00 C ATOM 2080 C PHE A 129 111.023 12.981 -9.313 1.00 0.00 C ATOM 2081 O PHE A 129 110.418 13.666 -10.114 1.00 0.00 O ATOM 2082 CB PHE A 129 111.945 10.766 -8.591 1.00 0.00 C ATOM 2083 CG PHE A 129 112.023 9.364 -9.148 1.00 0.00 C ATOM 2084 CD1 PHE A 129 111.286 8.329 -8.559 1.00 0.00 C ATOM 2085 CD2 PHE A 129 112.829 9.100 -10.261 1.00 0.00 C ATOM 2086 CE1 PHE A 129 111.355 7.036 -9.084 1.00 0.00 C ATOM 2087 CE2 PHE A 129 112.899 7.806 -10.784 1.00 0.00 C ATOM 2088 CZ PHE A 129 112.161 6.774 -10.195 1.00 0.00 C ATOM 0 H PHE A 129 110.770 11.407 -11.296 1.00 0.00 H new ATOM 0 HA PHE A 129 109.878 11.351 -8.479 1.00 0.00 H new ATOM 0 HB2 PHE A 129 112.851 11.318 -8.843 1.00 0.00 H new ATOM 0 HB3 PHE A 129 111.885 10.732 -7.503 1.00 0.00 H new ATOM 0 HD1 PHE A 129 110.664 8.530 -7.699 1.00 0.00 H new ATOM 0 HD2 PHE A 129 113.398 9.897 -10.716 1.00 0.00 H new ATOM 0 HE1 PHE A 129 110.785 6.238 -8.631 1.00 0.00 H new ATOM 0 HE2 PHE A 129 113.522 7.603 -11.642 1.00 0.00 H new ATOM 0 HZ PHE A 129 112.214 5.774 -10.599 1.00 0.00 H new ATOM 2098 N ASN A 130 111.955 13.495 -8.554 1.00 0.00 N ATOM 2099 CA ASN A 130 112.289 14.944 -8.664 1.00 0.00 C ATOM 2100 C ASN A 130 113.582 15.114 -9.473 1.00 0.00 C ATOM 2101 O ASN A 130 114.641 14.720 -9.027 1.00 0.00 O ATOM 2102 CB ASN A 130 112.490 15.527 -7.264 1.00 0.00 C ATOM 2103 CG ASN A 130 112.656 17.043 -7.364 1.00 0.00 C ATOM 2104 OD1 ASN A 130 111.728 17.747 -7.713 1.00 0.00 O ATOM 2105 ND2 ASN A 130 113.807 17.583 -7.072 1.00 0.00 N ATOM 0 H ASN A 130 112.498 12.975 -7.865 1.00 0.00 H new ATOM 0 HA ASN A 130 111.474 15.466 -9.166 1.00 0.00 H new ATOM 0 HB2 ASN A 130 111.636 15.285 -6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 130 113.369 15.084 -6.796 1.00 0.00 H new ATOM 0 HD21 ASN A 130 113.927 18.594 -7.137 1.00 0.00 H new ATOM 0 HD22 ASN A 130 114.587 16.994 -6.779 1.00 0.00 H new ATOM 2112 N PRO A 131 113.462 15.701 -10.641 1.00 0.00 N ATOM 2113 CA PRO A 131 114.614 15.940 -11.529 1.00 0.00 C ATOM 2114 C PRO A 131 115.422 17.148 -11.044 1.00 0.00 C ATOM 2115 O PRO A 131 115.094 17.768 -10.052 1.00 0.00 O ATOM 2116 CB PRO A 131 113.968 16.227 -12.887 1.00 0.00 C ATOM 2117 CG PRO A 131 112.522 16.693 -12.594 1.00 0.00 C ATOM 2118 CD PRO A 131 112.173 16.179 -11.184 1.00 0.00 C ATOM 0 HA PRO A 131 115.310 15.102 -11.562 1.00 0.00 H new ATOM 0 HB2 PRO A 131 114.522 16.996 -13.426 1.00 0.00 H new ATOM 0 HB3 PRO A 131 113.969 15.335 -13.514 1.00 0.00 H new ATOM 0 HG2 PRO A 131 112.448 17.780 -12.640 1.00 0.00 H new ATOM 0 HG3 PRO A 131 111.829 16.295 -13.335 1.00 0.00 H new ATOM 0 HD2 PRO A 131 111.750 16.970 -10.565 1.00 0.00 H new ATOM 0 HD3 PRO A 131 111.436 15.377 -11.224 1.00 0.00 H new ATOM 2126 N GLU A 132 116.475 17.487 -11.737 1.00 0.00 N ATOM 2127 CA GLU A 132 117.301 18.653 -11.315 1.00 0.00 C ATOM 2128 C GLU A 132 117.858 18.405 -9.912 1.00 0.00 C ATOM 2129 O GLU A 132 117.149 18.488 -8.927 1.00 0.00 O ATOM 2130 CB GLU A 132 116.436 19.916 -11.306 1.00 0.00 C ATOM 2131 CG GLU A 132 116.847 20.823 -12.467 1.00 0.00 C ATOM 2132 CD GLU A 132 118.008 21.718 -12.029 1.00 0.00 C ATOM 2133 OE1 GLU A 132 118.938 21.199 -11.435 1.00 0.00 O ATOM 2134 OE2 GLU A 132 117.947 22.907 -12.294 1.00 0.00 O ATOM 0 H GLU A 132 116.799 17.007 -12.577 1.00 0.00 H new ATOM 0 HA GLU A 132 118.127 18.784 -12.014 1.00 0.00 H new ATOM 0 HB2 GLU A 132 115.383 19.649 -11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 132 116.553 20.443 -10.359 1.00 0.00 H new ATOM 0 HG2 GLU A 132 117.142 20.221 -13.326 1.00 0.00 H new ATOM 0 HG3 GLU A 132 116.001 21.434 -12.782 1.00 0.00 H new ATOM 2141 N SER A 133 119.124 18.100 -9.812 1.00 0.00 N ATOM 2142 CA SER A 133 119.726 17.845 -8.473 1.00 0.00 C ATOM 2143 C SER A 133 118.987 16.692 -7.791 1.00 0.00 C ATOM 2144 O SER A 133 117.845 16.409 -8.094 1.00 0.00 O ATOM 2145 CB SER A 133 119.609 19.104 -7.613 1.00 0.00 C ATOM 2146 OG SER A 133 119.405 18.730 -6.257 1.00 0.00 O ATOM 0 H SER A 133 119.767 18.017 -10.600 1.00 0.00 H new ATOM 0 HA SER A 133 120.777 17.582 -8.593 1.00 0.00 H new ATOM 0 HB2 SER A 133 120.513 19.706 -7.704 1.00 0.00 H new ATOM 0 HB3 SER A 133 118.780 19.720 -7.961 1.00 0.00 H new ATOM 0 HG SER A 133 119.331 19.535 -5.703 1.00 0.00 H new ATOM 2152 N SER A 134 119.629 16.024 -6.873 1.00 0.00 N ATOM 2153 CA SER A 134 118.962 14.890 -6.173 1.00 0.00 C ATOM 2154 C SER A 134 117.576 15.331 -5.697 1.00 0.00 C ATOM 2155 O SER A 134 116.608 14.701 -6.093 1.00 0.00 O ATOM 2156 CB SER A 134 119.808 14.467 -4.970 1.00 0.00 C ATOM 2157 OG SER A 134 118.955 14.177 -3.870 1.00 0.00 O ATOM 2158 OXT SER A 134 117.506 16.289 -4.945 1.00 0.00 O ATOM 0 H SER A 134 120.586 16.214 -6.577 1.00 0.00 H new ATOM 0 HA SER A 134 118.859 14.048 -6.857 1.00 0.00 H new ATOM 0 HB2 SER A 134 120.405 13.591 -5.222 1.00 0.00 H new ATOM 0 HB3 SER A 134 120.505 15.262 -4.704 1.00 0.00 H new ATOM 0 HG SER A 134 119.358 14.519 -3.045 1.00 0.00 H new TER 2164 SER A 134