USER MOD reduce.3.24.130724 H: found=0, std=0, add=1284, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1284 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 100 TYR OH : rot 180:sc= 0.364 USER MOD Set 1.2: A 112 TYR OH : rot -139:sc= -1.42 USER MOD Set 1.3: A 138 ASN : amide:sc= 0.688 K(o=-0.36,f=-1.2) USER MOD Set 2.1: A 84 LYS NZ :NH3+ -108:sc= 0.476 (180deg=-0.108) USER MOD Set 2.2: A 88 TYR OH : rot 110:sc=-0.000192 USER MOD Set 3.1: A 74 ASN :FLIP amide:sc= 0.365 F(o=0.085,f=0.71) USER MOD Set 3.2: A 106 THR OG1 : rot -11:sc= 0.342 USER MOD Set 4.1: A 28 TYR OH : rot 118:sc= 0.4 USER MOD Set 4.2: A 31 ASN : amide:sc= 0.0936 K(o=0.49,f=-3.4!) USER MOD Set 5.1: A 16 ASN :FLIP amide:sc= -0.264 X(o=-0.044,f=0.17) USER MOD Set 5.2: A 19 GLN :FLIP amide:sc= 0.429 F(o=-0.47,f=0.17) USER MOD Set 6.1: A 11 MET CE :methyl -149:sc= 0 (180deg=-0.0505) USER MOD Set 6.2: A 51 ASN : amide:sc= 0.312 K(o=0.31,f=-0.24) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= 0.26 K(o=0.26,f=-1.3) USER MOD Single : A 6 HIS : no HE2:sc= 0.129 K(o=0.13,f=-0.81) USER MOD Single : A 7 HIS : no HD1:sc= -0.0559 X(o=-0.056,f=-0.057) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0857 K(o=-0.086,f=-1.1) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0182 USER MOD Single : A 20 MET CE :methyl -129:sc= -0.72 (180deg=-3.45!) USER MOD Single : A 24 HIS :FLIP no HE2:sc= 0.271 F(o=-0.93,f=0.27) USER MOD Single : A 25 MET CE :methyl 138:sc= -0.187 (180deg=-2.08!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 27 SER OG : rot -29:sc= 0.557 USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0587) USER MOD Single : A 40 TYR OH : rot 30:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.243 X(o=0.24,f=0) USER MOD Single : A 47 ASN : amide:sc= -1.09! X(o=-1.1!,f=-0.7) USER MOD Single : A 52 LYS NZ :NH3+ -141:sc= -0.641 (180deg=-2.67!) USER MOD Single : A 54 TYR OH : rot -132:sc= 0.505 USER MOD Single : A 57 THR OG1 : rot 96:sc= 0.357 USER MOD Single : A 61 HIS : no HE2:sc= -0.484 K(o=-0.48,f=-3.1!) USER MOD Single : A 63 MET CE :methyl -116:sc= -2.8 (180deg=-3.11!) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 0.559 (180deg=0.501) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -107:sc= 0.676 (180deg=0.00716) USER MOD Single : A 72 TYR OH : rot 66:sc= -0.601 USER MOD Single : A 73 HIS : no HE2:sc= -2.6 K(o=-2.6,f=-4.3!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -172:sc= 0.525 USER MOD Single : A 82 CYS SG : rot 65:sc= 0.225 USER MOD Single : A 89 ASN : amide:sc= 0.208 X(o=0.21,f=-0.069) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.2) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 101 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.53) USER MOD Single : A 102 HIS : +bothHN:sc= 0.283 K(o=0.28,f=-4.5!) USER MOD Single : A 108 SER OG : rot -150:sc= 0 USER MOD Single : A 109 SER OG : rot 170:sc= -1.54! USER MOD Single : A 118 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 122 GLN : amide:sc= -0.0011 X(o=-0.0011,f=-0.2) USER MOD Single : A 126 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.38) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 129 SER OG : rot -77:sc= 0.234 USER MOD Single : A 133 GLN : amide:sc= -0.362 K(o=-0.36,f=-1) USER MOD Single : A 137 GLN : amide:sc= 0.0187 X(o=0.019,f=0) USER MOD Single : A 139 GLN : amide:sc= -0.287 K(o=-0.29,f=-4.8!) USER MOD Single : A 147 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.2) USER MOD Single : A 149 GLN : amide:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 GLN :FLIP amide:sc= -2! C(o=-2.5!,f=-2!) USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 83:sc= 0.0905 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.667 52.840 2.069 1.00 60.22 N ATOM 2 CA MET A 1 16.087 51.412 2.061 1.00 4.34 C ATOM 3 C MET A 1 16.016 50.818 0.635 1.00 42.24 C ATOM 4 O MET A 1 17.049 50.477 0.045 1.00 45.11 O ATOM 5 CB MET A 1 15.207 50.595 3.053 1.00 75.13 C ATOM 6 CG MET A 1 15.529 49.093 3.114 1.00 51.23 C ATOM 7 SD MET A 1 17.252 48.767 3.549 1.00 33.45 S ATOM 8 CE MET A 1 17.321 46.977 3.421 1.00 51.14 C ATOM 0 H1 MET A 1 15.724 53.213 3.038 1.00 60.22 H new ATOM 0 H2 MET A 1 16.295 53.390 1.448 1.00 60.22 H new ATOM 0 H3 MET A 1 14.688 52.916 1.726 1.00 60.22 H new ATOM 0 HA MET A 1 17.126 51.353 2.386 1.00 4.34 H new ATOM 0 HB2 MET A 1 15.322 51.018 4.051 1.00 75.13 H new ATOM 0 HB3 MET A 1 14.161 50.717 2.773 1.00 75.13 H new ATOM 0 HG2 MET A 1 14.877 48.615 3.845 1.00 51.23 H new ATOM 0 HG3 MET A 1 15.310 48.639 2.147 1.00 51.23 H new ATOM 0 HE1 MET A 1 18.327 46.633 3.662 1.00 51.14 H new ATOM 0 HE2 MET A 1 16.609 46.535 4.118 1.00 51.14 H new ATOM 0 HE3 MET A 1 17.069 46.675 2.405 1.00 51.14 H new ATOM 20 N GLY A 2 14.787 50.709 0.086 1.00 23.24 N ATOM 21 CA GLY A 2 14.568 50.092 -1.232 1.00 43.34 C ATOM 22 C GLY A 2 14.607 48.558 -1.181 1.00 51.53 C ATOM 23 O GLY A 2 15.666 47.957 -1.383 1.00 11.45 O ATOM 0 H GLY A 2 13.935 51.041 0.538 1.00 23.24 H new ATOM 0 HA2 GLY A 2 13.603 50.414 -1.624 1.00 43.34 H new ATOM 0 HA3 GLY A 2 15.329 50.448 -1.926 1.00 43.34 H new ATOM 27 N HIS A 3 13.453 47.932 -0.881 1.00 43.14 N ATOM 28 CA HIS A 3 13.314 46.460 -0.838 1.00 41.31 C ATOM 29 C HIS A 3 13.334 45.862 -2.263 1.00 30.12 C ATOM 30 O HIS A 3 12.418 46.088 -3.055 1.00 31.03 O ATOM 31 CB HIS A 3 12.003 46.070 -0.105 1.00 15.21 C ATOM 32 CG HIS A 3 11.748 44.575 -0.021 1.00 14.44 C ATOM 33 ND1 HIS A 3 12.442 43.732 0.824 1.00 24.12 N ATOM 34 CD2 HIS A 3 10.894 43.772 -0.710 1.00 54.42 C ATOM 35 CE1 HIS A 3 12.030 42.493 0.646 1.00 55.22 C ATOM 36 NE2 HIS A 3 11.093 42.490 -0.274 1.00 33.41 N ATOM 0 H HIS A 3 12.590 48.430 -0.662 1.00 43.14 H new ATOM 0 HA HIS A 3 14.161 46.050 -0.288 1.00 41.31 H new ATOM 0 HB2 HIS A 3 12.032 46.478 0.905 1.00 15.21 H new ATOM 0 HB3 HIS A 3 11.163 46.541 -0.615 1.00 15.21 H new ATOM 0 HD2 HIS A 3 10.188 44.088 -1.464 1.00 54.42 H new ATOM 0 HE1 HIS A 3 12.401 41.624 1.170 1.00 55.22 H new ATOM 0 HE2 HIS A 3 10.594 41.666 -0.609 1.00 33.41 H new ATOM 45 N HIS A 4 14.392 45.099 -2.571 1.00 14.22 N ATOM 46 CA HIS A 4 14.561 44.440 -3.881 1.00 14.35 C ATOM 47 C HIS A 4 14.287 42.927 -3.734 1.00 52.03 C ATOM 48 O HIS A 4 15.074 42.204 -3.125 1.00 41.43 O ATOM 49 CB HIS A 4 15.989 44.697 -4.433 1.00 22.42 C ATOM 50 CG HIS A 4 16.430 46.143 -4.366 1.00 3.34 C ATOM 51 ND1 HIS A 4 17.647 46.529 -3.853 1.00 45.14 N ATOM 52 CD2 HIS A 4 15.815 47.294 -4.745 1.00 32.03 C ATOM 53 CE1 HIS A 4 17.760 47.838 -3.916 1.00 62.53 C ATOM 54 NE2 HIS A 4 16.667 48.328 -4.455 1.00 52.11 N ATOM 0 H HIS A 4 15.157 44.919 -1.921 1.00 14.22 H new ATOM 0 HA HIS A 4 13.848 44.857 -4.593 1.00 14.35 H new ATOM 0 HB2 HIS A 4 16.698 44.087 -3.873 1.00 22.42 H new ATOM 0 HB3 HIS A 4 16.031 44.364 -5.470 1.00 22.42 H new ATOM 0 HD2 HIS A 4 14.836 47.379 -5.192 1.00 32.03 H new ATOM 0 HE1 HIS A 4 18.610 48.414 -3.580 1.00 62.53 H new ATOM 0 HE2 HIS A 4 16.482 49.316 -4.629 1.00 52.11 H new ATOM 63 N HIS A 5 13.142 42.472 -4.268 1.00 63.24 N ATOM 64 CA HIS A 5 12.708 41.054 -4.169 1.00 61.32 C ATOM 65 C HIS A 5 13.503 40.122 -5.124 1.00 55.22 C ATOM 66 O HIS A 5 14.164 40.583 -6.059 1.00 3.13 O ATOM 67 CB HIS A 5 11.190 40.941 -4.457 1.00 70.33 C ATOM 68 CG HIS A 5 10.779 41.366 -5.850 1.00 61.40 C ATOM 69 ND1 HIS A 5 10.604 40.479 -6.890 1.00 61.34 N ATOM 70 CD2 HIS A 5 10.515 42.592 -6.370 1.00 22.43 C ATOM 71 CE1 HIS A 5 10.259 41.134 -7.975 1.00 24.23 C ATOM 72 NE2 HIS A 5 10.196 42.414 -7.688 1.00 62.43 N ATOM 0 H HIS A 5 12.489 43.066 -4.779 1.00 63.24 H new ATOM 0 HA HIS A 5 12.915 40.724 -3.151 1.00 61.32 H new ATOM 0 HB2 HIS A 5 10.880 39.908 -4.300 1.00 70.33 H new ATOM 0 HB3 HIS A 5 10.650 41.549 -3.732 1.00 70.33 H new ATOM 0 HD1 HIS A 5 10.724 39.468 -6.827 1.00 61.34 H new ATOM 0 HD2 HIS A 5 10.550 43.533 -5.841 1.00 22.43 H new ATOM 0 HE1 HIS A 5 10.060 40.694 -8.941 1.00 24.23 H new ATOM 81 N HIS A 6 13.418 38.800 -4.881 1.00 11.53 N ATOM 82 CA HIS A 6 14.044 37.781 -5.759 1.00 75.43 C ATOM 83 C HIS A 6 13.126 37.448 -6.968 1.00 74.34 C ATOM 84 O HIS A 6 11.942 37.822 -6.987 1.00 75.41 O ATOM 85 CB HIS A 6 14.397 36.502 -4.946 1.00 21.31 C ATOM 86 CG HIS A 6 13.236 35.581 -4.639 1.00 1.03 C ATOM 87 ND1 HIS A 6 12.929 34.479 -5.409 1.00 34.20 N ATOM 88 CD2 HIS A 6 12.315 35.598 -3.647 1.00 3.41 C ATOM 89 CE1 HIS A 6 11.878 33.871 -4.909 1.00 72.54 C ATOM 90 NE2 HIS A 6 11.487 34.526 -3.840 1.00 23.43 N ATOM 0 H HIS A 6 12.921 38.407 -4.082 1.00 11.53 H new ATOM 0 HA HIS A 6 14.972 38.193 -6.156 1.00 75.43 H new ATOM 0 HB2 HIS A 6 15.149 35.938 -5.498 1.00 21.31 H new ATOM 0 HB3 HIS A 6 14.855 36.806 -4.005 1.00 21.31 H new ATOM 0 HD1 HIS A 6 13.440 34.182 -6.240 1.00 34.20 H new ATOM 0 HD2 HIS A 6 12.246 36.324 -2.850 1.00 3.41 H new ATOM 0 HE1 HIS A 6 11.413 32.982 -5.309 1.00 72.54 H new ATOM 99 N HIS A 7 13.676 36.745 -7.975 1.00 23.35 N ATOM 100 CA HIS A 7 12.899 36.325 -9.165 1.00 35.23 C ATOM 101 C HIS A 7 12.092 35.031 -8.892 1.00 1.15 C ATOM 102 O HIS A 7 12.589 34.093 -8.255 1.00 43.32 O ATOM 103 CB HIS A 7 13.819 36.152 -10.404 1.00 65.41 C ATOM 104 CG HIS A 7 15.000 35.223 -10.233 1.00 34.13 C ATOM 105 ND1 HIS A 7 16.287 35.677 -10.033 1.00 41.50 N ATOM 106 CD2 HIS A 7 15.094 33.867 -10.270 1.00 70.13 C ATOM 107 CE1 HIS A 7 17.110 34.655 -9.956 1.00 73.53 C ATOM 108 NE2 HIS A 7 16.414 33.549 -10.096 1.00 3.42 N ATOM 0 H HIS A 7 14.654 36.454 -7.992 1.00 23.35 H new ATOM 0 HA HIS A 7 12.185 37.120 -9.382 1.00 35.23 H new ATOM 0 HB2 HIS A 7 13.213 35.787 -11.233 1.00 65.41 H new ATOM 0 HB3 HIS A 7 14.194 37.134 -10.692 1.00 65.41 H new ATOM 0 HD2 HIS A 7 14.280 33.171 -10.410 1.00 70.13 H new ATOM 0 HE1 HIS A 7 18.178 34.714 -9.803 1.00 73.53 H new ATOM 0 HE2 HIS A 7 16.797 32.604 -10.078 1.00 3.42 H new ATOM 117 N HIS A 8 10.846 34.991 -9.389 1.00 42.33 N ATOM 118 CA HIS A 8 9.954 33.830 -9.217 1.00 64.41 C ATOM 119 C HIS A 8 10.154 32.806 -10.357 1.00 31.02 C ATOM 120 O HIS A 8 9.935 33.115 -11.532 1.00 51.25 O ATOM 121 CB HIS A 8 8.483 34.303 -9.160 1.00 12.21 C ATOM 122 CG HIS A 8 7.480 33.207 -8.883 1.00 70.01 C ATOM 123 ND1 HIS A 8 6.749 32.582 -9.873 1.00 51.23 N ATOM 124 CD2 HIS A 8 7.078 32.637 -7.719 1.00 51.22 C ATOM 125 CE1 HIS A 8 5.950 31.687 -9.334 1.00 42.43 C ATOM 126 NE2 HIS A 8 6.130 31.700 -8.032 1.00 25.21 N ATOM 0 H HIS A 8 10.429 35.757 -9.918 1.00 42.33 H new ATOM 0 HA HIS A 8 10.203 33.335 -8.278 1.00 64.41 H new ATOM 0 HB2 HIS A 8 8.390 35.066 -8.387 1.00 12.21 H new ATOM 0 HB3 HIS A 8 8.231 34.777 -10.108 1.00 12.21 H new ATOM 0 HD2 HIS A 8 7.439 32.878 -6.730 1.00 51.22 H new ATOM 0 HE1 HIS A 8 5.263 31.050 -9.870 1.00 42.43 H new ATOM 0 HE2 HIS A 8 5.641 31.107 -7.362 1.00 25.21 H new ATOM 135 N SER A 9 10.589 31.595 -9.986 1.00 3.15 N ATOM 136 CA SER A 9 10.669 30.438 -10.902 1.00 32.32 C ATOM 137 C SER A 9 9.295 29.732 -10.965 1.00 64.24 C ATOM 138 O SER A 9 8.523 29.818 -10.006 1.00 70.23 O ATOM 139 CB SER A 9 11.772 29.474 -10.420 1.00 35.54 C ATOM 140 OG SER A 9 13.023 30.139 -10.330 1.00 51.24 O ATOM 0 H SER A 9 10.898 31.384 -9.037 1.00 3.15 H new ATOM 0 HA SER A 9 10.925 30.775 -11.906 1.00 32.32 H new ATOM 0 HB2 SER A 9 11.503 29.065 -9.446 1.00 35.54 H new ATOM 0 HB3 SER A 9 11.852 28.633 -11.109 1.00 35.54 H new ATOM 0 HG SER A 9 13.707 29.509 -10.021 1.00 51.24 H new ATOM 146 N HIS A 10 8.998 29.039 -12.088 1.00 14.43 N ATOM 147 CA HIS A 10 7.652 28.451 -12.350 1.00 15.13 C ATOM 148 C HIS A 10 7.258 27.343 -11.329 1.00 74.33 C ATOM 149 O HIS A 10 6.272 27.501 -10.606 1.00 24.20 O ATOM 150 CB HIS A 10 7.517 27.966 -13.829 1.00 70.25 C ATOM 151 CG HIS A 10 8.586 27.016 -14.319 1.00 33.40 C ATOM 152 ND1 HIS A 10 8.494 25.641 -14.215 1.00 3.13 N ATOM 153 CD2 HIS A 10 9.768 27.252 -14.942 1.00 60.12 C ATOM 154 CE1 HIS A 10 9.565 25.087 -14.744 1.00 25.42 C ATOM 155 NE2 HIS A 10 10.350 26.039 -15.189 1.00 64.31 N ATOM 0 H HIS A 10 9.672 28.869 -12.834 1.00 14.43 H new ATOM 0 HA HIS A 10 6.931 29.255 -12.202 1.00 15.13 H new ATOM 0 HB2 HIS A 10 6.548 27.480 -13.943 1.00 70.25 H new ATOM 0 HB3 HIS A 10 7.513 28.842 -14.478 1.00 70.25 H new ATOM 0 HD2 HIS A 10 10.175 28.220 -15.196 1.00 60.12 H new ATOM 0 HE1 HIS A 10 9.764 24.027 -14.802 1.00 25.42 H new ATOM 0 HE2 HIS A 10 11.251 25.897 -15.646 1.00 64.31 H new ATOM 164 N MET A 11 8.025 26.234 -11.265 1.00 10.22 N ATOM 165 CA MET A 11 7.782 25.118 -10.300 1.00 12.24 C ATOM 166 C MET A 11 9.117 24.473 -9.858 1.00 63.43 C ATOM 167 O MET A 11 10.169 24.710 -10.457 1.00 61.33 O ATOM 168 CB MET A 11 6.836 24.016 -10.891 1.00 61.40 C ATOM 169 CG MET A 11 5.376 24.443 -11.114 1.00 22.24 C ATOM 170 SD MET A 11 4.277 23.060 -11.492 1.00 41.21 S ATOM 171 CE MET A 11 4.932 22.463 -13.051 1.00 21.02 C ATOM 0 H MET A 11 8.829 26.078 -11.874 1.00 10.22 H new ATOM 0 HA MET A 11 7.286 25.557 -9.434 1.00 12.24 H new ATOM 0 HB2 MET A 11 7.248 23.682 -11.844 1.00 61.40 H new ATOM 0 HB3 MET A 11 6.846 23.157 -10.221 1.00 61.40 H new ATOM 0 HG2 MET A 11 5.013 24.953 -10.221 1.00 22.24 H new ATOM 0 HG3 MET A 11 5.336 25.164 -11.931 1.00 22.24 H new ATOM 0 HE1 MET A 11 4.123 22.044 -13.649 1.00 21.02 H new ATOM 0 HE2 MET A 11 5.393 23.289 -13.592 1.00 21.02 H new ATOM 0 HE3 MET A 11 5.679 21.692 -12.861 1.00 21.02 H new ATOM 181 N ASP A 12 9.051 23.639 -8.809 1.00 73.45 N ATOM 182 CA ASP A 12 10.218 22.881 -8.300 1.00 42.32 C ATOM 183 C ASP A 12 10.477 21.599 -9.140 1.00 35.32 C ATOM 184 O ASP A 12 9.841 21.371 -10.170 1.00 32.55 O ATOM 185 CB ASP A 12 9.967 22.519 -6.813 1.00 34.11 C ATOM 186 CG ASP A 12 9.904 23.756 -5.907 1.00 52.10 C ATOM 187 OD1 ASP A 12 10.965 24.178 -5.394 1.00 65.22 O ATOM 188 OD2 ASP A 12 8.805 24.311 -5.710 1.00 41.23 O ATOM 0 H ASP A 12 8.192 23.467 -8.287 1.00 73.45 H new ATOM 0 HA ASP A 12 11.109 23.503 -8.385 1.00 42.32 H new ATOM 0 HB2 ASP A 12 9.032 21.965 -6.731 1.00 34.11 H new ATOM 0 HB3 ASP A 12 10.761 21.858 -6.465 1.00 34.11 H new ATOM 193 N THR A 13 11.446 20.783 -8.706 1.00 3.42 N ATOM 194 CA THR A 13 11.666 19.418 -9.251 1.00 33.10 C ATOM 195 C THR A 13 11.481 18.376 -8.124 1.00 60.04 C ATOM 196 O THR A 13 11.998 18.567 -7.017 1.00 24.43 O ATOM 197 CB THR A 13 13.076 19.244 -9.935 1.00 13.32 C ATOM 198 OG1 THR A 13 13.343 17.852 -10.223 1.00 74.01 O ATOM 199 CG2 THR A 13 14.208 19.802 -9.080 1.00 45.12 C ATOM 0 H THR A 13 12.103 21.040 -7.970 1.00 3.42 H new ATOM 0 HA THR A 13 10.925 19.259 -10.034 1.00 33.10 H new ATOM 0 HB THR A 13 13.037 19.812 -10.865 1.00 13.32 H new ATOM 0 HG1 THR A 13 14.222 17.769 -10.648 1.00 74.01 H new ATOM 0 HG21 THR A 13 15.158 19.658 -9.595 1.00 45.12 H new ATOM 0 HG22 THR A 13 14.045 20.866 -8.910 1.00 45.12 H new ATOM 0 HG23 THR A 13 14.232 19.281 -8.123 1.00 45.12 H new ATOM 207 N PRO A 14 10.757 17.234 -8.397 1.00 61.42 N ATOM 208 CA PRO A 14 10.412 16.217 -7.360 1.00 62.12 C ATOM 209 C PRO A 14 11.650 15.547 -6.729 1.00 43.51 C ATOM 210 O PRO A 14 11.593 15.051 -5.600 1.00 62.41 O ATOM 211 CB PRO A 14 9.546 15.195 -8.146 1.00 61.13 C ATOM 212 CG PRO A 14 9.952 15.359 -9.576 1.00 20.33 C ATOM 213 CD PRO A 14 10.247 16.831 -9.736 1.00 72.41 C ATOM 0 HA PRO A 14 9.899 16.660 -6.507 1.00 62.12 H new ATOM 0 HB2 PRO A 14 9.725 14.177 -7.799 1.00 61.13 H new ATOM 0 HB3 PRO A 14 8.483 15.394 -8.013 1.00 61.13 H new ATOM 0 HG2 PRO A 14 10.828 14.754 -9.809 1.00 20.33 H new ATOM 0 HG3 PRO A 14 9.157 15.041 -10.250 1.00 20.33 H new ATOM 0 HD2 PRO A 14 10.986 17.009 -10.517 1.00 72.41 H new ATOM 0 HD3 PRO A 14 9.353 17.391 -10.010 1.00 72.41 H new ATOM 221 N GLU A 15 12.771 15.598 -7.464 1.00 31.21 N ATOM 222 CA GLU A 15 14.034 14.951 -7.086 1.00 35.20 C ATOM 223 C GLU A 15 14.747 15.743 -5.958 1.00 42.33 C ATOM 224 O GLU A 15 15.198 15.151 -4.977 1.00 34.34 O ATOM 225 CB GLU A 15 14.918 14.817 -8.352 1.00 44.42 C ATOM 226 CG GLU A 15 14.235 14.023 -9.492 1.00 4.12 C ATOM 227 CD GLU A 15 15.070 13.948 -10.781 1.00 35.14 C ATOM 228 OE1 GLU A 15 15.039 14.910 -11.580 1.00 32.04 O ATOM 229 OE2 GLU A 15 15.765 12.932 -10.998 1.00 11.23 O ATOM 0 H GLU A 15 12.825 16.098 -8.351 1.00 31.21 H new ATOM 0 HA GLU A 15 13.839 13.956 -6.686 1.00 35.20 H new ATOM 0 HB2 GLU A 15 15.175 15.812 -8.715 1.00 44.42 H new ATOM 0 HB3 GLU A 15 15.853 14.324 -8.084 1.00 44.42 H new ATOM 0 HG2 GLU A 15 14.028 13.011 -9.144 1.00 4.12 H new ATOM 0 HG3 GLU A 15 13.274 14.485 -9.719 1.00 4.12 H new ATOM 236 N ASN A 16 14.824 17.089 -6.099 1.00 42.32 N ATOM 237 CA ASN A 16 15.377 17.980 -5.043 1.00 73.23 C ATOM 238 C ASN A 16 14.432 18.071 -3.821 1.00 51.04 C ATOM 239 O ASN A 16 14.902 18.053 -2.682 1.00 22.43 O ATOM 240 CB ASN A 16 15.671 19.400 -5.593 1.00 11.54 C ATOM 241 CG ASN A 16 16.823 19.450 -6.600 1.00 31.42 C ATOM 242 OD1 ASN A 16 16.845 20.481 -7.420 1.00 2.13 O flip ATOM 243 ND2 ASN A 16 17.715 18.608 -6.607 1.00 54.01 N flip ATOM 0 H ASN A 16 14.510 17.584 -6.934 1.00 42.32 H new ATOM 0 HA ASN A 16 16.317 17.534 -4.717 1.00 73.23 H new ATOM 0 HB2 ASN A 16 14.770 19.789 -6.067 1.00 11.54 H new ATOM 0 HB3 ASN A 16 15.902 20.061 -4.758 1.00 11.54 H new ATOM 0 HD21 ASN A 16 17.676 17.818 -5.962 1.00 54.01 H new ATOM 0 HD22 ASN A 16 18.496 18.698 -7.257 1.00 54.01 H new ATOM 250 N VAL A 17 13.104 18.166 -4.082 1.00 61.52 N ATOM 251 CA VAL A 17 12.060 18.133 -3.019 1.00 4.31 C ATOM 252 C VAL A 17 12.220 16.887 -2.114 1.00 31.42 C ATOM 253 O VAL A 17 12.199 16.990 -0.883 1.00 41.23 O ATOM 254 CB VAL A 17 10.607 18.170 -3.646 1.00 14.42 C ATOM 255 CG1 VAL A 17 9.495 17.931 -2.588 1.00 50.23 C ATOM 256 CG2 VAL A 17 10.374 19.507 -4.394 1.00 63.44 C ATOM 0 H VAL A 17 12.726 18.267 -5.024 1.00 61.52 H new ATOM 0 HA VAL A 17 12.194 19.023 -2.404 1.00 4.31 H new ATOM 0 HB VAL A 17 10.545 17.348 -4.359 1.00 14.42 H new ATOM 0 HG11 VAL A 17 8.519 17.967 -3.072 1.00 50.23 H new ATOM 0 HG12 VAL A 17 9.636 16.954 -2.127 1.00 50.23 H new ATOM 0 HG13 VAL A 17 9.549 18.705 -1.822 1.00 50.23 H new ATOM 0 HG21 VAL A 17 9.370 19.516 -4.819 1.00 63.44 H new ATOM 0 HG22 VAL A 17 10.480 20.338 -3.696 1.00 63.44 H new ATOM 0 HG23 VAL A 17 11.108 19.609 -5.194 1.00 63.44 H new ATOM 266 N LEU A 18 12.406 15.726 -2.756 1.00 70.30 N ATOM 267 CA LEU A 18 12.718 14.462 -2.068 1.00 72.44 C ATOM 268 C LEU A 18 14.045 14.560 -1.268 1.00 72.05 C ATOM 269 O LEU A 18 14.069 14.257 -0.073 1.00 73.42 O ATOM 270 CB LEU A 18 12.766 13.321 -3.113 1.00 22.11 C ATOM 271 CG LEU A 18 13.121 11.899 -2.589 1.00 53.53 C ATOM 272 CD1 LEU A 18 12.213 11.469 -1.423 1.00 35.42 C ATOM 273 CD2 LEU A 18 13.069 10.876 -3.731 1.00 12.41 C ATOM 0 H LEU A 18 12.345 15.635 -3.770 1.00 70.30 H new ATOM 0 HA LEU A 18 11.936 14.248 -1.340 1.00 72.44 H new ATOM 0 HB2 LEU A 18 11.794 13.269 -3.603 1.00 22.11 H new ATOM 0 HB3 LEU A 18 13.494 13.592 -3.878 1.00 22.11 H new ATOM 0 HG LEU A 18 14.139 11.938 -2.202 1.00 53.53 H new ATOM 0 HD11 LEU A 18 12.497 10.471 -1.090 1.00 35.42 H new ATOM 0 HD12 LEU A 18 12.323 12.172 -0.598 1.00 35.42 H new ATOM 0 HD13 LEU A 18 11.175 11.459 -1.755 1.00 35.42 H new ATOM 0 HD21 LEU A 18 13.320 9.888 -3.346 1.00 12.41 H new ATOM 0 HD22 LEU A 18 12.065 10.856 -4.156 1.00 12.41 H new ATOM 0 HD23 LEU A 18 13.785 11.157 -4.504 1.00 12.41 H new ATOM 285 N GLN A 19 15.127 15.038 -1.925 1.00 71.12 N ATOM 286 CA GLN A 19 16.460 15.202 -1.279 1.00 22.01 C ATOM 287 C GLN A 19 16.430 16.163 -0.070 1.00 32.52 C ATOM 288 O GLN A 19 17.337 16.114 0.760 1.00 44.54 O ATOM 289 CB GLN A 19 17.523 15.713 -2.285 1.00 40.42 C ATOM 290 CG GLN A 19 17.891 14.729 -3.402 1.00 72.32 C ATOM 291 CD GLN A 19 18.910 15.322 -4.374 1.00 72.11 C ATOM 292 OE1 GLN A 19 18.434 16.035 -5.372 1.00 21.42 O flip ATOM 293 NE2 GLN A 19 20.116 15.172 -4.203 1.00 51.01 N flip ATOM 0 H GLN A 19 15.107 15.319 -2.905 1.00 71.12 H new ATOM 0 HA GLN A 19 16.730 14.207 -0.925 1.00 22.01 H new ATOM 0 HB2 GLN A 19 17.157 16.634 -2.740 1.00 40.42 H new ATOM 0 HB3 GLN A 19 18.428 15.968 -1.734 1.00 40.42 H new ATOM 0 HG2 GLN A 19 18.296 13.817 -2.963 1.00 72.32 H new ATOM 0 HG3 GLN A 19 16.991 14.447 -3.948 1.00 72.32 H new ATOM 0 HE21 GLN A 19 20.454 14.613 -3.420 1.00 51.01 H new ATOM 0 HE22 GLN A 19 20.780 15.606 -4.844 1.00 51.01 H new ATOM 302 N MET A 20 15.421 17.061 0.000 1.00 72.03 N ATOM 303 CA MET A 20 15.240 17.939 1.172 1.00 54.42 C ATOM 304 C MET A 20 14.978 17.105 2.443 1.00 54.24 C ATOM 305 O MET A 20 15.746 17.202 3.408 1.00 60.31 O ATOM 306 CB MET A 20 14.124 18.997 0.953 1.00 4.50 C ATOM 307 CG MET A 20 14.413 20.018 -0.158 1.00 11.10 C ATOM 308 SD MET A 20 13.320 21.457 -0.099 1.00 42.15 S ATOM 309 CE MET A 20 11.684 20.720 -0.191 1.00 0.25 C ATOM 0 H MET A 20 14.727 17.194 -0.736 1.00 72.03 H new ATOM 0 HA MET A 20 16.170 18.491 1.307 1.00 54.42 H new ATOM 0 HB2 MET A 20 13.194 18.480 0.719 1.00 4.50 H new ATOM 0 HB3 MET A 20 13.964 19.534 1.888 1.00 4.50 H new ATOM 0 HG2 MET A 20 15.448 20.351 -0.077 1.00 11.10 H new ATOM 0 HG3 MET A 20 14.310 19.530 -1.127 1.00 11.10 H new ATOM 0 HE1 MET A 20 11.108 21.209 -0.977 1.00 0.25 H new ATOM 0 HE2 MET A 20 11.776 19.657 -0.416 1.00 0.25 H new ATOM 0 HE3 MET A 20 11.174 20.846 0.764 1.00 0.25 H new ATOM 319 N LEU A 21 13.936 16.235 2.424 1.00 2.22 N ATOM 320 CA LEU A 21 13.641 15.358 3.583 1.00 0.44 C ATOM 321 C LEU A 21 14.780 14.340 3.822 1.00 61.32 C ATOM 322 O LEU A 21 15.082 14.034 4.967 1.00 22.42 O ATOM 323 CB LEU A 21 12.236 14.658 3.468 1.00 25.31 C ATOM 324 CG LEU A 21 11.949 13.672 2.268 1.00 24.44 C ATOM 325 CD1 LEU A 21 12.599 12.289 2.462 1.00 0.01 C ATOM 326 CD2 LEU A 21 10.432 13.511 2.019 1.00 64.11 C ATOM 0 H LEU A 21 13.299 16.124 1.635 1.00 2.22 H new ATOM 0 HA LEU A 21 13.587 16.001 4.462 1.00 0.44 H new ATOM 0 HB2 LEU A 21 12.072 14.103 4.392 1.00 25.31 H new ATOM 0 HB3 LEU A 21 11.482 15.445 3.431 1.00 25.31 H new ATOM 0 HG LEU A 21 12.406 14.129 1.391 1.00 24.44 H new ATOM 0 HD11 LEU A 21 12.367 11.655 1.606 1.00 0.01 H new ATOM 0 HD12 LEU A 21 13.680 12.404 2.547 1.00 0.01 H new ATOM 0 HD13 LEU A 21 12.211 11.829 3.370 1.00 0.01 H new ATOM 0 HD21 LEU A 21 10.271 12.826 1.187 1.00 64.11 H new ATOM 0 HD22 LEU A 21 9.957 13.112 2.915 1.00 64.11 H new ATOM 0 HD23 LEU A 21 9.998 14.482 1.780 1.00 64.11 H new ATOM 338 N GLU A 22 15.421 13.861 2.722 1.00 73.20 N ATOM 339 CA GLU A 22 16.493 12.836 2.778 1.00 64.54 C ATOM 340 C GLU A 22 17.762 13.368 3.466 1.00 12.31 C ATOM 341 O GLU A 22 18.346 12.667 4.284 1.00 33.21 O ATOM 342 CB GLU A 22 16.842 12.306 1.360 1.00 42.45 C ATOM 343 CG GLU A 22 15.692 11.574 0.640 1.00 4.53 C ATOM 344 CD GLU A 22 16.117 10.928 -0.685 1.00 13.43 C ATOM 345 OE1 GLU A 22 16.424 11.670 -1.647 1.00 65.21 O ATOM 346 OE2 GLU A 22 16.166 9.679 -0.769 1.00 64.44 O ATOM 0 H GLU A 22 15.208 14.175 1.775 1.00 73.20 H new ATOM 0 HA GLU A 22 16.105 12.011 3.375 1.00 64.54 H new ATOM 0 HB2 GLU A 22 17.162 13.145 0.743 1.00 42.45 H new ATOM 0 HB3 GLU A 22 17.691 11.628 1.440 1.00 42.45 H new ATOM 0 HG2 GLU A 22 15.292 10.804 1.299 1.00 4.53 H new ATOM 0 HG3 GLU A 22 14.885 12.281 0.449 1.00 4.53 H new ATOM 353 N ALA A 23 18.162 14.607 3.131 1.00 4.14 N ATOM 354 CA ALA A 23 19.347 15.274 3.721 1.00 74.31 C ATOM 355 C ALA A 23 19.209 15.429 5.253 1.00 14.14 C ATOM 356 O ALA A 23 20.160 15.192 6.008 1.00 23.34 O ATOM 357 CB ALA A 23 19.570 16.638 3.055 1.00 62.33 C ATOM 0 H ALA A 23 17.675 15.180 2.442 1.00 4.14 H new ATOM 0 HA ALA A 23 20.216 14.643 3.535 1.00 74.31 H new ATOM 0 HB1 ALA A 23 20.443 17.120 3.496 1.00 62.33 H new ATOM 0 HB2 ALA A 23 19.733 16.499 1.986 1.00 62.33 H new ATOM 0 HB3 ALA A 23 18.693 17.266 3.209 1.00 62.33 H new ATOM 363 N HIS A 24 17.997 15.813 5.692 1.00 64.10 N ATOM 364 CA HIS A 24 17.637 15.871 7.122 1.00 5.35 C ATOM 365 C HIS A 24 17.521 14.448 7.735 1.00 62.42 C ATOM 366 O HIS A 24 17.918 14.230 8.879 1.00 75.52 O ATOM 367 CB HIS A 24 16.312 16.651 7.307 1.00 33.42 C ATOM 368 CG HIS A 24 16.411 18.134 7.005 1.00 3.43 C ATOM 369 ND1 HIS A 24 16.039 18.854 5.921 1.00 31.15 N flip ATOM 370 CD2 HIS A 24 16.959 19.048 7.880 1.00 53.02 C flip ATOM 371 CE1 HIS A 24 16.366 20.162 6.160 1.00 62.04 C flip ATOM 372 NE2 HIS A 24 16.919 20.252 7.346 1.00 20.35 N flip ATOM 0 H HIS A 24 17.240 16.092 5.068 1.00 64.10 H new ATOM 0 HA HIS A 24 18.434 16.395 7.650 1.00 5.35 H new ATOM 0 HB2 HIS A 24 15.552 16.211 6.661 1.00 33.42 H new ATOM 0 HB3 HIS A 24 15.970 16.524 8.334 1.00 33.42 H new ATOM 0 HD1 HIS A 24 15.595 18.488 5.078 1.00 31.15 H new ATOM 0 HD2 HIS A 24 17.360 18.813 8.855 1.00 53.02 H new ATOM 0 HE1 HIS A 24 16.196 20.986 5.482 1.00 62.04 H new ATOM 381 N MET A 25 17.014 13.489 6.929 1.00 74.53 N ATOM 382 CA MET A 25 16.725 12.096 7.362 1.00 1.45 C ATOM 383 C MET A 25 18.015 11.327 7.735 1.00 43.12 C ATOM 384 O MET A 25 17.995 10.464 8.622 1.00 5.44 O ATOM 385 CB MET A 25 15.967 11.347 6.231 1.00 4.52 C ATOM 386 CG MET A 25 15.211 10.085 6.655 1.00 12.11 C ATOM 387 SD MET A 25 13.916 10.435 7.863 1.00 65.41 S ATOM 388 CE MET A 25 12.850 11.577 6.969 1.00 61.34 C ATOM 0 H MET A 25 16.790 13.658 5.948 1.00 74.53 H new ATOM 0 HA MET A 25 16.104 12.145 8.256 1.00 1.45 H new ATOM 0 HB2 MET A 25 15.256 12.038 5.777 1.00 4.52 H new ATOM 0 HB3 MET A 25 16.685 11.074 5.457 1.00 4.52 H new ATOM 0 HG2 MET A 25 14.768 9.617 5.776 1.00 12.11 H new ATOM 0 HG3 MET A 25 15.914 9.368 7.077 1.00 12.11 H new ATOM 0 HE1 MET A 25 11.807 11.323 7.156 1.00 61.34 H new ATOM 0 HE2 MET A 25 13.042 12.595 7.308 1.00 61.34 H new ATOM 0 HE3 MET A 25 13.055 11.506 5.901 1.00 61.34 H new ATOM 398 N GLN A 26 19.121 11.647 7.021 1.00 14.42 N ATOM 399 CA GLN A 26 20.472 11.085 7.286 1.00 32.40 C ATOM 400 C GLN A 26 20.882 11.212 8.779 1.00 55.12 C ATOM 401 O GLN A 26 21.427 10.275 9.364 1.00 61.43 O ATOM 402 CB GLN A 26 21.554 11.790 6.409 1.00 14.20 C ATOM 403 CG GLN A 26 21.267 11.825 4.893 1.00 50.24 C ATOM 404 CD GLN A 26 21.086 10.449 4.239 1.00 22.14 C ATOM 405 OE1 GLN A 26 21.701 9.469 4.635 1.00 70.03 O ATOM 406 NE2 GLN A 26 20.230 10.365 3.237 1.00 14.03 N ATOM 0 H GLN A 26 19.103 12.305 6.241 1.00 14.42 H new ATOM 0 HA GLN A 26 20.416 10.027 7.029 1.00 32.40 H new ATOM 0 HB2 GLN A 26 21.670 12.815 6.762 1.00 14.20 H new ATOM 0 HB3 GLN A 26 22.508 11.288 6.568 1.00 14.20 H new ATOM 0 HG2 GLN A 26 20.366 12.414 4.722 1.00 50.24 H new ATOM 0 HG3 GLN A 26 22.086 12.343 4.395 1.00 50.24 H new ATOM 0 HE21 GLN A 26 19.728 11.196 2.924 1.00 14.03 H new ATOM 0 HE22 GLN A 26 20.070 9.469 2.776 1.00 14.03 H new ATOM 415 N SER A 27 20.591 12.378 9.383 1.00 64.12 N ATOM 416 CA SER A 27 21.010 12.711 10.775 1.00 2.42 C ATOM 417 C SER A 27 19.794 12.934 11.712 1.00 2.53 C ATOM 418 O SER A 27 19.973 13.329 12.872 1.00 31.21 O ATOM 419 CB SER A 27 21.909 13.977 10.740 1.00 41.31 C ATOM 420 OG SER A 27 22.436 14.306 12.020 1.00 23.12 O ATOM 0 H SER A 27 20.060 13.121 8.929 1.00 64.12 H new ATOM 0 HA SER A 27 21.568 11.866 11.179 1.00 2.42 H new ATOM 0 HB2 SER A 27 22.731 13.816 10.043 1.00 41.31 H new ATOM 0 HB3 SER A 27 21.330 14.819 10.361 1.00 41.31 H new ATOM 0 HG SER A 27 21.820 13.998 12.717 1.00 23.12 H new ATOM 426 N TYR A 28 18.564 12.678 11.203 1.00 65.45 N ATOM 427 CA TYR A 28 17.302 12.983 11.930 1.00 55.51 C ATOM 428 C TYR A 28 17.211 12.325 13.341 1.00 22.10 C ATOM 429 O TYR A 28 17.572 11.161 13.526 1.00 71.22 O ATOM 430 CB TYR A 28 16.054 12.595 11.082 1.00 11.33 C ATOM 431 CG TYR A 28 14.733 12.984 11.772 1.00 42.02 C ATOM 432 CD1 TYR A 28 14.377 14.330 11.907 1.00 53.23 C ATOM 433 CD2 TYR A 28 13.891 12.025 12.354 1.00 74.40 C ATOM 434 CE1 TYR A 28 13.248 14.705 12.598 1.00 51.32 C ATOM 435 CE2 TYR A 28 12.751 12.402 13.032 1.00 42.01 C ATOM 436 CZ TYR A 28 12.441 13.741 13.156 1.00 71.21 C ATOM 437 OH TYR A 28 11.329 14.117 13.865 1.00 55.51 O ATOM 0 H TYR A 28 18.417 12.258 10.285 1.00 65.45 H new ATOM 0 HA TYR A 28 17.316 14.061 12.088 1.00 55.51 H new ATOM 0 HB2 TYR A 28 16.111 13.085 10.110 1.00 11.33 H new ATOM 0 HB3 TYR A 28 16.062 11.521 10.898 1.00 11.33 H new ATOM 0 HD1 TYR A 28 15.001 15.090 11.460 1.00 53.23 H new ATOM 0 HD2 TYR A 28 14.139 10.977 12.270 1.00 74.40 H new ATOM 0 HE1 TYR A 28 12.997 15.750 12.702 1.00 51.32 H new ATOM 0 HE2 TYR A 28 12.104 11.653 13.464 1.00 42.01 H new ATOM 0 HH TYR A 28 10.527 13.761 13.428 1.00 55.51 H new ATOM 447 N LYS A 29 16.689 13.104 14.308 1.00 74.11 N ATOM 448 CA LYS A 29 16.479 12.678 15.702 1.00 52.55 C ATOM 449 C LYS A 29 15.341 13.519 16.346 1.00 62.31 C ATOM 450 O LYS A 29 15.548 14.677 16.721 1.00 4.13 O ATOM 451 CB LYS A 29 17.806 12.810 16.512 1.00 5.52 C ATOM 452 CG LYS A 29 17.709 12.416 18.006 1.00 14.54 C ATOM 453 CD LYS A 29 17.293 10.940 18.219 1.00 55.11 C ATOM 454 CE LYS A 29 17.110 10.598 19.707 1.00 50.30 C ATOM 455 NZ LYS A 29 18.352 10.818 20.496 1.00 5.34 N ATOM 0 H LYS A 29 16.396 14.066 14.137 1.00 74.11 H new ATOM 0 HA LYS A 29 16.180 11.630 15.717 1.00 52.55 H new ATOM 0 HB2 LYS A 29 18.566 12.189 16.038 1.00 5.52 H new ATOM 0 HB3 LYS A 29 18.152 13.842 16.447 1.00 5.52 H new ATOM 0 HG2 LYS A 29 18.673 12.588 18.484 1.00 14.54 H new ATOM 0 HG3 LYS A 29 16.987 13.066 18.501 1.00 14.54 H new ATOM 0 HD2 LYS A 29 16.362 10.746 17.686 1.00 55.11 H new ATOM 0 HD3 LYS A 29 18.050 10.285 17.788 1.00 55.11 H new ATOM 0 HE2 LYS A 29 16.307 11.208 20.121 1.00 50.30 H new ATOM 0 HE3 LYS A 29 16.802 9.557 19.803 1.00 50.30 H new ATOM 0 HZ1 LYS A 29 18.210 10.479 21.469 1.00 5.34 H new ATOM 0 HZ2 LYS A 29 19.138 10.296 20.059 1.00 5.34 H new ATOM 0 HZ3 LYS A 29 18.577 11.833 20.513 1.00 5.34 H new ATOM 469 N GLY A 30 14.132 12.934 16.428 1.00 32.20 N ATOM 470 CA GLY A 30 12.974 13.588 17.061 1.00 45.13 C ATOM 471 C GLY A 30 11.797 12.630 17.291 1.00 21.22 C ATOM 472 O GLY A 30 11.507 12.254 18.432 1.00 60.33 O ATOM 0 H GLY A 30 13.932 12.004 16.061 1.00 32.20 H new ATOM 0 HA2 GLY A 30 13.281 14.014 18.016 1.00 45.13 H new ATOM 0 HA3 GLY A 30 12.644 14.417 16.434 1.00 45.13 H new ATOM 476 N ASN A 31 11.124 12.220 16.201 1.00 62.54 N ATOM 477 CA ASN A 31 9.951 11.310 16.247 1.00 33.25 C ATOM 478 C ASN A 31 10.119 10.151 15.228 1.00 45.11 C ATOM 479 O ASN A 31 11.235 9.875 14.772 1.00 24.44 O ATOM 480 CB ASN A 31 8.652 12.142 15.996 1.00 11.41 C ATOM 481 CG ASN A 31 8.596 12.880 14.642 1.00 72.15 C ATOM 482 OD1 ASN A 31 9.087 12.408 13.622 1.00 1.13 O ATOM 483 ND2 ASN A 31 7.988 14.050 14.615 1.00 23.52 N ATOM 0 H ASN A 31 11.375 12.509 15.255 1.00 62.54 H new ATOM 0 HA ASN A 31 9.873 10.848 17.231 1.00 33.25 H new ATOM 0 HB2 ASN A 31 7.793 11.474 16.063 1.00 11.41 H new ATOM 0 HB3 ASN A 31 8.549 12.875 16.796 1.00 11.41 H new ATOM 0 HD21 ASN A 31 7.923 14.571 13.740 1.00 23.52 H new ATOM 0 HD22 ASN A 31 7.583 14.434 15.469 1.00 23.52 H new ATOM 490 N ASP A 32 9.014 9.453 14.897 1.00 14.11 N ATOM 491 CA ASP A 32 9.012 8.444 13.817 1.00 61.54 C ATOM 492 C ASP A 32 9.079 9.135 12.421 1.00 54.22 C ATOM 493 O ASP A 32 8.149 9.865 12.051 1.00 24.30 O ATOM 494 CB ASP A 32 7.770 7.530 13.938 1.00 24.11 C ATOM 495 CG ASP A 32 7.817 6.701 15.230 1.00 75.41 C ATOM 496 OD1 ASP A 32 7.374 7.208 16.284 1.00 3.43 O ATOM 497 OD2 ASP A 32 8.352 5.566 15.208 1.00 60.13 O ATOM 0 H ASP A 32 8.113 9.569 15.361 1.00 14.11 H new ATOM 0 HA ASP A 32 9.899 7.819 13.918 1.00 61.54 H new ATOM 0 HB2 ASP A 32 6.865 8.137 13.925 1.00 24.11 H new ATOM 0 HB3 ASP A 32 7.719 6.864 13.077 1.00 24.11 H new ATOM 502 N PRO A 33 10.187 8.907 11.624 1.00 75.13 N ATOM 503 CA PRO A 33 10.455 9.632 10.339 1.00 74.04 C ATOM 504 C PRO A 33 9.351 9.495 9.261 1.00 44.43 C ATOM 505 O PRO A 33 9.343 10.269 8.305 1.00 5.41 O ATOM 506 CB PRO A 33 11.797 9.014 9.850 1.00 3.43 C ATOM 507 CG PRO A 33 11.899 7.706 10.562 1.00 34.25 C ATOM 508 CD PRO A 33 11.280 7.941 11.918 1.00 22.40 C ATOM 0 HA PRO A 33 10.487 10.708 10.509 1.00 74.04 H new ATOM 0 HB2 PRO A 33 11.798 8.876 8.769 1.00 3.43 H new ATOM 0 HB3 PRO A 33 12.641 9.661 10.090 1.00 3.43 H new ATOM 0 HG2 PRO A 33 11.372 6.921 10.020 1.00 34.25 H new ATOM 0 HG3 PRO A 33 12.938 7.388 10.654 1.00 34.25 H new ATOM 0 HD2 PRO A 33 10.897 7.018 12.352 1.00 22.40 H new ATOM 0 HD3 PRO A 33 12.001 8.350 12.625 1.00 22.40 H new ATOM 516 N LEU A 34 8.424 8.519 9.428 1.00 14.52 N ATOM 517 CA LEU A 34 7.251 8.345 8.527 1.00 55.00 C ATOM 518 C LEU A 34 6.425 9.648 8.435 1.00 42.04 C ATOM 519 O LEU A 34 6.022 10.050 7.344 1.00 22.31 O ATOM 520 CB LEU A 34 6.367 7.155 9.004 1.00 21.43 C ATOM 521 CG LEU A 34 5.111 6.807 8.121 1.00 10.05 C ATOM 522 CD1 LEU A 34 5.499 6.488 6.661 1.00 52.22 C ATOM 523 CD2 LEU A 34 4.307 5.644 8.733 1.00 23.52 C ATOM 0 H LEU A 34 8.465 7.835 10.183 1.00 14.52 H new ATOM 0 HA LEU A 34 7.620 8.115 7.527 1.00 55.00 H new ATOM 0 HB2 LEU A 34 6.996 6.267 9.065 1.00 21.43 H new ATOM 0 HB3 LEU A 34 6.022 7.371 10.015 1.00 21.43 H new ATOM 0 HG LEU A 34 4.479 7.695 8.106 1.00 10.05 H new ATOM 0 HD11 LEU A 34 4.601 6.254 6.089 1.00 52.22 H new ATOM 0 HD12 LEU A 34 5.996 7.352 6.219 1.00 52.22 H new ATOM 0 HD13 LEU A 34 6.174 5.633 6.643 1.00 52.22 H new ATOM 0 HD21 LEU A 34 3.445 5.426 8.102 1.00 23.52 H new ATOM 0 HD22 LEU A 34 4.941 4.760 8.801 1.00 23.52 H new ATOM 0 HD23 LEU A 34 3.965 5.923 9.730 1.00 23.52 H new ATOM 535 N GLY A 35 6.243 10.316 9.593 1.00 41.40 N ATOM 536 CA GLY A 35 5.585 11.626 9.653 1.00 55.31 C ATOM 537 C GLY A 35 6.348 12.731 8.927 1.00 44.20 C ATOM 538 O GLY A 35 5.738 13.614 8.327 1.00 24.31 O ATOM 0 H GLY A 35 6.546 9.962 10.500 1.00 41.40 H new ATOM 0 HA2 GLY A 35 4.588 11.542 9.221 1.00 55.31 H new ATOM 0 HA3 GLY A 35 5.457 11.911 10.697 1.00 55.31 H new ATOM 542 N GLU A 36 7.690 12.651 8.965 1.00 42.45 N ATOM 543 CA GLU A 36 8.592 13.634 8.312 1.00 33.43 C ATOM 544 C GLU A 36 8.566 13.501 6.768 1.00 21.02 C ATOM 545 O GLU A 36 8.854 14.461 6.040 1.00 44.11 O ATOM 546 CB GLU A 36 10.028 13.484 8.874 1.00 5.44 C ATOM 547 CG GLU A 36 10.097 13.453 10.420 1.00 70.23 C ATOM 548 CD GLU A 36 9.437 14.669 11.115 1.00 52.33 C ATOM 549 OE1 GLU A 36 10.120 15.697 11.313 1.00 61.22 O ATOM 550 OE2 GLU A 36 8.237 14.592 11.483 1.00 51.44 O ATOM 0 H GLU A 36 8.187 11.903 9.449 1.00 42.45 H new ATOM 0 HA GLU A 36 8.232 14.637 8.542 1.00 33.43 H new ATOM 0 HB2 GLU A 36 10.467 12.566 8.482 1.00 5.44 H new ATOM 0 HB3 GLU A 36 10.638 14.310 8.509 1.00 5.44 H new ATOM 0 HG2 GLU A 36 9.615 12.542 10.775 1.00 70.23 H new ATOM 0 HG3 GLU A 36 11.142 13.400 10.724 1.00 70.23 H new ATOM 557 N TRP A 37 8.219 12.298 6.287 1.00 13.04 N ATOM 558 CA TRP A 37 7.863 12.060 4.875 1.00 3.34 C ATOM 559 C TRP A 37 6.466 12.649 4.561 1.00 31.01 C ATOM 560 O TRP A 37 6.287 13.333 3.546 1.00 44.04 O ATOM 561 CB TRP A 37 7.880 10.543 4.565 1.00 13.41 C ATOM 562 CG TRP A 37 9.266 9.952 4.406 1.00 52.22 C ATOM 563 CD1 TRP A 37 10.136 9.566 5.388 1.00 45.12 C ATOM 564 CD2 TRP A 37 9.922 9.662 3.166 1.00 74.14 C ATOM 565 NE1 TRP A 37 11.291 9.082 4.834 1.00 41.13 N ATOM 566 CE2 TRP A 37 11.180 9.125 3.473 1.00 45.52 C ATOM 567 CE3 TRP A 37 9.561 9.814 1.825 1.00 11.34 C ATOM 568 CZ2 TRP A 37 12.082 8.738 2.489 1.00 75.10 C ATOM 569 CZ3 TRP A 37 10.455 9.427 0.852 1.00 65.44 C ATOM 570 CH2 TRP A 37 11.704 8.895 1.189 1.00 43.22 C ATOM 0 H TRP A 37 8.176 11.459 6.865 1.00 13.04 H new ATOM 0 HA TRP A 37 8.601 12.557 4.246 1.00 3.34 H new ATOM 0 HB2 TRP A 37 7.363 10.015 5.366 1.00 13.41 H new ATOM 0 HB3 TRP A 37 7.315 10.365 3.650 1.00 13.41 H new ATOM 0 HD1 TRP A 37 9.940 9.633 6.448 1.00 45.12 H new ATOM 0 HE1 TRP A 37 12.102 8.744 5.353 1.00 41.13 H new ATOM 0 HE3 TRP A 37 8.600 10.227 1.557 1.00 11.34 H new ATOM 0 HZ2 TRP A 37 13.048 8.328 2.745 1.00 75.10 H new ATOM 0 HZ3 TRP A 37 10.187 9.536 -0.189 1.00 65.44 H new ATOM 0 HH2 TRP A 37 12.383 8.602 0.402 1.00 43.22 H new ATOM 581 N GLU A 38 5.489 12.381 5.464 1.00 73.51 N ATOM 582 CA GLU A 38 4.082 12.846 5.328 1.00 23.35 C ATOM 583 C GLU A 38 3.969 14.387 5.216 1.00 62.44 C ATOM 584 O GLU A 38 3.001 14.885 4.640 1.00 22.25 O ATOM 585 CB GLU A 38 3.218 12.342 6.518 1.00 73.55 C ATOM 586 CG GLU A 38 3.028 10.815 6.592 1.00 21.13 C ATOM 587 CD GLU A 38 2.184 10.379 7.805 1.00 42.22 C ATOM 588 OE1 GLU A 38 2.723 10.318 8.922 1.00 13.14 O ATOM 589 OE2 GLU A 38 0.973 10.132 7.654 1.00 42.22 O ATOM 0 H GLU A 38 5.654 11.835 6.310 1.00 73.51 H new ATOM 0 HA GLU A 38 3.706 12.421 4.397 1.00 23.35 H new ATOM 0 HB2 GLU A 38 3.676 12.680 7.447 1.00 73.55 H new ATOM 0 HB3 GLU A 38 2.236 12.811 6.457 1.00 73.55 H new ATOM 0 HG2 GLU A 38 2.548 10.468 5.677 1.00 21.13 H new ATOM 0 HG3 GLU A 38 4.005 10.333 6.642 1.00 21.13 H new ATOM 596 N ARG A 39 4.964 15.124 5.774 1.00 24.34 N ATOM 597 CA ARG A 39 5.059 16.609 5.636 1.00 34.03 C ATOM 598 C ARG A 39 5.094 17.019 4.140 1.00 75.20 C ATOM 599 O ARG A 39 4.493 18.012 3.729 1.00 22.22 O ATOM 600 CB ARG A 39 6.345 17.172 6.327 1.00 51.54 C ATOM 601 CG ARG A 39 6.660 16.620 7.730 1.00 23.20 C ATOM 602 CD ARG A 39 5.555 16.839 8.782 1.00 62.23 C ATOM 603 NE ARG A 39 5.871 16.134 10.039 1.00 32.55 N ATOM 604 CZ ARG A 39 5.060 15.995 11.065 1.00 74.41 C ATOM 605 NH1 ARG A 39 3.876 16.521 11.074 1.00 61.23 N ATOM 606 NH2 ARG A 39 5.455 15.318 12.087 1.00 74.12 N ATOM 0 H ARG A 39 5.717 14.715 6.327 1.00 24.34 H new ATOM 0 HA ARG A 39 4.177 17.026 6.122 1.00 34.03 H new ATOM 0 HB2 ARG A 39 7.198 16.970 5.680 1.00 51.54 H new ATOM 0 HB3 ARG A 39 6.249 18.255 6.399 1.00 51.54 H new ATOM 0 HG2 ARG A 39 6.855 15.551 7.647 1.00 23.20 H new ATOM 0 HG3 ARG A 39 7.579 17.085 8.088 1.00 23.20 H new ATOM 0 HD2 ARG A 39 5.441 17.905 8.978 1.00 62.23 H new ATOM 0 HD3 ARG A 39 4.601 16.483 8.392 1.00 62.23 H new ATOM 0 HE ARG A 39 6.799 15.718 10.119 1.00 32.55 H new ATOM 0 HH11 ARG A 39 3.551 17.060 10.271 1.00 61.23 H new ATOM 0 HH12 ARG A 39 3.269 16.396 11.884 1.00 61.23 H new ATOM 0 HH21 ARG A 39 6.385 14.899 12.093 1.00 74.12 H new ATOM 0 HH22 ARG A 39 4.838 15.201 12.891 1.00 74.12 H new ATOM 620 N TYR A 40 5.834 16.228 3.351 1.00 23.11 N ATOM 621 CA TYR A 40 6.027 16.443 1.901 1.00 43.11 C ATOM 622 C TYR A 40 4.871 15.830 1.075 1.00 5.11 C ATOM 623 O TYR A 40 4.448 16.425 0.076 1.00 73.21 O ATOM 624 CB TYR A 40 7.393 15.863 1.474 1.00 33.00 C ATOM 625 CG TYR A 40 8.607 16.620 2.039 1.00 55.02 C ATOM 626 CD1 TYR A 40 8.792 16.793 3.419 1.00 4.32 C ATOM 627 CD2 TYR A 40 9.577 17.154 1.194 1.00 53.30 C ATOM 628 CE1 TYR A 40 9.884 17.466 3.920 1.00 32.34 C ATOM 629 CE2 TYR A 40 10.668 17.823 1.695 1.00 15.32 C ATOM 630 CZ TYR A 40 10.819 17.979 3.052 1.00 62.02 C ATOM 631 OH TYR A 40 11.917 18.644 3.541 1.00 15.33 O ATOM 0 H TYR A 40 6.325 15.406 3.703 1.00 23.11 H new ATOM 0 HA TYR A 40 6.019 17.515 1.702 1.00 43.11 H new ATOM 0 HB2 TYR A 40 7.448 14.822 1.793 1.00 33.00 H new ATOM 0 HB3 TYR A 40 7.452 15.867 0.386 1.00 33.00 H new ATOM 0 HD1 TYR A 40 8.061 16.389 4.104 1.00 4.32 H new ATOM 0 HD2 TYR A 40 9.470 17.040 0.125 1.00 53.30 H new ATOM 0 HE1 TYR A 40 10.005 17.590 4.986 1.00 32.34 H new ATOM 0 HE2 TYR A 40 11.408 18.227 1.021 1.00 15.32 H new ATOM 0 HH TYR A 40 12.152 18.284 4.422 1.00 15.33 H new ATOM 641 N ILE A 41 4.400 14.626 1.482 1.00 23.33 N ATOM 642 CA ILE A 41 3.176 13.984 0.918 1.00 33.14 C ATOM 643 C ILE A 41 1.971 14.977 0.868 1.00 32.32 C ATOM 644 O ILE A 41 1.324 15.102 -0.164 1.00 75.33 O ATOM 645 CB ILE A 41 2.779 12.643 1.705 1.00 41.22 C ATOM 646 CG1 ILE A 41 3.559 11.378 1.176 1.00 53.05 C ATOM 647 CG2 ILE A 41 1.252 12.357 1.675 1.00 31.44 C ATOM 648 CD1 ILE A 41 5.052 11.359 1.421 1.00 21.02 C ATOM 0 H ILE A 41 4.853 14.070 2.208 1.00 23.33 H new ATOM 0 HA ILE A 41 3.420 13.702 -0.106 1.00 33.14 H new ATOM 0 HB ILE A 41 3.074 12.827 2.738 1.00 41.22 H new ATOM 0 HG12 ILE A 41 3.125 10.491 1.638 1.00 53.05 H new ATOM 0 HG13 ILE A 41 3.387 11.295 0.103 1.00 53.05 H new ATOM 0 HG21 ILE A 41 1.043 11.438 2.223 1.00 31.44 H new ATOM 0 HG22 ILE A 41 0.717 13.186 2.139 1.00 31.44 H new ATOM 0 HG23 ILE A 41 0.923 12.246 0.642 1.00 31.44 H new ATOM 0 HD11 ILE A 41 5.476 10.441 1.013 1.00 21.02 H new ATOM 0 HD12 ILE A 41 5.512 12.219 0.934 1.00 21.02 H new ATOM 0 HD13 ILE A 41 5.245 11.403 2.493 1.00 21.02 H new ATOM 660 N GLN A 42 1.682 15.674 1.984 1.00 32.34 N ATOM 661 CA GLN A 42 0.601 16.694 2.015 1.00 43.32 C ATOM 662 C GLN A 42 0.985 17.969 1.218 1.00 20.52 C ATOM 663 O GLN A 42 0.117 18.613 0.622 1.00 30.12 O ATOM 664 CB GLN A 42 0.232 17.084 3.468 1.00 74.12 C ATOM 665 CG GLN A 42 1.398 17.679 4.296 1.00 20.14 C ATOM 666 CD GLN A 42 0.951 18.583 5.440 1.00 61.50 C ATOM 667 OE1 GLN A 42 0.708 18.134 6.549 1.00 15.13 O ATOM 668 NE2 GLN A 42 0.847 19.871 5.170 1.00 21.40 N ATOM 0 H GLN A 42 2.173 15.556 2.870 1.00 32.34 H new ATOM 0 HA GLN A 42 -0.267 16.238 1.539 1.00 43.32 H new ATOM 0 HB2 GLN A 42 -0.582 17.809 3.439 1.00 74.12 H new ATOM 0 HB3 GLN A 42 -0.146 16.200 3.982 1.00 74.12 H new ATOM 0 HG2 GLN A 42 1.994 16.862 4.704 1.00 20.14 H new ATOM 0 HG3 GLN A 42 2.049 18.247 3.631 1.00 20.14 H new ATOM 0 HE21 GLN A 42 1.057 20.214 4.233 1.00 21.40 H new ATOM 0 HE22 GLN A 42 0.556 20.523 5.899 1.00 21.40 H new ATOM 677 N TRP A 43 2.295 18.309 1.216 1.00 3.34 N ATOM 678 CA TRP A 43 2.826 19.542 0.586 1.00 63.41 C ATOM 679 C TRP A 43 2.562 19.571 -0.941 1.00 31.24 C ATOM 680 O TRP A 43 2.183 20.602 -1.501 1.00 35.12 O ATOM 681 CB TRP A 43 4.342 19.677 0.871 1.00 14.52 C ATOM 682 CG TRP A 43 4.969 20.956 0.354 1.00 60.42 C ATOM 683 CD1 TRP A 43 4.825 22.210 0.878 1.00 1.02 C ATOM 684 CD2 TRP A 43 5.837 21.099 -0.785 1.00 34.12 C ATOM 685 NE1 TRP A 43 5.536 23.117 0.137 1.00 32.31 N ATOM 686 CE2 TRP A 43 6.170 22.461 -0.883 1.00 21.21 C ATOM 687 CE3 TRP A 43 6.365 20.206 -1.727 1.00 1.15 C ATOM 688 CZ2 TRP A 43 7.003 22.954 -1.883 1.00 41.43 C ATOM 689 CZ3 TRP A 43 7.193 20.698 -2.719 1.00 22.11 C ATOM 690 CH2 TRP A 43 7.509 22.062 -2.787 1.00 4.14 C ATOM 0 H TRP A 43 3.016 17.735 1.652 1.00 3.34 H new ATOM 0 HA TRP A 43 2.300 20.389 1.025 1.00 63.41 H new ATOM 0 HB2 TRP A 43 4.503 19.618 1.947 1.00 14.52 H new ATOM 0 HB3 TRP A 43 4.859 18.828 0.425 1.00 14.52 H new ATOM 0 HD1 TRP A 43 4.236 22.451 1.750 1.00 1.02 H new ATOM 0 HE1 TRP A 43 5.585 24.120 0.317 1.00 32.31 H new ATOM 0 HE3 TRP A 43 6.130 19.153 -1.679 1.00 1.15 H new ATOM 0 HZ2 TRP A 43 7.242 24.006 -1.943 1.00 41.43 H new ATOM 0 HZ3 TRP A 43 7.603 20.020 -3.453 1.00 22.11 H new ATOM 0 HH2 TRP A 43 8.165 22.415 -3.569 1.00 4.14 H new ATOM 701 N VAL A 44 2.799 18.437 -1.605 1.00 14.35 N ATOM 702 CA VAL A 44 2.461 18.265 -3.037 1.00 44.03 C ATOM 703 C VAL A 44 0.927 18.245 -3.266 1.00 22.44 C ATOM 704 O VAL A 44 0.446 18.818 -4.239 1.00 10.12 O ATOM 705 CB VAL A 44 3.131 16.978 -3.644 1.00 72.32 C ATOM 706 CG1 VAL A 44 2.940 15.761 -2.729 1.00 71.41 C ATOM 707 CG2 VAL A 44 2.617 16.675 -5.083 1.00 41.34 C ATOM 0 H VAL A 44 3.226 17.615 -1.179 1.00 14.35 H new ATOM 0 HA VAL A 44 2.866 19.130 -3.561 1.00 44.03 H new ATOM 0 HB VAL A 44 4.199 17.183 -3.715 1.00 72.32 H new ATOM 0 HG11 VAL A 44 3.415 14.889 -3.179 1.00 71.41 H new ATOM 0 HG12 VAL A 44 3.394 15.961 -1.758 1.00 71.41 H new ATOM 0 HG13 VAL A 44 1.875 15.567 -2.599 1.00 71.41 H new ATOM 0 HG21 VAL A 44 3.106 15.778 -5.463 1.00 41.34 H new ATOM 0 HG22 VAL A 44 1.539 16.517 -5.059 1.00 41.34 H new ATOM 0 HG23 VAL A 44 2.846 17.517 -5.736 1.00 41.34 H new ATOM 717 N GLU A 45 0.164 17.620 -2.355 1.00 50.04 N ATOM 718 CA GLU A 45 -1.313 17.536 -2.480 1.00 72.23 C ATOM 719 C GLU A 45 -1.982 18.934 -2.401 1.00 71.10 C ATOM 720 O GLU A 45 -3.011 19.178 -3.042 1.00 34.22 O ATOM 721 CB GLU A 45 -1.906 16.571 -1.415 1.00 21.05 C ATOM 722 CG GLU A 45 -1.477 15.093 -1.581 1.00 73.42 C ATOM 723 CD GLU A 45 -2.002 14.430 -2.872 1.00 50.12 C ATOM 724 OE1 GLU A 45 -1.448 14.681 -3.966 1.00 24.12 O ATOM 725 OE2 GLU A 45 -2.979 13.654 -2.800 1.00 32.21 O ATOM 0 H GLU A 45 0.538 17.164 -1.523 1.00 50.04 H new ATOM 0 HA GLU A 45 -1.533 17.130 -3.468 1.00 72.23 H new ATOM 0 HB2 GLU A 45 -1.607 16.914 -0.425 1.00 21.05 H new ATOM 0 HB3 GLU A 45 -2.994 16.628 -1.457 1.00 21.05 H new ATOM 0 HG2 GLU A 45 -0.388 15.038 -1.573 1.00 73.42 H new ATOM 0 HG3 GLU A 45 -1.831 14.523 -0.722 1.00 73.42 H new ATOM 732 N GLU A 46 -1.379 19.857 -1.625 1.00 22.54 N ATOM 733 CA GLU A 46 -1.897 21.239 -1.467 1.00 41.24 C ATOM 734 C GLU A 46 -1.333 22.221 -2.549 1.00 43.23 C ATOM 735 O GLU A 46 -2.105 22.942 -3.188 1.00 45.23 O ATOM 736 CB GLU A 46 -1.618 21.756 -0.025 1.00 73.43 C ATOM 737 CG GLU A 46 -0.128 21.843 0.353 1.00 13.13 C ATOM 738 CD GLU A 46 0.138 22.319 1.785 1.00 13.40 C ATOM 739 OE1 GLU A 46 -0.165 23.488 2.098 1.00 34.35 O ATOM 740 OE2 GLU A 46 0.647 21.530 2.607 1.00 52.53 O ATOM 0 H GLU A 46 -0.528 19.673 -1.094 1.00 22.54 H new ATOM 0 HA GLU A 46 -2.975 21.205 -1.623 1.00 41.24 H new ATOM 0 HB2 GLU A 46 -2.064 22.744 0.084 1.00 73.43 H new ATOM 0 HB3 GLU A 46 -2.121 21.099 0.685 1.00 73.43 H new ATOM 0 HG2 GLU A 46 0.325 20.861 0.220 1.00 13.13 H new ATOM 0 HG3 GLU A 46 0.371 22.521 -0.340 1.00 13.13 H new ATOM 747 N ASN A 47 0.005 22.237 -2.766 1.00 64.33 N ATOM 748 CA ASN A 47 0.672 23.213 -3.685 1.00 35.44 C ATOM 749 C ASN A 47 0.670 22.757 -5.166 1.00 33.41 C ATOM 750 O ASN A 47 0.624 23.593 -6.073 1.00 10.44 O ATOM 751 CB ASN A 47 2.131 23.496 -3.235 1.00 3.15 C ATOM 752 CG ASN A 47 2.212 24.214 -1.887 1.00 51.34 C ATOM 753 OD1 ASN A 47 2.131 25.432 -1.812 1.00 32.30 O ATOM 754 ND2 ASN A 47 2.395 23.480 -0.814 1.00 0.13 N ATOM 0 H ASN A 47 0.651 21.586 -2.319 1.00 64.33 H new ATOM 0 HA ASN A 47 0.082 24.127 -3.623 1.00 35.44 H new ATOM 0 HB2 ASN A 47 2.675 22.554 -3.172 1.00 3.15 H new ATOM 0 HB3 ASN A 47 2.628 24.101 -3.993 1.00 3.15 H new ATOM 0 HD21 ASN A 47 2.472 23.924 0.101 1.00 0.13 H new ATOM 0 HD22 ASN A 47 2.460 22.465 -0.895 1.00 0.13 H new ATOM 761 N PHE A 48 0.722 21.433 -5.413 1.00 3.32 N ATOM 762 CA PHE A 48 0.840 20.862 -6.790 1.00 62.13 C ATOM 763 C PHE A 48 -0.224 19.749 -7.048 1.00 43.31 C ATOM 764 O PHE A 48 0.135 18.573 -7.188 1.00 45.54 O ATOM 765 CB PHE A 48 2.268 20.280 -7.002 1.00 54.41 C ATOM 766 CG PHE A 48 3.408 21.280 -6.824 1.00 62.34 C ATOM 767 CD1 PHE A 48 3.712 22.210 -7.824 1.00 13.35 C ATOM 768 CD2 PHE A 48 4.184 21.291 -5.662 1.00 34.14 C ATOM 769 CE1 PHE A 48 4.748 23.107 -7.661 1.00 1.31 C ATOM 770 CE2 PHE A 48 5.219 22.193 -5.509 1.00 22.23 C ATOM 771 CZ PHE A 48 5.502 23.099 -6.506 1.00 73.45 C ATOM 0 H PHE A 48 0.685 20.726 -4.678 1.00 3.32 H new ATOM 0 HA PHE A 48 0.660 21.670 -7.500 1.00 62.13 H new ATOM 0 HB2 PHE A 48 2.415 19.457 -6.303 1.00 54.41 H new ATOM 0 HB3 PHE A 48 2.327 19.860 -8.006 1.00 54.41 H new ATOM 0 HD1 PHE A 48 3.130 22.226 -8.733 1.00 13.35 H new ATOM 0 HD2 PHE A 48 3.972 20.585 -4.873 1.00 34.14 H new ATOM 0 HE1 PHE A 48 4.970 23.819 -8.442 1.00 1.31 H new ATOM 0 HE2 PHE A 48 5.808 22.187 -4.604 1.00 22.23 H new ATOM 0 HZ PHE A 48 6.313 23.802 -6.384 1.00 73.45 H new ATOM 781 N PRO A 49 -1.557 20.086 -7.111 1.00 2.02 N ATOM 782 CA PRO A 49 -2.620 19.066 -7.344 1.00 74.25 C ATOM 783 C PRO A 49 -2.543 18.438 -8.761 1.00 31.14 C ATOM 784 O PRO A 49 -2.773 17.239 -8.935 1.00 34.00 O ATOM 785 CB PRO A 49 -3.932 19.866 -7.134 1.00 3.51 C ATOM 786 CG PRO A 49 -3.563 21.292 -7.436 1.00 71.43 C ATOM 787 CD PRO A 49 -2.134 21.455 -6.954 1.00 34.11 C ATOM 0 HA PRO A 49 -2.530 18.210 -6.675 1.00 74.25 H new ATOM 0 HB2 PRO A 49 -4.722 19.513 -7.797 1.00 3.51 H new ATOM 0 HB3 PRO A 49 -4.301 19.760 -6.114 1.00 3.51 H new ATOM 0 HG2 PRO A 49 -3.643 21.500 -8.503 1.00 71.43 H new ATOM 0 HG3 PRO A 49 -4.230 21.986 -6.925 1.00 71.43 H new ATOM 0 HD2 PRO A 49 -1.591 22.190 -7.548 1.00 34.11 H new ATOM 0 HD3 PRO A 49 -2.095 21.791 -5.918 1.00 34.11 H new ATOM 795 N GLU A 50 -2.182 19.267 -9.763 1.00 72.43 N ATOM 796 CA GLU A 50 -2.054 18.837 -11.176 1.00 11.15 C ATOM 797 C GLU A 50 -0.667 18.221 -11.471 1.00 43.24 C ATOM 798 O GLU A 50 -0.457 17.652 -12.545 1.00 32.11 O ATOM 799 CB GLU A 50 -2.326 20.034 -12.116 1.00 62.24 C ATOM 800 CG GLU A 50 -3.718 20.669 -11.936 1.00 61.53 C ATOM 801 CD GLU A 50 -3.951 21.873 -12.862 1.00 20.11 C ATOM 802 OE1 GLU A 50 -4.196 21.663 -14.072 1.00 4.22 O ATOM 803 OE2 GLU A 50 -3.875 23.032 -12.392 1.00 73.44 O ATOM 0 H GLU A 50 -1.970 20.254 -9.618 1.00 72.43 H new ATOM 0 HA GLU A 50 -2.796 18.059 -11.356 1.00 11.15 H new ATOM 0 HB2 GLU A 50 -1.566 20.796 -11.946 1.00 62.24 H new ATOM 0 HB3 GLU A 50 -2.220 19.703 -13.149 1.00 62.24 H new ATOM 0 HG2 GLU A 50 -4.483 19.916 -12.128 1.00 61.53 H new ATOM 0 HG3 GLU A 50 -3.836 20.986 -10.900 1.00 61.53 H new ATOM 810 N ASN A 51 0.268 18.330 -10.507 1.00 70.31 N ATOM 811 CA ASN A 51 1.612 17.723 -10.604 1.00 41.14 C ATOM 812 C ASN A 51 1.789 16.639 -9.516 1.00 41.05 C ATOM 813 O ASN A 51 2.350 16.881 -8.438 1.00 54.23 O ATOM 814 CB ASN A 51 2.713 18.807 -10.514 1.00 24.33 C ATOM 815 CG ASN A 51 2.726 19.737 -11.725 1.00 43.44 C ATOM 816 OD1 ASN A 51 2.057 20.760 -11.750 1.00 72.42 O ATOM 817 ND2 ASN A 51 3.477 19.381 -12.747 1.00 11.04 N ATOM 0 H ASN A 51 0.114 18.842 -9.638 1.00 70.31 H new ATOM 0 HA ASN A 51 1.710 17.241 -11.577 1.00 41.14 H new ATOM 0 HB2 ASN A 51 2.563 19.397 -9.610 1.00 24.33 H new ATOM 0 HB3 ASN A 51 3.686 18.324 -10.422 1.00 24.33 H new ATOM 0 HD21 ASN A 51 3.509 19.964 -13.584 1.00 11.04 H new ATOM 0 HD22 ASN A 51 4.026 18.523 -12.702 1.00 11.04 H new ATOM 824 N LYS A 52 1.271 15.439 -9.826 1.00 43.42 N ATOM 825 CA LYS A 52 1.376 14.234 -8.969 1.00 54.20 C ATOM 826 C LYS A 52 2.829 13.678 -8.923 1.00 11.02 C ATOM 827 O LYS A 52 3.160 12.843 -8.071 1.00 34.13 O ATOM 828 CB LYS A 52 0.385 13.158 -9.510 1.00 21.02 C ATOM 829 CG LYS A 52 0.054 12.020 -8.530 1.00 11.13 C ATOM 830 CD LYS A 52 -0.645 12.501 -7.234 1.00 74.02 C ATOM 831 CE LYS A 52 -2.109 12.956 -7.414 1.00 65.10 C ATOM 832 NZ LYS A 52 -2.256 14.250 -8.135 1.00 3.54 N ATOM 0 H LYS A 52 0.758 15.270 -10.692 1.00 43.42 H new ATOM 0 HA LYS A 52 1.116 14.502 -7.945 1.00 54.20 H new ATOM 0 HB2 LYS A 52 -0.544 13.653 -9.794 1.00 21.02 H new ATOM 0 HB3 LYS A 52 0.805 12.724 -10.417 1.00 21.02 H new ATOM 0 HG2 LYS A 52 -0.588 11.295 -9.031 1.00 11.13 H new ATOM 0 HG3 LYS A 52 0.975 11.501 -8.265 1.00 11.13 H new ATOM 0 HD2 LYS A 52 -0.619 11.693 -6.503 1.00 74.02 H new ATOM 0 HD3 LYS A 52 -0.072 13.328 -6.815 1.00 74.02 H new ATOM 0 HE2 LYS A 52 -2.654 12.185 -7.958 1.00 65.10 H new ATOM 0 HE3 LYS A 52 -2.575 13.044 -6.432 1.00 65.10 H new ATOM 0 HZ1 LYS A 52 -3.020 14.805 -7.699 1.00 3.54 H new ATOM 0 HZ2 LYS A 52 -1.364 14.782 -8.078 1.00 3.54 H new ATOM 0 HZ3 LYS A 52 -2.487 14.067 -9.132 1.00 3.54 H new ATOM 846 N GLU A 53 3.681 14.181 -9.847 1.00 4.04 N ATOM 847 CA GLU A 53 5.108 13.805 -9.988 1.00 45.31 C ATOM 848 C GLU A 53 5.899 13.849 -8.650 1.00 22.01 C ATOM 849 O GLU A 53 6.725 12.969 -8.401 1.00 0.13 O ATOM 850 CB GLU A 53 5.784 14.733 -11.041 1.00 74.32 C ATOM 851 CG GLU A 53 5.623 16.239 -10.751 1.00 72.12 C ATOM 852 CD GLU A 53 6.376 17.157 -11.724 1.00 3.13 C ATOM 853 OE1 GLU A 53 5.838 17.474 -12.800 1.00 32.35 O ATOM 854 OE2 GLU A 53 7.508 17.569 -11.411 1.00 23.12 O ATOM 0 H GLU A 53 3.388 14.877 -10.532 1.00 4.04 H new ATOM 0 HA GLU A 53 5.132 12.767 -10.319 1.00 45.31 H new ATOM 0 HB2 GLU A 53 6.847 14.495 -11.090 1.00 74.32 H new ATOM 0 HB3 GLU A 53 5.364 14.516 -12.023 1.00 74.32 H new ATOM 0 HG2 GLU A 53 4.563 16.491 -10.780 1.00 72.12 H new ATOM 0 HG3 GLU A 53 5.971 16.441 -9.738 1.00 72.12 H new ATOM 861 N TYR A 54 5.632 14.868 -7.794 1.00 13.20 N ATOM 862 CA TYR A 54 6.314 15.004 -6.484 1.00 74.23 C ATOM 863 C TYR A 54 5.839 13.904 -5.510 1.00 25.12 C ATOM 864 O TYR A 54 6.662 13.257 -4.872 1.00 0.12 O ATOM 865 CB TYR A 54 6.076 16.395 -5.841 1.00 74.24 C ATOM 866 CG TYR A 54 6.395 17.612 -6.730 1.00 33.23 C ATOM 867 CD1 TYR A 54 5.471 18.082 -7.666 1.00 11.05 C ATOM 868 CD2 TYR A 54 7.603 18.303 -6.622 1.00 21.42 C ATOM 869 CE1 TYR A 54 5.743 19.178 -8.457 1.00 70.22 C ATOM 870 CE2 TYR A 54 7.873 19.407 -7.412 1.00 50.34 C ATOM 871 CZ TYR A 54 6.937 19.837 -8.328 1.00 23.45 C ATOM 872 OH TYR A 54 7.187 20.938 -9.110 1.00 60.03 O ATOM 0 H TYR A 54 4.952 15.604 -7.987 1.00 13.20 H new ATOM 0 HA TYR A 54 7.382 14.896 -6.672 1.00 74.23 H new ATOM 0 HB2 TYR A 54 5.032 16.458 -5.534 1.00 74.24 H new ATOM 0 HB3 TYR A 54 6.679 16.463 -4.936 1.00 74.24 H new ATOM 0 HD1 TYR A 54 4.523 17.576 -7.772 1.00 11.05 H new ATOM 0 HD2 TYR A 54 8.342 17.970 -5.908 1.00 21.42 H new ATOM 0 HE1 TYR A 54 5.014 19.517 -9.179 1.00 70.22 H new ATOM 0 HE2 TYR A 54 8.813 19.929 -7.311 1.00 50.34 H new ATOM 0 HH TYR A 54 8.076 20.857 -9.515 1.00 60.03 H new ATOM 882 N LEU A 55 4.502 13.694 -5.436 1.00 73.15 N ATOM 883 CA LEU A 55 3.886 12.715 -4.509 1.00 3.14 C ATOM 884 C LEU A 55 4.390 11.292 -4.771 1.00 30.43 C ATOM 885 O LEU A 55 4.930 10.655 -3.869 1.00 71.10 O ATOM 886 CB LEU A 55 2.334 12.734 -4.608 1.00 1.40 C ATOM 887 CG LEU A 55 1.592 11.798 -3.595 1.00 62.30 C ATOM 888 CD1 LEU A 55 1.847 12.222 -2.137 1.00 35.15 C ATOM 889 CD2 LEU A 55 0.090 11.716 -3.891 1.00 53.04 C ATOM 0 H LEU A 55 3.826 14.194 -6.013 1.00 73.15 H new ATOM 0 HA LEU A 55 4.182 13.014 -3.504 1.00 3.14 H new ATOM 0 HB2 LEU A 55 1.988 13.756 -4.455 1.00 1.40 H new ATOM 0 HB3 LEU A 55 2.046 12.449 -5.620 1.00 1.40 H new ATOM 0 HG LEU A 55 2.007 10.799 -3.726 1.00 62.30 H new ATOM 0 HD11 LEU A 55 1.316 11.549 -1.464 1.00 35.15 H new ATOM 0 HD12 LEU A 55 2.916 12.177 -1.926 1.00 35.15 H new ATOM 0 HD13 LEU A 55 1.491 13.241 -1.987 1.00 35.15 H new ATOM 0 HD21 LEU A 55 -0.388 11.057 -3.166 1.00 53.04 H new ATOM 0 HD22 LEU A 55 -0.349 12.711 -3.822 1.00 53.04 H new ATOM 0 HD23 LEU A 55 -0.062 11.321 -4.896 1.00 53.04 H new ATOM 901 N ILE A 56 4.218 10.830 -6.027 1.00 54.43 N ATOM 902 CA ILE A 56 4.641 9.487 -6.462 1.00 41.23 C ATOM 903 C ILE A 56 6.132 9.251 -6.168 1.00 22.24 C ATOM 904 O ILE A 56 6.483 8.229 -5.614 1.00 43.33 O ATOM 905 CB ILE A 56 4.352 9.261 -7.990 1.00 53.24 C ATOM 906 CG1 ILE A 56 2.837 9.471 -8.293 1.00 53.14 C ATOM 907 CG2 ILE A 56 4.812 7.853 -8.438 1.00 61.41 C ATOM 908 CD1 ILE A 56 2.476 9.390 -9.766 1.00 41.31 C ATOM 0 H ILE A 56 3.781 11.380 -6.767 1.00 54.43 H new ATOM 0 HA ILE A 56 4.056 8.766 -5.891 1.00 41.23 H new ATOM 0 HB ILE A 56 4.923 9.995 -8.558 1.00 53.24 H new ATOM 0 HG12 ILE A 56 2.263 8.721 -7.749 1.00 53.14 H new ATOM 0 HG13 ILE A 56 2.534 10.445 -7.910 1.00 53.14 H new ATOM 0 HG21 ILE A 56 4.601 7.722 -9.499 1.00 61.41 H new ATOM 0 HG22 ILE A 56 5.883 7.748 -8.266 1.00 61.41 H new ATOM 0 HG23 ILE A 56 4.276 7.096 -7.865 1.00 61.41 H new ATOM 0 HD11 ILE A 56 1.404 9.547 -9.887 1.00 41.31 H new ATOM 0 HD12 ILE A 56 3.020 10.158 -10.317 1.00 41.31 H new ATOM 0 HD13 ILE A 56 2.744 8.407 -10.153 1.00 41.31 H new ATOM 920 N THR A 57 6.971 10.252 -6.500 1.00 13.41 N ATOM 921 CA THR A 57 8.426 10.271 -6.188 1.00 52.44 C ATOM 922 C THR A 57 8.726 9.920 -4.711 1.00 35.20 C ATOM 923 O THR A 57 9.580 9.067 -4.418 1.00 61.42 O ATOM 924 CB THR A 57 9.024 11.681 -6.558 1.00 65.44 C ATOM 925 OG1 THR A 57 9.338 11.731 -7.963 1.00 71.10 O ATOM 926 CG2 THR A 57 10.259 12.087 -5.741 1.00 61.13 C ATOM 0 H THR A 57 6.659 11.085 -7.000 1.00 13.41 H new ATOM 0 HA THR A 57 8.903 9.498 -6.790 1.00 52.44 H new ATOM 0 HB THR A 57 8.246 12.402 -6.306 1.00 65.44 H new ATOM 0 HG1 THR A 57 8.596 12.148 -8.449 1.00 71.10 H new ATOM 0 HG21 THR A 57 10.602 13.070 -6.064 1.00 61.13 H new ATOM 0 HG22 THR A 57 10.000 12.122 -4.683 1.00 61.13 H new ATOM 0 HG23 THR A 57 11.054 11.357 -5.896 1.00 61.13 H new ATOM 934 N LEU A 58 8.003 10.584 -3.797 1.00 21.43 N ATOM 935 CA LEU A 58 8.131 10.368 -2.345 1.00 63.45 C ATOM 936 C LEU A 58 7.681 8.943 -1.960 1.00 41.21 C ATOM 937 O LEU A 58 8.356 8.279 -1.196 1.00 43.43 O ATOM 938 CB LEU A 58 7.296 11.434 -1.596 1.00 31.02 C ATOM 939 CG LEU A 58 7.663 12.915 -1.930 1.00 1.43 C ATOM 940 CD1 LEU A 58 6.596 13.895 -1.453 1.00 41.30 C ATOM 941 CD2 LEU A 58 9.055 13.298 -1.397 1.00 75.52 C ATOM 0 H LEU A 58 7.309 11.290 -4.044 1.00 21.43 H new ATOM 0 HA LEU A 58 9.178 10.468 -2.058 1.00 63.45 H new ATOM 0 HB2 LEU A 58 6.242 11.276 -1.826 1.00 31.02 H new ATOM 0 HB3 LEU A 58 7.415 11.279 -0.524 1.00 31.02 H new ATOM 0 HG LEU A 58 7.700 12.986 -3.017 1.00 1.43 H new ATOM 0 HD11 LEU A 58 6.896 14.912 -1.708 1.00 41.30 H new ATOM 0 HD12 LEU A 58 5.647 13.664 -1.938 1.00 41.30 H new ATOM 0 HD13 LEU A 58 6.481 13.811 -0.372 1.00 41.30 H new ATOM 0 HD21 LEU A 58 9.269 14.336 -1.652 1.00 75.52 H new ATOM 0 HD22 LEU A 58 9.075 13.178 -0.314 1.00 75.52 H new ATOM 0 HD23 LEU A 58 9.808 12.651 -1.848 1.00 75.52 H new ATOM 953 N LEU A 59 6.570 8.477 -2.566 1.00 35.21 N ATOM 954 CA LEU A 59 5.955 7.154 -2.280 1.00 42.02 C ATOM 955 C LEU A 59 6.861 5.974 -2.730 1.00 32.30 C ATOM 956 O LEU A 59 6.955 4.960 -2.024 1.00 3.13 O ATOM 957 CB LEU A 59 4.572 7.069 -2.965 1.00 61.13 C ATOM 958 CG LEU A 59 3.516 8.130 -2.521 1.00 71.14 C ATOM 959 CD1 LEU A 59 2.269 8.080 -3.425 1.00 44.21 C ATOM 960 CD2 LEU A 59 3.138 7.974 -1.029 1.00 32.22 C ATOM 0 H LEU A 59 6.066 9.009 -3.275 1.00 35.21 H new ATOM 0 HA LEU A 59 5.836 7.066 -1.200 1.00 42.02 H new ATOM 0 HB2 LEU A 59 4.717 7.160 -4.042 1.00 61.13 H new ATOM 0 HB3 LEU A 59 4.159 6.077 -2.781 1.00 61.13 H new ATOM 0 HG LEU A 59 3.972 9.113 -2.634 1.00 71.14 H new ATOM 0 HD11 LEU A 59 1.549 8.829 -3.094 1.00 44.21 H new ATOM 0 HD12 LEU A 59 2.558 8.285 -4.456 1.00 44.21 H new ATOM 0 HD13 LEU A 59 1.816 7.090 -3.366 1.00 44.21 H new ATOM 0 HD21 LEU A 59 2.401 8.731 -0.759 1.00 32.22 H new ATOM 0 HD22 LEU A 59 2.718 6.982 -0.862 1.00 32.22 H new ATOM 0 HD23 LEU A 59 4.029 8.099 -0.413 1.00 32.22 H new ATOM 972 N GLU A 60 7.506 6.117 -3.918 1.00 52.53 N ATOM 973 CA GLU A 60 8.522 5.158 -4.431 1.00 64.03 C ATOM 974 C GLU A 60 9.625 4.901 -3.383 1.00 54.43 C ATOM 975 O GLU A 60 9.938 3.762 -3.050 1.00 33.53 O ATOM 976 CB GLU A 60 9.210 5.693 -5.727 1.00 20.13 C ATOM 977 CG GLU A 60 8.278 6.039 -6.896 1.00 65.23 C ATOM 978 CD GLU A 60 9.036 6.480 -8.161 1.00 2.20 C ATOM 979 OE1 GLU A 60 9.508 7.636 -8.211 1.00 32.52 O ATOM 980 OE2 GLU A 60 9.179 5.662 -9.095 1.00 10.35 O ATOM 0 H GLU A 60 7.336 6.901 -4.548 1.00 52.53 H new ATOM 0 HA GLU A 60 7.989 4.233 -4.650 1.00 64.03 H new ATOM 0 HB2 GLU A 60 9.781 6.585 -5.469 1.00 20.13 H new ATOM 0 HB3 GLU A 60 9.925 4.945 -6.069 1.00 20.13 H new ATOM 0 HG2 GLU A 60 7.663 5.171 -7.132 1.00 65.23 H new ATOM 0 HG3 GLU A 60 7.600 6.836 -6.589 1.00 65.23 H new ATOM 987 N HIS A 61 10.196 6.002 -2.871 1.00 72.51 N ATOM 988 CA HIS A 61 11.317 5.969 -1.908 1.00 0.51 C ATOM 989 C HIS A 61 10.836 5.777 -0.451 1.00 24.42 C ATOM 990 O HIS A 61 11.635 5.443 0.420 1.00 53.45 O ATOM 991 CB HIS A 61 12.148 7.262 -2.052 1.00 32.40 C ATOM 992 CG HIS A 61 12.840 7.378 -3.387 1.00 63.24 C ATOM 993 ND1 HIS A 61 12.176 7.695 -4.555 1.00 73.21 N ATOM 994 CD2 HIS A 61 14.140 7.216 -3.736 1.00 31.01 C ATOM 995 CE1 HIS A 61 13.032 7.724 -5.551 1.00 32.03 C ATOM 996 NE2 HIS A 61 14.226 7.440 -5.084 1.00 1.14 N ATOM 0 H HIS A 61 9.895 6.946 -3.112 1.00 72.51 H new ATOM 0 HA HIS A 61 11.940 5.105 -2.140 1.00 0.51 H new ATOM 0 HB2 HIS A 61 11.495 8.123 -1.913 1.00 32.40 H new ATOM 0 HB3 HIS A 61 12.895 7.297 -1.259 1.00 32.40 H new ATOM 0 HD1 HIS A 61 11.176 7.878 -4.633 1.00 73.21 H new ATOM 0 HD2 HIS A 61 14.954 6.959 -3.075 1.00 31.01 H new ATOM 0 HE1 HIS A 61 12.794 7.944 -6.581 1.00 32.03 H new ATOM 1005 N LEU A 62 9.530 6.001 -0.211 1.00 53.43 N ATOM 1006 CA LEU A 62 8.883 5.829 1.112 1.00 43.13 C ATOM 1007 C LEU A 62 8.867 4.351 1.512 1.00 42.01 C ATOM 1008 O LEU A 62 9.289 3.980 2.617 1.00 55.53 O ATOM 1009 CB LEU A 62 7.430 6.379 1.056 1.00 42.22 C ATOM 1010 CG LEU A 62 6.591 6.308 2.366 1.00 10.34 C ATOM 1011 CD1 LEU A 62 7.266 7.093 3.493 1.00 43.34 C ATOM 1012 CD2 LEU A 62 5.150 6.806 2.129 1.00 4.33 C ATOM 0 H LEU A 62 8.883 6.310 -0.937 1.00 53.43 H new ATOM 0 HA LEU A 62 9.452 6.383 1.858 1.00 43.13 H new ATOM 0 HB2 LEU A 62 7.475 7.421 0.740 1.00 42.22 H new ATOM 0 HB3 LEU A 62 6.892 5.834 0.280 1.00 42.22 H new ATOM 0 HG LEU A 62 6.537 5.263 2.672 1.00 10.34 H new ATOM 0 HD11 LEU A 62 6.659 7.027 4.396 1.00 43.34 H new ATOM 0 HD12 LEU A 62 8.253 6.674 3.688 1.00 43.34 H new ATOM 0 HD13 LEU A 62 7.367 8.138 3.199 1.00 43.34 H new ATOM 0 HD21 LEU A 62 4.586 6.746 3.060 1.00 4.33 H new ATOM 0 HD22 LEU A 62 5.174 7.840 1.786 1.00 4.33 H new ATOM 0 HD23 LEU A 62 4.670 6.184 1.373 1.00 4.33 H new ATOM 1024 N MET A 63 8.382 3.512 0.576 1.00 32.52 N ATOM 1025 CA MET A 63 8.321 2.061 0.774 1.00 41.12 C ATOM 1026 C MET A 63 9.723 1.456 0.915 1.00 52.00 C ATOM 1027 O MET A 63 9.882 0.497 1.634 1.00 34.23 O ATOM 1028 CB MET A 63 7.536 1.369 -0.360 1.00 63.54 C ATOM 1029 CG MET A 63 8.165 1.489 -1.757 1.00 4.44 C ATOM 1030 SD MET A 63 7.103 0.831 -3.049 1.00 74.15 S ATOM 1031 CE MET A 63 5.656 1.855 -2.804 1.00 53.32 C ATOM 0 H MET A 63 8.026 3.822 -0.328 1.00 32.52 H new ATOM 0 HA MET A 63 7.785 1.885 1.707 1.00 41.12 H new ATOM 0 HB2 MET A 63 7.431 0.312 -0.116 1.00 63.54 H new ATOM 0 HB3 MET A 63 6.531 1.789 -0.394 1.00 63.54 H new ATOM 0 HG2 MET A 63 8.380 2.537 -1.966 1.00 4.44 H new ATOM 0 HG3 MET A 63 9.118 0.960 -1.770 1.00 4.44 H new ATOM 0 HE1 MET A 63 4.816 1.231 -2.499 1.00 53.32 H new ATOM 0 HE2 MET A 63 5.860 2.593 -2.029 1.00 53.32 H new ATOM 0 HE3 MET A 63 5.410 2.365 -3.735 1.00 53.32 H new ATOM 1041 N LYS A 64 10.727 2.042 0.225 1.00 50.21 N ATOM 1042 CA LYS A 64 12.138 1.588 0.295 1.00 41.40 C ATOM 1043 C LYS A 64 12.825 2.042 1.609 1.00 73.34 C ATOM 1044 O LYS A 64 13.662 1.317 2.157 1.00 3.14 O ATOM 1045 CB LYS A 64 12.936 2.096 -0.937 1.00 72.04 C ATOM 1046 CG LYS A 64 12.281 1.777 -2.299 1.00 22.20 C ATOM 1047 CD LYS A 64 12.056 0.264 -2.537 1.00 21.42 C ATOM 1048 CE LYS A 64 11.271 -0.013 -3.828 1.00 1.53 C ATOM 1049 NZ LYS A 64 11.041 -1.461 -4.038 1.00 1.13 N ATOM 0 H LYS A 64 10.585 2.840 -0.394 1.00 50.21 H new ATOM 0 HA LYS A 64 12.131 0.498 0.287 1.00 41.40 H new ATOM 0 HB2 LYS A 64 13.062 3.175 -0.853 1.00 72.04 H new ATOM 0 HB3 LYS A 64 13.933 1.656 -0.915 1.00 72.04 H new ATOM 0 HG2 LYS A 64 11.323 2.293 -2.362 1.00 22.20 H new ATOM 0 HG3 LYS A 64 12.909 2.173 -3.097 1.00 22.20 H new ATOM 0 HD2 LYS A 64 13.021 -0.241 -2.586 1.00 21.42 H new ATOM 0 HD3 LYS A 64 11.517 -0.159 -1.689 1.00 21.42 H new ATOM 0 HE2 LYS A 64 10.312 0.504 -3.787 1.00 1.53 H new ATOM 0 HE3 LYS A 64 11.817 0.394 -4.679 1.00 1.53 H new ATOM 0 HZ1 LYS A 64 10.678 -1.619 -5.000 1.00 1.13 H new ATOM 0 HZ2 LYS A 64 11.937 -1.976 -3.917 1.00 1.13 H new ATOM 0 HZ3 LYS A 64 10.347 -1.806 -3.345 1.00 1.13 H new ATOM 1063 N GLU A 65 12.447 3.237 2.104 1.00 4.11 N ATOM 1064 CA GLU A 65 12.963 3.803 3.371 1.00 15.45 C ATOM 1065 C GLU A 65 12.566 2.918 4.573 1.00 32.12 C ATOM 1066 O GLU A 65 13.375 2.668 5.466 1.00 74.43 O ATOM 1067 CB GLU A 65 12.407 5.244 3.567 1.00 50.54 C ATOM 1068 CG GLU A 65 12.773 5.945 4.902 1.00 0.03 C ATOM 1069 CD GLU A 65 14.275 6.224 5.071 1.00 24.41 C ATOM 1070 OE1 GLU A 65 14.815 7.071 4.322 1.00 35.24 O ATOM 1071 OE2 GLU A 65 14.917 5.614 5.956 1.00 51.23 O ATOM 0 H GLU A 65 11.772 3.841 1.636 1.00 4.11 H new ATOM 0 HA GLU A 65 14.051 3.837 3.316 1.00 15.45 H new ATOM 0 HB2 GLU A 65 12.765 5.864 2.745 1.00 50.54 H new ATOM 0 HB3 GLU A 65 11.321 5.206 3.487 1.00 50.54 H new ATOM 0 HG2 GLU A 65 12.229 6.888 4.966 1.00 0.03 H new ATOM 0 HG3 GLU A 65 12.434 5.324 5.731 1.00 0.03 H new ATOM 1078 N PHE A 66 11.295 2.480 4.593 1.00 25.15 N ATOM 1079 CA PHE A 66 10.749 1.635 5.686 1.00 73.51 C ATOM 1080 C PHE A 66 10.638 0.138 5.310 1.00 22.04 C ATOM 1081 O PHE A 66 10.112 -0.663 6.101 1.00 1.03 O ATOM 1082 CB PHE A 66 9.403 2.222 6.148 1.00 32.14 C ATOM 1083 CG PHE A 66 9.545 3.672 6.604 1.00 10.14 C ATOM 1084 CD1 PHE A 66 10.239 3.977 7.774 1.00 12.02 C ATOM 1085 CD2 PHE A 66 9.044 4.731 5.848 1.00 11.12 C ATOM 1086 CE1 PHE A 66 10.416 5.279 8.176 1.00 32.44 C ATOM 1087 CE2 PHE A 66 9.234 6.039 6.253 1.00 1.51 C ATOM 1088 CZ PHE A 66 9.916 6.310 7.415 1.00 15.20 C ATOM 0 H PHE A 66 10.617 2.696 3.862 1.00 25.15 H new ATOM 0 HA PHE A 66 11.456 1.656 6.515 1.00 73.51 H new ATOM 0 HB2 PHE A 66 8.683 2.166 5.332 1.00 32.14 H new ATOM 0 HB3 PHE A 66 9.005 1.621 6.966 1.00 32.14 H new ATOM 0 HD1 PHE A 66 10.644 3.176 8.375 1.00 12.02 H new ATOM 0 HD2 PHE A 66 8.502 4.527 4.936 1.00 11.12 H new ATOM 0 HE1 PHE A 66 10.949 5.493 9.091 1.00 32.44 H new ATOM 0 HE2 PHE A 66 8.846 6.850 5.655 1.00 1.51 H new ATOM 0 HZ PHE A 66 10.059 7.333 7.731 1.00 15.20 H new ATOM 1098 N LEU A 67 11.141 -0.223 4.107 1.00 30.02 N ATOM 1099 CA LEU A 67 11.142 -1.615 3.584 1.00 1.44 C ATOM 1100 C LEU A 67 11.755 -2.637 4.549 1.00 51.21 C ATOM 1101 O LEU A 67 11.196 -3.706 4.733 1.00 4.13 O ATOM 1102 CB LEU A 67 11.864 -1.688 2.203 1.00 41.42 C ATOM 1103 CG LEU A 67 11.462 -2.885 1.278 1.00 53.24 C ATOM 1104 CD1 LEU A 67 9.922 -2.973 1.095 1.00 33.41 C ATOM 1105 CD2 LEU A 67 12.169 -2.776 -0.091 1.00 62.22 C ATOM 0 H LEU A 67 11.562 0.447 3.464 1.00 30.02 H new ATOM 0 HA LEU A 67 10.093 -1.886 3.467 1.00 1.44 H new ATOM 0 HB2 LEU A 67 11.671 -0.759 1.666 1.00 41.42 H new ATOM 0 HB3 LEU A 67 12.938 -1.737 2.380 1.00 41.42 H new ATOM 0 HG LEU A 67 11.789 -3.804 1.765 1.00 53.24 H new ATOM 0 HD11 LEU A 67 9.680 -3.815 0.447 1.00 33.41 H new ATOM 0 HD12 LEU A 67 9.448 -3.114 2.066 1.00 33.41 H new ATOM 0 HD13 LEU A 67 9.556 -2.051 0.643 1.00 33.41 H new ATOM 0 HD21 LEU A 67 11.877 -3.617 -0.720 1.00 62.22 H new ATOM 0 HD22 LEU A 67 11.881 -1.843 -0.576 1.00 62.22 H new ATOM 0 HD23 LEU A 67 13.249 -2.790 0.055 1.00 62.22 H new ATOM 1117 N ASP A 68 12.905 -2.302 5.141 1.00 33.30 N ATOM 1118 CA ASP A 68 13.591 -3.166 6.135 1.00 34.53 C ATOM 1119 C ASP A 68 13.324 -2.697 7.587 1.00 5.53 C ATOM 1120 O ASP A 68 13.605 -3.440 8.535 1.00 13.34 O ATOM 1121 CB ASP A 68 15.106 -3.180 5.849 1.00 43.44 C ATOM 1122 CG ASP A 68 15.436 -3.573 4.402 1.00 71.22 C ATOM 1123 OD1 ASP A 68 15.105 -4.708 3.995 1.00 75.11 O ATOM 1124 OD2 ASP A 68 16.011 -2.750 3.658 1.00 23.11 O ATOM 0 H ASP A 68 13.395 -1.427 4.952 1.00 33.30 H new ATOM 0 HA ASP A 68 13.190 -4.175 6.040 1.00 34.53 H new ATOM 0 HB2 ASP A 68 15.519 -2.193 6.055 1.00 43.44 H new ATOM 0 HB3 ASP A 68 15.593 -3.878 6.530 1.00 43.44 H new ATOM 1129 N LYS A 69 12.786 -1.463 7.757 1.00 11.10 N ATOM 1130 CA LYS A 69 12.360 -0.947 9.084 1.00 62.23 C ATOM 1131 C LYS A 69 11.115 -1.729 9.575 1.00 40.24 C ATOM 1132 O LYS A 69 9.974 -1.355 9.282 1.00 35.42 O ATOM 1133 CB LYS A 69 12.049 0.572 9.016 1.00 24.23 C ATOM 1134 CG LYS A 69 13.198 1.460 8.497 1.00 75.45 C ATOM 1135 CD LYS A 69 14.442 1.475 9.409 1.00 21.41 C ATOM 1136 CE LYS A 69 14.156 2.063 10.801 1.00 64.53 C ATOM 1137 NZ LYS A 69 15.389 2.144 11.624 1.00 61.21 N ATOM 0 H LYS A 69 12.637 -0.806 6.991 1.00 11.10 H new ATOM 0 HA LYS A 69 13.177 -1.092 9.791 1.00 62.23 H new ATOM 0 HB2 LYS A 69 11.180 0.719 8.374 1.00 24.23 H new ATOM 0 HB3 LYS A 69 11.770 0.914 10.013 1.00 24.23 H new ATOM 0 HG2 LYS A 69 13.491 1.114 7.506 1.00 75.45 H new ATOM 0 HG3 LYS A 69 12.832 2.480 8.383 1.00 75.45 H new ATOM 0 HD2 LYS A 69 14.817 0.458 9.520 1.00 21.41 H new ATOM 0 HD3 LYS A 69 15.231 2.055 8.930 1.00 21.41 H new ATOM 0 HE2 LYS A 69 13.723 3.058 10.694 1.00 64.53 H new ATOM 0 HE3 LYS A 69 13.417 1.446 11.312 1.00 64.53 H new ATOM 0 HZ1 LYS A 69 15.159 2.545 12.556 1.00 61.21 H new ATOM 0 HZ2 LYS A 69 15.788 1.191 11.746 1.00 61.21 H new ATOM 0 HZ3 LYS A 69 16.085 2.753 11.148 1.00 61.21 H new ATOM 1151 N LYS A 70 11.368 -2.826 10.318 1.00 4.31 N ATOM 1152 CA LYS A 70 10.369 -3.871 10.632 1.00 4.22 C ATOM 1153 C LYS A 70 9.137 -3.368 11.412 1.00 1.34 C ATOM 1154 O LYS A 70 8.041 -3.890 11.213 1.00 54.52 O ATOM 1155 CB LYS A 70 11.049 -5.060 11.362 1.00 74.31 C ATOM 1156 CG LYS A 70 12.088 -5.812 10.488 1.00 24.14 C ATOM 1157 CD LYS A 70 12.644 -7.090 11.160 1.00 73.40 C ATOM 1158 CE LYS A 70 13.431 -6.798 12.449 1.00 51.24 C ATOM 1159 NZ LYS A 70 13.994 -8.038 13.050 1.00 5.21 N ATOM 0 H LYS A 70 12.285 -3.014 10.723 1.00 4.31 H new ATOM 0 HA LYS A 70 9.974 -4.206 9.673 1.00 4.22 H new ATOM 0 HB2 LYS A 70 11.542 -4.690 12.261 1.00 74.31 H new ATOM 0 HB3 LYS A 70 10.282 -5.763 11.686 1.00 74.31 H new ATOM 0 HG2 LYS A 70 11.626 -6.081 9.538 1.00 24.14 H new ATOM 0 HG3 LYS A 70 12.916 -5.140 10.261 1.00 24.14 H new ATOM 0 HD2 LYS A 70 11.817 -7.762 11.390 1.00 73.40 H new ATOM 0 HD3 LYS A 70 13.292 -7.612 10.456 1.00 73.40 H new ATOM 0 HE2 LYS A 70 14.240 -6.101 12.230 1.00 51.24 H new ATOM 0 HE3 LYS A 70 12.776 -6.310 13.171 1.00 51.24 H new ATOM 0 HZ1 LYS A 70 14.517 -7.798 13.916 1.00 5.21 H new ATOM 0 HZ2 LYS A 70 13.221 -8.693 13.283 1.00 5.21 H new ATOM 0 HZ3 LYS A 70 14.639 -8.491 12.371 1.00 5.21 H new ATOM 1173 N LYS A 71 9.304 -2.344 12.264 1.00 32.32 N ATOM 1174 CA LYS A 71 8.197 -1.808 13.100 1.00 75.53 C ATOM 1175 C LYS A 71 7.151 -0.982 12.287 1.00 25.15 C ATOM 1176 O LYS A 71 6.124 -0.573 12.838 1.00 10.11 O ATOM 1177 CB LYS A 71 8.758 -0.975 14.287 1.00 75.53 C ATOM 1178 CG LYS A 71 9.546 0.303 13.896 1.00 64.42 C ATOM 1179 CD LYS A 71 9.834 1.221 15.116 1.00 33.32 C ATOM 1180 CE LYS A 71 10.463 2.568 14.717 1.00 23.32 C ATOM 1181 NZ LYS A 71 10.462 3.545 15.836 1.00 73.20 N ATOM 0 H LYS A 71 10.194 -1.864 12.398 1.00 32.32 H new ATOM 0 HA LYS A 71 7.663 -2.673 13.492 1.00 75.53 H new ATOM 0 HB2 LYS A 71 7.926 -0.685 14.929 1.00 75.53 H new ATOM 0 HB3 LYS A 71 9.411 -1.615 14.880 1.00 75.53 H new ATOM 0 HG2 LYS A 71 10.489 0.016 13.431 1.00 64.42 H new ATOM 0 HG3 LYS A 71 8.980 0.862 13.151 1.00 64.42 H new ATOM 0 HD2 LYS A 71 8.904 1.405 15.653 1.00 33.32 H new ATOM 0 HD3 LYS A 71 10.502 0.703 15.804 1.00 33.32 H new ATOM 0 HE2 LYS A 71 11.487 2.403 14.383 1.00 23.32 H new ATOM 0 HE3 LYS A 71 9.915 2.986 13.872 1.00 23.32 H new ATOM 0 HZ1 LYS A 71 9.747 4.279 15.656 1.00 73.20 H new ATOM 0 HZ2 LYS A 71 10.237 3.054 16.725 1.00 73.20 H new ATOM 0 HZ3 LYS A 71 11.400 3.987 15.912 1.00 73.20 H new ATOM 1195 N TYR A 72 7.419 -0.730 10.984 1.00 72.13 N ATOM 1196 CA TYR A 72 6.452 -0.057 10.063 1.00 63.23 C ATOM 1197 C TYR A 72 5.757 -1.047 9.098 1.00 53.50 C ATOM 1198 O TYR A 72 4.818 -0.662 8.401 1.00 20.25 O ATOM 1199 CB TYR A 72 7.162 1.034 9.226 1.00 65.32 C ATOM 1200 CG TYR A 72 7.797 2.158 10.058 1.00 4.21 C ATOM 1201 CD1 TYR A 72 7.081 3.312 10.406 1.00 54.51 C ATOM 1202 CD2 TYR A 72 9.120 2.064 10.498 1.00 20.41 C ATOM 1203 CE1 TYR A 72 7.668 4.317 11.160 1.00 33.31 C ATOM 1204 CE2 TYR A 72 9.703 3.064 11.246 1.00 31.04 C ATOM 1205 CZ TYR A 72 8.978 4.184 11.575 1.00 52.30 C ATOM 1206 OH TYR A 72 9.566 5.173 12.330 1.00 2.03 O ATOM 0 H TYR A 72 8.301 -0.982 10.538 1.00 72.13 H new ATOM 0 HA TYR A 72 5.689 0.390 10.701 1.00 63.23 H new ATOM 0 HB2 TYR A 72 7.937 0.564 8.621 1.00 65.32 H new ATOM 0 HB3 TYR A 72 6.441 1.472 8.536 1.00 65.32 H new ATOM 0 HD1 TYR A 72 6.056 3.420 10.082 1.00 54.51 H new ATOM 0 HD2 TYR A 72 9.699 1.188 10.246 1.00 20.41 H new ATOM 0 HE1 TYR A 72 7.103 5.200 11.421 1.00 33.31 H new ATOM 0 HE2 TYR A 72 10.728 2.968 11.573 1.00 31.04 H new ATOM 0 HH TYR A 72 9.125 5.223 13.204 1.00 2.03 H new ATOM 1216 N HIS A 73 6.220 -2.311 9.054 1.00 32.43 N ATOM 1217 CA HIS A 73 5.742 -3.309 8.056 1.00 13.00 C ATOM 1218 C HIS A 73 4.239 -3.633 8.175 1.00 51.44 C ATOM 1219 O HIS A 73 3.625 -4.019 7.202 1.00 65.13 O ATOM 1220 CB HIS A 73 6.569 -4.613 8.145 1.00 33.13 C ATOM 1221 CG HIS A 73 8.011 -4.458 7.753 1.00 31.11 C ATOM 1222 ND1 HIS A 73 8.909 -5.501 7.750 1.00 3.24 N ATOM 1223 CD2 HIS A 73 8.710 -3.376 7.342 1.00 71.05 C ATOM 1224 CE1 HIS A 73 10.078 -5.072 7.356 1.00 1.05 C ATOM 1225 NE2 HIS A 73 9.984 -3.790 7.105 1.00 1.32 N ATOM 0 H HIS A 73 6.925 -2.673 9.695 1.00 32.43 H new ATOM 0 HA HIS A 73 5.886 -2.844 7.081 1.00 13.00 H new ATOM 0 HB2 HIS A 73 6.521 -4.991 9.166 1.00 33.13 H new ATOM 0 HB3 HIS A 73 6.109 -5.366 7.504 1.00 33.13 H new ATOM 0 HD1 HIS A 73 8.694 -6.462 8.015 1.00 3.24 H new ATOM 0 HD2 HIS A 73 8.329 -2.372 7.224 1.00 71.05 H new ATOM 0 HE1 HIS A 73 10.970 -5.672 7.254 1.00 1.05 H new ATOM 1234 N ASN A 74 3.658 -3.486 9.369 1.00 14.44 N ATOM 1235 CA ASN A 74 2.210 -3.722 9.601 1.00 23.42 C ATOM 1236 C ASN A 74 1.499 -2.433 10.056 1.00 34.11 C ATOM 1237 O ASN A 74 0.400 -2.479 10.620 1.00 61.33 O ATOM 1238 CB ASN A 74 2.047 -4.847 10.645 1.00 35.44 C ATOM 1239 CG ASN A 74 2.630 -6.193 10.189 1.00 65.43 C ATOM 1240 OD1 ASN A 74 2.557 -6.510 8.904 1.00 15.52 O flip ATOM 1241 ND2 ASN A 74 3.129 -6.956 10.997 1.00 14.32 N flip ATOM 0 H ASN A 74 4.166 -3.201 10.206 1.00 14.44 H new ATOM 0 HA ASN A 74 1.742 -4.028 8.665 1.00 23.42 H new ATOM 0 HB2 ASN A 74 2.533 -4.545 11.573 1.00 35.44 H new ATOM 0 HB3 ASN A 74 0.988 -4.975 10.867 1.00 35.44 H new ATOM 0 HD21 ASN A 74 3.177 -6.696 11.982 1.00 14.32 H new ATOM 0 HD22 ASN A 74 3.499 -7.855 10.688 1.00 14.32 H new ATOM 1248 N ASP A 75 2.132 -1.284 9.773 1.00 25.51 N ATOM 1249 CA ASP A 75 1.630 0.038 10.179 1.00 3.43 C ATOM 1250 C ASP A 75 0.562 0.542 9.177 1.00 25.30 C ATOM 1251 O ASP A 75 0.867 0.700 7.990 1.00 41.40 O ATOM 1252 CB ASP A 75 2.808 1.030 10.282 1.00 32.01 C ATOM 1253 CG ASP A 75 2.374 2.420 10.736 1.00 63.33 C ATOM 1254 OD1 ASP A 75 2.098 2.603 11.940 1.00 14.13 O ATOM 1255 OD2 ASP A 75 2.286 3.330 9.894 1.00 1.05 O ATOM 0 H ASP A 75 3.009 -1.246 9.254 1.00 25.51 H new ATOM 0 HA ASP A 75 1.156 -0.041 11.157 1.00 3.43 H new ATOM 0 HB2 ASP A 75 3.546 0.638 10.982 1.00 32.01 H new ATOM 0 HB3 ASP A 75 3.298 1.107 9.311 1.00 32.01 H new ATOM 1260 N PRO A 76 -0.696 0.850 9.646 1.00 52.22 N ATOM 1261 CA PRO A 76 -1.823 1.211 8.741 1.00 51.00 C ATOM 1262 C PRO A 76 -1.557 2.478 7.889 1.00 45.12 C ATOM 1263 O PRO A 76 -2.097 2.595 6.790 1.00 63.13 O ATOM 1264 CB PRO A 76 -3.015 1.418 9.717 1.00 24.55 C ATOM 1265 CG PRO A 76 -2.385 1.705 11.048 1.00 74.34 C ATOM 1266 CD PRO A 76 -1.120 0.878 11.076 1.00 2.23 C ATOM 0 HA PRO A 76 -1.999 0.438 7.993 1.00 51.00 H new ATOM 0 HB2 PRO A 76 -3.649 2.244 9.395 1.00 24.55 H new ATOM 0 HB3 PRO A 76 -3.646 0.530 9.763 1.00 24.55 H new ATOM 0 HG2 PRO A 76 -2.164 2.767 11.158 1.00 74.34 H new ATOM 0 HG3 PRO A 76 -3.052 1.432 11.866 1.00 74.34 H new ATOM 0 HD2 PRO A 76 -0.359 1.329 11.712 1.00 2.23 H new ATOM 0 HD3 PRO A 76 -1.304 -0.125 11.461 1.00 2.23 H new ATOM 1274 N ARG A 77 -0.698 3.394 8.391 1.00 33.13 N ATOM 1275 CA ARG A 77 -0.360 4.660 7.691 1.00 41.44 C ATOM 1276 C ARG A 77 0.581 4.354 6.503 1.00 51.54 C ATOM 1277 O ARG A 77 0.290 4.716 5.360 1.00 2.01 O ATOM 1278 CB ARG A 77 0.310 5.715 8.640 1.00 63.35 C ATOM 1279 CG ARG A 77 -0.466 6.074 9.941 1.00 51.32 C ATOM 1280 CD ARG A 77 -0.339 5.012 11.052 1.00 64.24 C ATOM 1281 NE ARG A 77 -1.026 5.389 12.298 1.00 71.15 N ATOM 1282 CZ ARG A 77 -0.706 4.951 13.502 1.00 32.12 C ATOM 1283 NH1 ARG A 77 0.301 4.147 13.693 1.00 2.32 N ATOM 1284 NH2 ARG A 77 -1.399 5.336 14.521 1.00 25.50 N ATOM 0 H ARG A 77 -0.221 3.281 9.286 1.00 33.13 H new ATOM 0 HA ARG A 77 -1.293 5.096 7.336 1.00 41.44 H new ATOM 0 HB2 ARG A 77 1.295 5.342 8.922 1.00 63.35 H new ATOM 0 HB3 ARG A 77 0.467 6.632 8.073 1.00 63.35 H new ATOM 0 HG2 ARG A 77 -0.101 7.029 10.320 1.00 51.32 H new ATOM 0 HG3 ARG A 77 -1.520 6.210 9.699 1.00 51.32 H new ATOM 0 HD2 ARG A 77 -0.747 4.068 10.691 1.00 64.24 H new ATOM 0 HD3 ARG A 77 0.717 4.842 11.264 1.00 64.24 H new ATOM 0 HE ARG A 77 -1.809 6.038 12.226 1.00 71.15 H new ATOM 0 HH11 ARG A 77 0.866 3.840 12.901 1.00 2.32 H new ATOM 0 HH12 ARG A 77 0.525 3.825 14.635 1.00 2.32 H new ATOM 0 HH21 ARG A 77 -2.185 5.973 14.392 1.00 25.50 H new ATOM 0 HH22 ARG A 77 -1.160 5.004 15.455 1.00 25.50 H new ATOM 1298 N PHE A 78 1.691 3.647 6.808 1.00 41.31 N ATOM 1299 CA PHE A 78 2.695 3.214 5.814 1.00 75.23 C ATOM 1300 C PHE A 78 2.052 2.391 4.660 1.00 64.44 C ATOM 1301 O PHE A 78 2.292 2.666 3.476 1.00 54.20 O ATOM 1302 CB PHE A 78 3.813 2.393 6.525 1.00 12.10 C ATOM 1303 CG PHE A 78 4.886 1.835 5.587 1.00 55.50 C ATOM 1304 CD1 PHE A 78 5.601 2.681 4.738 1.00 74.03 C ATOM 1305 CD2 PHE A 78 5.171 0.466 5.541 1.00 64.53 C ATOM 1306 CE1 PHE A 78 6.555 2.177 3.883 1.00 54.15 C ATOM 1307 CE2 PHE A 78 6.128 -0.034 4.685 1.00 24.52 C ATOM 1308 CZ PHE A 78 6.820 0.818 3.856 1.00 70.14 C ATOM 0 H PHE A 78 1.916 3.359 7.760 1.00 41.31 H new ATOM 0 HA PHE A 78 3.133 4.104 5.362 1.00 75.23 H new ATOM 0 HB2 PHE A 78 4.294 3.027 7.270 1.00 12.10 H new ATOM 0 HB3 PHE A 78 3.352 1.564 7.062 1.00 12.10 H new ATOM 0 HD1 PHE A 78 5.404 3.743 4.752 1.00 74.03 H new ATOM 0 HD2 PHE A 78 4.632 -0.210 6.187 1.00 64.53 H new ATOM 0 HE1 PHE A 78 7.099 2.844 3.231 1.00 54.15 H new ATOM 0 HE2 PHE A 78 6.335 -1.094 4.665 1.00 24.52 H new ATOM 0 HZ PHE A 78 7.570 0.427 3.184 1.00 70.14 H new ATOM 1318 N ILE A 79 1.222 1.391 5.032 1.00 53.13 N ATOM 1319 CA ILE A 79 0.473 0.556 4.065 1.00 12.33 C ATOM 1320 C ILE A 79 -0.536 1.408 3.263 1.00 33.42 C ATOM 1321 O ILE A 79 -0.643 1.236 2.052 1.00 2.12 O ATOM 1322 CB ILE A 79 -0.251 -0.682 4.764 1.00 55.40 C ATOM 1323 CG1 ILE A 79 0.763 -1.843 5.062 1.00 4.42 C ATOM 1324 CG2 ILE A 79 -1.448 -1.235 3.929 1.00 51.31 C ATOM 1325 CD1 ILE A 79 1.901 -1.526 6.014 1.00 62.32 C ATOM 0 H ILE A 79 1.053 1.140 6.006 1.00 53.13 H new ATOM 0 HA ILE A 79 1.204 0.143 3.370 1.00 12.33 H new ATOM 0 HB ILE A 79 -0.650 -0.301 5.704 1.00 55.40 H new ATOM 0 HG12 ILE A 79 0.205 -2.687 5.468 1.00 4.42 H new ATOM 0 HG13 ILE A 79 1.193 -2.171 4.115 1.00 4.42 H new ATOM 0 HG21 ILE A 79 -1.901 -2.076 4.455 1.00 51.31 H new ATOM 0 HG22 ILE A 79 -2.191 -0.449 3.794 1.00 51.31 H new ATOM 0 HG23 ILE A 79 -1.089 -1.567 2.955 1.00 51.31 H new ATOM 0 HD11 ILE A 79 2.529 -2.408 6.137 1.00 62.32 H new ATOM 0 HD12 ILE A 79 2.498 -0.709 5.608 1.00 62.32 H new ATOM 0 HD13 ILE A 79 1.495 -1.233 6.982 1.00 62.32 H new ATOM 1337 N SER A 80 -1.243 2.347 3.938 1.00 11.32 N ATOM 1338 CA SER A 80 -2.215 3.265 3.274 1.00 4.15 C ATOM 1339 C SER A 80 -1.556 4.104 2.156 1.00 32.40 C ATOM 1340 O SER A 80 -2.209 4.444 1.166 1.00 52.12 O ATOM 1341 CB SER A 80 -2.878 4.208 4.303 1.00 43.01 C ATOM 1342 OG SER A 80 -3.827 5.080 3.704 1.00 22.44 O ATOM 0 H SER A 80 -1.161 2.493 4.944 1.00 11.32 H new ATOM 0 HA SER A 80 -2.977 2.632 2.819 1.00 4.15 H new ATOM 0 HB2 SER A 80 -3.370 3.613 5.073 1.00 43.01 H new ATOM 0 HB3 SER A 80 -2.108 4.799 4.800 1.00 43.01 H new ATOM 0 HG SER A 80 -4.221 5.656 4.392 1.00 22.44 H new ATOM 1348 N TYR A 81 -0.260 4.433 2.327 1.00 75.30 N ATOM 1349 CA TYR A 81 0.524 5.179 1.316 1.00 55.21 C ATOM 1350 C TYR A 81 1.037 4.280 0.172 1.00 60.21 C ATOM 1351 O TYR A 81 1.280 4.774 -0.931 1.00 75.12 O ATOM 1352 CB TYR A 81 1.680 5.954 1.983 1.00 14.14 C ATOM 1353 CG TYR A 81 1.190 7.162 2.793 1.00 4.02 C ATOM 1354 CD1 TYR A 81 0.496 8.203 2.166 1.00 35.10 C ATOM 1355 CD2 TYR A 81 1.399 7.263 4.169 1.00 33.21 C ATOM 1356 CE1 TYR A 81 0.027 9.281 2.882 1.00 43.02 C ATOM 1357 CE2 TYR A 81 0.933 8.344 4.884 1.00 0.41 C ATOM 1358 CZ TYR A 81 0.248 9.351 4.236 1.00 40.25 C ATOM 1359 OH TYR A 81 -0.228 10.431 4.947 1.00 74.22 O ATOM 0 H TYR A 81 0.272 4.192 3.163 1.00 75.30 H new ATOM 0 HA TYR A 81 -0.155 5.898 0.857 1.00 55.21 H new ATOM 0 HB2 TYR A 81 2.233 5.281 2.639 1.00 14.14 H new ATOM 0 HB3 TYR A 81 2.375 6.294 1.215 1.00 14.14 H new ATOM 0 HD1 TYR A 81 0.325 8.160 1.100 1.00 35.10 H new ATOM 0 HD2 TYR A 81 1.936 6.479 4.683 1.00 33.21 H new ATOM 0 HE1 TYR A 81 -0.514 10.070 2.380 1.00 43.02 H new ATOM 0 HE2 TYR A 81 1.103 8.403 5.949 1.00 0.41 H new ATOM 0 HH TYR A 81 0.113 10.394 5.865 1.00 74.22 H new ATOM 1369 N CYS A 82 1.220 2.972 0.437 1.00 35.45 N ATOM 1370 CA CYS A 82 1.462 1.978 -0.638 1.00 1.44 C ATOM 1371 C CYS A 82 0.169 1.762 -1.472 1.00 72.12 C ATOM 1372 O CYS A 82 0.228 1.607 -2.688 1.00 3.41 O ATOM 1373 CB CYS A 82 1.968 0.637 -0.064 1.00 64.41 C ATOM 1374 SG CYS A 82 3.487 0.776 0.911 1.00 65.31 S ATOM 0 H CYS A 82 1.206 2.577 1.377 1.00 35.45 H new ATOM 0 HA CYS A 82 2.241 2.372 -1.291 1.00 1.44 H new ATOM 0 HB2 CYS A 82 1.187 0.204 0.560 1.00 64.41 H new ATOM 0 HB3 CYS A 82 2.140 -0.057 -0.887 1.00 64.41 H new ATOM 0 HG CYS A 82 3.256 1.485 1.976 1.00 65.31 H new ATOM 1380 N LEU A 83 -0.998 1.794 -0.786 1.00 22.52 N ATOM 1381 CA LEU A 83 -2.339 1.724 -1.426 1.00 53.31 C ATOM 1382 C LEU A 83 -2.599 2.992 -2.272 1.00 2.34 C ATOM 1383 O LEU A 83 -3.150 2.927 -3.375 1.00 2.13 O ATOM 1384 CB LEU A 83 -3.448 1.587 -0.345 1.00 14.12 C ATOM 1385 CG LEU A 83 -3.339 0.362 0.612 1.00 50.22 C ATOM 1386 CD1 LEU A 83 -4.423 0.409 1.705 1.00 60.51 C ATOM 1387 CD2 LEU A 83 -3.381 -0.969 -0.165 1.00 11.11 C ATOM 0 H LEU A 83 -1.039 1.869 0.230 1.00 22.52 H new ATOM 0 HA LEU A 83 -2.362 0.849 -2.076 1.00 53.31 H new ATOM 0 HB2 LEU A 83 -3.448 2.494 0.260 1.00 14.12 H new ATOM 0 HB3 LEU A 83 -4.413 1.541 -0.850 1.00 14.12 H new ATOM 0 HG LEU A 83 -2.369 0.419 1.106 1.00 50.22 H new ATOM 0 HD11 LEU A 83 -4.321 -0.459 2.357 1.00 60.51 H new ATOM 0 HD12 LEU A 83 -4.308 1.320 2.293 1.00 60.51 H new ATOM 0 HD13 LEU A 83 -5.409 0.399 1.240 1.00 60.51 H new ATOM 0 HD21 LEU A 83 -3.303 -1.801 0.534 1.00 11.11 H new ATOM 0 HD22 LEU A 83 -4.321 -1.042 -0.712 1.00 11.11 H new ATOM 0 HD23 LEU A 83 -2.549 -1.006 -0.868 1.00 11.11 H new ATOM 1399 N LYS A 84 -2.175 4.143 -1.721 1.00 50.03 N ATOM 1400 CA LYS A 84 -2.215 5.461 -2.388 1.00 73.32 C ATOM 1401 C LYS A 84 -1.334 5.444 -3.661 1.00 53.43 C ATOM 1402 O LYS A 84 -1.748 5.914 -4.708 1.00 71.04 O ATOM 1403 CB LYS A 84 -1.757 6.557 -1.354 1.00 75.24 C ATOM 1404 CG LYS A 84 -0.894 7.724 -1.893 1.00 14.20 C ATOM 1405 CD LYS A 84 -1.689 8.805 -2.657 1.00 2.11 C ATOM 1406 CE LYS A 84 -2.475 9.732 -1.723 1.00 13.30 C ATOM 1407 NZ LYS A 84 -3.161 10.822 -2.462 1.00 74.02 N ATOM 0 H LYS A 84 -1.786 4.186 -0.779 1.00 50.03 H new ATOM 0 HA LYS A 84 -3.228 5.697 -2.714 1.00 73.32 H new ATOM 0 HB2 LYS A 84 -2.650 6.982 -0.895 1.00 75.24 H new ATOM 0 HB3 LYS A 84 -1.196 6.060 -0.562 1.00 75.24 H new ATOM 0 HG2 LYS A 84 -0.377 8.194 -1.056 1.00 14.20 H new ATOM 0 HG3 LYS A 84 -0.128 7.318 -2.554 1.00 14.20 H new ATOM 0 HD2 LYS A 84 -1.001 9.400 -3.258 1.00 2.11 H new ATOM 0 HD3 LYS A 84 -2.380 8.322 -3.348 1.00 2.11 H new ATOM 0 HE2 LYS A 84 -3.213 9.149 -1.172 1.00 13.30 H new ATOM 0 HE3 LYS A 84 -1.796 10.165 -0.988 1.00 13.30 H new ATOM 0 HZ1 LYS A 84 -2.679 11.724 -2.276 1.00 74.02 H new ATOM 0 HZ2 LYS A 84 -3.136 10.619 -3.482 1.00 74.02 H new ATOM 0 HZ3 LYS A 84 -4.150 10.887 -2.146 1.00 74.02 H new ATOM 1421 N PHE A 85 -0.121 4.888 -3.541 1.00 54.41 N ATOM 1422 CA PHE A 85 0.817 4.730 -4.669 1.00 75.33 C ATOM 1423 C PHE A 85 0.275 3.745 -5.727 1.00 5.34 C ATOM 1424 O PHE A 85 0.509 3.919 -6.921 1.00 4.21 O ATOM 1425 CB PHE A 85 2.181 4.261 -4.121 1.00 54.44 C ATOM 1426 CG PHE A 85 3.268 3.999 -5.164 1.00 13.01 C ATOM 1427 CD1 PHE A 85 3.938 5.054 -5.773 1.00 14.31 C ATOM 1428 CD2 PHE A 85 3.649 2.700 -5.502 1.00 43.41 C ATOM 1429 CE1 PHE A 85 4.952 4.818 -6.678 1.00 52.14 C ATOM 1430 CE2 PHE A 85 4.661 2.465 -6.412 1.00 11.55 C ATOM 1431 CZ PHE A 85 5.316 3.528 -7.000 1.00 52.52 C ATOM 0 H PHE A 85 0.242 4.533 -2.657 1.00 54.41 H new ATOM 0 HA PHE A 85 0.935 5.691 -5.169 1.00 75.33 H new ATOM 0 HB2 PHE A 85 2.548 5.014 -3.424 1.00 54.44 H new ATOM 0 HB3 PHE A 85 2.025 3.346 -3.550 1.00 54.44 H new ATOM 0 HD1 PHE A 85 3.661 6.070 -5.535 1.00 14.31 H new ATOM 0 HD2 PHE A 85 3.143 1.863 -5.044 1.00 43.41 H new ATOM 0 HE1 PHE A 85 5.465 5.650 -7.138 1.00 52.14 H new ATOM 0 HE2 PHE A 85 4.939 1.452 -6.663 1.00 11.55 H new ATOM 0 HZ PHE A 85 6.111 3.350 -7.710 1.00 52.52 H new ATOM 1441 N ALA A 86 -0.476 2.736 -5.259 1.00 13.11 N ATOM 1442 CA ALA A 86 -0.982 1.630 -6.089 1.00 22.15 C ATOM 1443 C ALA A 86 -1.910 2.094 -7.240 1.00 63.53 C ATOM 1444 O ALA A 86 -1.839 1.562 -8.341 1.00 4.31 O ATOM 1445 CB ALA A 86 -1.701 0.615 -5.200 1.00 32.50 C ATOM 0 H ALA A 86 -0.753 2.664 -4.280 1.00 13.11 H new ATOM 0 HA ALA A 86 -0.118 1.170 -6.568 1.00 22.15 H new ATOM 0 HB1 ALA A 86 -2.076 -0.204 -5.813 1.00 32.50 H new ATOM 0 HB2 ALA A 86 -1.005 0.224 -4.458 1.00 32.50 H new ATOM 0 HB3 ALA A 86 -2.535 1.101 -4.694 1.00 32.50 H new ATOM 1451 N GLU A 87 -2.765 3.101 -6.995 1.00 62.03 N ATOM 1452 CA GLU A 87 -3.679 3.634 -8.044 1.00 34.52 C ATOM 1453 C GLU A 87 -2.905 4.322 -9.211 1.00 40.23 C ATOM 1454 O GLU A 87 -3.453 4.526 -10.298 1.00 73.53 O ATOM 1455 CB GLU A 87 -4.710 4.608 -7.420 1.00 74.34 C ATOM 1456 CG GLU A 87 -4.088 5.847 -6.754 1.00 60.13 C ATOM 1457 CD GLU A 87 -5.115 6.810 -6.143 1.00 22.55 C ATOM 1458 OE1 GLU A 87 -5.815 6.413 -5.186 1.00 34.31 O ATOM 1459 OE2 GLU A 87 -5.225 7.970 -6.601 1.00 12.14 O ATOM 0 H GLU A 87 -2.850 3.565 -6.091 1.00 62.03 H new ATOM 0 HA GLU A 87 -4.210 2.784 -8.473 1.00 34.52 H new ATOM 0 HB2 GLU A 87 -5.400 4.936 -8.198 1.00 74.34 H new ATOM 0 HB3 GLU A 87 -5.299 4.069 -6.678 1.00 74.34 H new ATOM 0 HG2 GLU A 87 -3.402 5.521 -5.973 1.00 60.13 H new ATOM 0 HG3 GLU A 87 -3.496 6.386 -7.494 1.00 60.13 H new ATOM 1466 N TYR A 88 -1.620 4.644 -8.970 1.00 34.12 N ATOM 1467 CA TYR A 88 -0.709 5.233 -9.980 1.00 2.43 C ATOM 1468 C TYR A 88 0.067 4.127 -10.760 1.00 65.10 C ATOM 1469 O TYR A 88 0.955 4.432 -11.559 1.00 30.23 O ATOM 1470 CB TYR A 88 0.282 6.214 -9.275 1.00 13.10 C ATOM 1471 CG TYR A 88 -0.405 7.241 -8.350 1.00 23.45 C ATOM 1472 CD1 TYR A 88 -1.491 7.992 -8.798 1.00 70.44 C ATOM 1473 CD2 TYR A 88 0.006 7.438 -7.021 1.00 42.14 C ATOM 1474 CE1 TYR A 88 -2.134 8.890 -7.971 1.00 72.22 C ATOM 1475 CE2 TYR A 88 -0.641 8.333 -6.193 1.00 24.04 C ATOM 1476 CZ TYR A 88 -1.710 9.055 -6.669 1.00 61.14 C ATOM 1477 OH TYR A 88 -2.369 9.935 -5.836 1.00 52.14 O ATOM 0 H TYR A 88 -1.177 4.503 -8.062 1.00 34.12 H new ATOM 0 HA TYR A 88 -1.304 5.784 -10.708 1.00 2.43 H new ATOM 0 HB2 TYR A 88 0.997 5.635 -8.691 1.00 13.10 H new ATOM 0 HB3 TYR A 88 0.851 6.749 -10.036 1.00 13.10 H new ATOM 0 HD1 TYR A 88 -1.836 7.868 -9.814 1.00 70.44 H new ATOM 0 HD2 TYR A 88 0.846 6.877 -6.639 1.00 42.14 H new ATOM 0 HE1 TYR A 88 -2.970 9.464 -8.343 1.00 72.22 H new ATOM 0 HE2 TYR A 88 -0.309 8.466 -5.174 1.00 24.04 H new ATOM 0 HH TYR A 88 -2.858 9.433 -5.151 1.00 52.14 H new ATOM 1487 N ASN A 89 -0.277 2.839 -10.510 1.00 31.33 N ATOM 1488 CA ASN A 89 0.362 1.657 -11.155 1.00 4.22 C ATOM 1489 C ASN A 89 -0.703 0.665 -11.693 1.00 23.42 C ATOM 1490 O ASN A 89 -1.780 0.528 -11.119 1.00 54.23 O ATOM 1491 CB ASN A 89 1.283 0.915 -10.148 1.00 54.24 C ATOM 1492 CG ASN A 89 2.416 1.789 -9.620 1.00 54.31 C ATOM 1493 OD1 ASN A 89 3.508 1.818 -10.160 1.00 22.33 O ATOM 1494 ND2 ASN A 89 2.155 2.521 -8.569 1.00 74.35 N ATOM 0 H ASN A 89 -1.012 2.586 -9.850 1.00 31.33 H new ATOM 0 HA ASN A 89 0.956 2.026 -11.991 1.00 4.22 H new ATOM 0 HB2 ASN A 89 0.684 0.561 -9.309 1.00 54.24 H new ATOM 0 HB3 ASN A 89 1.706 0.035 -10.632 1.00 54.24 H new ATOM 0 HD21 ASN A 89 2.873 3.134 -8.183 1.00 74.35 H new ATOM 0 HD22 ASN A 89 1.233 2.479 -8.135 1.00 74.35 H new ATOM 1501 N SER A 90 -0.370 -0.037 -12.790 1.00 15.42 N ATOM 1502 CA SER A 90 -1.248 -1.063 -13.411 1.00 54.42 C ATOM 1503 C SER A 90 -0.944 -2.489 -12.882 1.00 4.21 C ATOM 1504 O SER A 90 -1.859 -3.284 -12.662 1.00 31.33 O ATOM 1505 CB SER A 90 -1.077 -1.025 -14.946 1.00 61.43 C ATOM 1506 OG SER A 90 0.275 -1.252 -15.328 1.00 31.21 O ATOM 0 H SER A 90 0.517 0.086 -13.278 1.00 15.42 H new ATOM 0 HA SER A 90 -2.278 -0.828 -13.142 1.00 54.42 H new ATOM 0 HB2 SER A 90 -1.717 -1.780 -15.403 1.00 61.43 H new ATOM 0 HB3 SER A 90 -1.405 -0.057 -15.325 1.00 61.43 H new ATOM 0 HG SER A 90 0.348 -1.223 -16.305 1.00 31.21 H new ATOM 1512 N ASP A 91 0.352 -2.798 -12.678 1.00 25.53 N ATOM 1513 CA ASP A 91 0.826 -4.155 -12.292 1.00 45.24 C ATOM 1514 C ASP A 91 0.766 -4.381 -10.751 1.00 23.34 C ATOM 1515 O ASP A 91 1.774 -4.682 -10.095 1.00 3.31 O ATOM 1516 CB ASP A 91 2.254 -4.372 -12.840 1.00 32.34 C ATOM 1517 CG ASP A 91 2.332 -4.186 -14.364 1.00 24.30 C ATOM 1518 OD1 ASP A 91 1.919 -5.102 -15.103 1.00 5.30 O ATOM 1519 OD2 ASP A 91 2.796 -3.122 -14.827 1.00 3.40 O ATOM 0 H ASP A 91 1.106 -2.117 -12.775 1.00 25.53 H new ATOM 0 HA ASP A 91 0.157 -4.893 -12.734 1.00 45.24 H new ATOM 0 HB2 ASP A 91 2.936 -3.673 -12.356 1.00 32.34 H new ATOM 0 HB3 ASP A 91 2.591 -5.376 -12.582 1.00 32.34 H new ATOM 1524 N LEU A 92 -0.452 -4.255 -10.198 1.00 41.40 N ATOM 1525 CA LEU A 92 -0.706 -4.368 -8.746 1.00 10.14 C ATOM 1526 C LEU A 92 -0.575 -5.807 -8.208 1.00 74.32 C ATOM 1527 O LEU A 92 -0.255 -5.996 -7.034 1.00 42.00 O ATOM 1528 CB LEU A 92 -2.090 -3.774 -8.407 1.00 71.21 C ATOM 1529 CG LEU A 92 -2.289 -2.274 -8.787 1.00 43.40 C ATOM 1530 CD1 LEU A 92 -3.649 -1.737 -8.286 1.00 55.02 C ATOM 1531 CD2 LEU A 92 -1.115 -1.422 -8.267 1.00 22.44 C ATOM 0 H LEU A 92 -1.293 -4.071 -10.745 1.00 41.40 H new ATOM 0 HA LEU A 92 0.072 -3.794 -8.243 1.00 10.14 H new ATOM 0 HB2 LEU A 92 -2.853 -4.364 -8.915 1.00 71.21 H new ATOM 0 HB3 LEU A 92 -2.261 -3.885 -7.336 1.00 71.21 H new ATOM 0 HG LEU A 92 -2.300 -2.201 -9.874 1.00 43.40 H new ATOM 0 HD11 LEU A 92 -3.753 -0.689 -8.569 1.00 55.02 H new ATOM 0 HD12 LEU A 92 -4.456 -2.316 -8.735 1.00 55.02 H new ATOM 0 HD13 LEU A 92 -3.698 -1.827 -7.201 1.00 55.02 H new ATOM 0 HD21 LEU A 92 -1.272 -0.379 -8.542 1.00 22.44 H new ATOM 0 HD22 LEU A 92 -1.057 -1.506 -7.182 1.00 22.44 H new ATOM 0 HD23 LEU A 92 -0.184 -1.777 -8.709 1.00 22.44 H new ATOM 1543 N HIS A 93 -0.837 -6.820 -9.055 1.00 1.11 N ATOM 1544 CA HIS A 93 -0.615 -8.237 -8.684 1.00 12.42 C ATOM 1545 C HIS A 93 0.895 -8.535 -8.448 1.00 23.10 C ATOM 1546 O HIS A 93 1.234 -9.509 -7.800 1.00 41.00 O ATOM 1547 CB HIS A 93 -1.232 -9.198 -9.754 1.00 33.52 C ATOM 1548 CG HIS A 93 -0.298 -9.698 -10.835 1.00 65.15 C ATOM 1549 ND1 HIS A 93 0.142 -11.003 -10.888 1.00 11.11 N ATOM 1550 CD2 HIS A 93 0.266 -9.080 -11.904 1.00 14.30 C ATOM 1551 CE1 HIS A 93 0.928 -11.160 -11.928 1.00 55.32 C ATOM 1552 NE2 HIS A 93 1.019 -10.012 -12.561 1.00 51.45 N ATOM 0 H HIS A 93 -1.201 -6.688 -9.998 1.00 1.11 H new ATOM 0 HA HIS A 93 -1.128 -8.419 -7.740 1.00 12.42 H new ATOM 0 HB2 HIS A 93 -1.647 -10.062 -9.236 1.00 33.52 H new ATOM 0 HB3 HIS A 93 -2.064 -8.684 -10.234 1.00 33.52 H new ATOM 0 HD2 HIS A 93 0.143 -8.044 -12.183 1.00 14.30 H new ATOM 0 HE1 HIS A 93 1.418 -12.079 -12.215 1.00 55.32 H new ATOM 0 HE2 HIS A 93 1.564 -9.844 -13.407 1.00 51.45 H new ATOM 1561 N GLN A 94 1.786 -7.707 -9.030 1.00 22.42 N ATOM 1562 CA GLN A 94 3.239 -7.760 -8.755 1.00 34.22 C ATOM 1563 C GLN A 94 3.601 -6.867 -7.549 1.00 1.03 C ATOM 1564 O GLN A 94 4.420 -7.247 -6.709 1.00 63.24 O ATOM 1565 CB GLN A 94 4.045 -7.318 -10.005 1.00 31.44 C ATOM 1566 CG GLN A 94 3.894 -8.248 -11.225 1.00 73.04 C ATOM 1567 CD GLN A 94 4.766 -7.839 -12.417 1.00 64.22 C ATOM 1568 OE1 GLN A 94 5.055 -6.665 -12.630 1.00 72.33 O ATOM 1569 NE2 GLN A 94 5.169 -8.803 -13.212 1.00 41.10 N ATOM 0 H GLN A 94 1.522 -6.986 -9.701 1.00 22.42 H new ATOM 0 HA GLN A 94 3.500 -8.790 -8.514 1.00 34.22 H new ATOM 0 HB2 GLN A 94 3.730 -6.314 -10.288 1.00 31.44 H new ATOM 0 HB3 GLN A 94 5.100 -7.258 -9.739 1.00 31.44 H new ATOM 0 HG2 GLN A 94 4.150 -9.266 -10.930 1.00 73.04 H new ATOM 0 HG3 GLN A 94 2.849 -8.259 -11.536 1.00 73.04 H new ATOM 0 HE21 GLN A 94 4.914 -9.770 -13.011 1.00 41.10 H new ATOM 0 HE22 GLN A 94 5.737 -8.585 -14.031 1.00 41.10 H new ATOM 1578 N PHE A 95 2.977 -5.673 -7.492 1.00 74.30 N ATOM 1579 CA PHE A 95 3.231 -4.664 -6.445 1.00 13.34 C ATOM 1580 C PHE A 95 2.853 -5.170 -5.020 1.00 42.43 C ATOM 1581 O PHE A 95 3.724 -5.287 -4.152 1.00 45.41 O ATOM 1582 CB PHE A 95 2.470 -3.356 -6.795 1.00 55.51 C ATOM 1583 CG PHE A 95 2.555 -2.285 -5.717 1.00 54.12 C ATOM 1584 CD1 PHE A 95 3.784 -1.731 -5.362 1.00 65.33 C ATOM 1585 CD2 PHE A 95 1.414 -1.853 -5.037 1.00 54.14 C ATOM 1586 CE1 PHE A 95 3.866 -0.788 -4.365 1.00 21.10 C ATOM 1587 CE2 PHE A 95 1.501 -0.907 -4.046 1.00 2.11 C ATOM 1588 CZ PHE A 95 2.727 -0.374 -3.707 1.00 25.50 C ATOM 0 H PHE A 95 2.279 -5.381 -8.175 1.00 74.30 H new ATOM 0 HA PHE A 95 4.303 -4.467 -6.421 1.00 13.34 H new ATOM 0 HB2 PHE A 95 2.869 -2.953 -7.726 1.00 55.51 H new ATOM 0 HB3 PHE A 95 1.422 -3.594 -6.975 1.00 55.51 H new ATOM 0 HD1 PHE A 95 4.681 -2.046 -5.875 1.00 65.33 H new ATOM 0 HD2 PHE A 95 0.451 -2.269 -5.294 1.00 54.14 H new ATOM 0 HE1 PHE A 95 4.825 -0.370 -4.096 1.00 21.10 H new ATOM 0 HE2 PHE A 95 0.609 -0.580 -3.532 1.00 2.11 H new ATOM 0 HZ PHE A 95 2.795 0.368 -2.925 1.00 25.50 H new ATOM 1598 N PHE A 96 1.552 -5.455 -4.794 1.00 32.30 N ATOM 1599 CA PHE A 96 1.052 -5.972 -3.492 1.00 53.14 C ATOM 1600 C PHE A 96 1.677 -7.340 -3.127 1.00 25.31 C ATOM 1601 O PHE A 96 1.766 -7.694 -1.947 1.00 21.43 O ATOM 1602 CB PHE A 96 -0.486 -6.108 -3.504 1.00 40.24 C ATOM 1603 CG PHE A 96 -1.260 -4.804 -3.690 1.00 52.22 C ATOM 1604 CD1 PHE A 96 -1.089 -3.737 -2.808 1.00 60.43 C ATOM 1605 CD2 PHE A 96 -2.183 -4.653 -4.723 1.00 4.11 C ATOM 1606 CE1 PHE A 96 -1.811 -2.569 -2.959 1.00 14.55 C ATOM 1607 CE2 PHE A 96 -2.908 -3.489 -4.867 1.00 41.34 C ATOM 1608 CZ PHE A 96 -2.723 -2.449 -3.988 1.00 12.15 C ATOM 0 H PHE A 96 0.823 -5.336 -5.497 1.00 32.30 H new ATOM 0 HA PHE A 96 1.351 -5.244 -2.738 1.00 53.14 H new ATOM 0 HB2 PHE A 96 -0.766 -6.794 -4.303 1.00 40.24 H new ATOM 0 HB3 PHE A 96 -0.800 -6.566 -2.566 1.00 40.24 H new ATOM 0 HD1 PHE A 96 -0.382 -3.825 -1.996 1.00 60.43 H new ATOM 0 HD2 PHE A 96 -2.333 -5.462 -5.423 1.00 4.11 H new ATOM 0 HE1 PHE A 96 -1.662 -1.749 -2.272 1.00 14.55 H new ATOM 0 HE2 PHE A 96 -3.622 -3.395 -5.672 1.00 41.34 H new ATOM 0 HZ PHE A 96 -3.291 -1.538 -4.102 1.00 12.15 H new ATOM 1618 N GLU A 97 2.074 -8.105 -4.162 1.00 35.33 N ATOM 1619 CA GLU A 97 2.794 -9.380 -4.003 1.00 73.54 C ATOM 1620 C GLU A 97 4.179 -9.166 -3.370 1.00 4.51 C ATOM 1621 O GLU A 97 4.511 -9.832 -2.395 1.00 63.24 O ATOM 1622 CB GLU A 97 2.926 -10.082 -5.370 1.00 33.51 C ATOM 1623 CG GLU A 97 3.683 -11.419 -5.355 1.00 15.42 C ATOM 1624 CD GLU A 97 3.710 -12.106 -6.725 1.00 40.13 C ATOM 1625 OE1 GLU A 97 2.762 -12.856 -7.040 1.00 73.40 O ATOM 1626 OE2 GLU A 97 4.681 -11.908 -7.490 1.00 23.32 O ATOM 0 H GLU A 97 1.903 -7.853 -5.136 1.00 35.33 H new ATOM 0 HA GLU A 97 2.219 -10.015 -3.329 1.00 73.54 H new ATOM 0 HB2 GLU A 97 1.926 -10.255 -5.769 1.00 33.51 H new ATOM 0 HB3 GLU A 97 3.432 -9.406 -6.059 1.00 33.51 H new ATOM 0 HG2 GLU A 97 4.706 -11.247 -5.020 1.00 15.42 H new ATOM 0 HG3 GLU A 97 3.218 -12.086 -4.629 1.00 15.42 H new ATOM 1633 N PHE A 98 4.955 -8.216 -3.935 1.00 0.24 N ATOM 1634 CA PHE A 98 6.281 -7.797 -3.422 1.00 50.53 C ATOM 1635 C PHE A 98 6.190 -7.377 -1.934 1.00 34.54 C ATOM 1636 O PHE A 98 7.022 -7.781 -1.096 1.00 42.00 O ATOM 1637 CB PHE A 98 6.826 -6.637 -4.329 1.00 33.42 C ATOM 1638 CG PHE A 98 7.747 -5.618 -3.646 1.00 25.33 C ATOM 1639 CD1 PHE A 98 9.123 -5.828 -3.528 1.00 10.51 C ATOM 1640 CD2 PHE A 98 7.216 -4.435 -3.115 1.00 75.42 C ATOM 1641 CE1 PHE A 98 9.930 -4.890 -2.905 1.00 31.55 C ATOM 1642 CE2 PHE A 98 8.020 -3.509 -2.493 1.00 15.43 C ATOM 1643 CZ PHE A 98 9.373 -3.732 -2.388 1.00 23.43 C ATOM 0 H PHE A 98 4.674 -7.709 -4.775 1.00 0.24 H new ATOM 0 HA PHE A 98 6.978 -8.634 -3.465 1.00 50.53 H new ATOM 0 HB2 PHE A 98 7.367 -7.081 -5.165 1.00 33.42 H new ATOM 0 HB3 PHE A 98 5.974 -6.102 -4.749 1.00 33.42 H new ATOM 0 HD1 PHE A 98 9.562 -6.731 -3.926 1.00 10.51 H new ATOM 0 HD2 PHE A 98 6.156 -4.247 -3.196 1.00 75.42 H new ATOM 0 HE1 PHE A 98 10.993 -5.062 -2.822 1.00 31.55 H new ATOM 0 HE2 PHE A 98 7.589 -2.606 -2.087 1.00 15.43 H new ATOM 0 HZ PHE A 98 10.003 -3.002 -1.901 1.00 23.43 H new ATOM 1653 N LEU A 99 5.160 -6.561 -1.635 1.00 71.24 N ATOM 1654 CA LEU A 99 4.847 -6.125 -0.273 1.00 13.31 C ATOM 1655 C LEU A 99 4.650 -7.346 0.656 1.00 21.25 C ATOM 1656 O LEU A 99 5.359 -7.492 1.642 1.00 70.34 O ATOM 1657 CB LEU A 99 3.583 -5.216 -0.280 1.00 34.13 C ATOM 1658 CG LEU A 99 3.699 -3.879 -1.088 1.00 4.53 C ATOM 1659 CD1 LEU A 99 2.365 -3.101 -1.087 1.00 12.15 C ATOM 1660 CD2 LEU A 99 4.858 -2.993 -0.566 1.00 35.44 C ATOM 0 H LEU A 99 4.523 -6.188 -2.339 1.00 71.24 H new ATOM 0 HA LEU A 99 5.685 -5.544 0.113 1.00 13.31 H new ATOM 0 HB2 LEU A 99 2.750 -5.790 -0.685 1.00 34.13 H new ATOM 0 HB3 LEU A 99 3.330 -4.972 0.752 1.00 34.13 H new ATOM 0 HG LEU A 99 3.928 -4.147 -2.119 1.00 4.53 H new ATOM 0 HD11 LEU A 99 2.481 -2.179 -1.656 1.00 12.15 H new ATOM 0 HD12 LEU A 99 1.586 -3.713 -1.542 1.00 12.15 H new ATOM 0 HD13 LEU A 99 2.084 -2.861 -0.061 1.00 12.15 H new ATOM 0 HD21 LEU A 99 4.906 -2.075 -1.152 1.00 35.44 H new ATOM 0 HD22 LEU A 99 4.684 -2.747 0.481 1.00 35.44 H new ATOM 0 HD23 LEU A 99 5.800 -3.533 -0.660 1.00 35.44 H new ATOM 1672 N TYR A 100 3.743 -8.254 0.265 1.00 31.22 N ATOM 1673 CA TYR A 100 3.428 -9.481 1.033 1.00 72.52 C ATOM 1674 C TYR A 100 4.667 -10.415 1.193 1.00 53.44 C ATOM 1675 O TYR A 100 4.806 -11.094 2.212 1.00 72.22 O ATOM 1676 CB TYR A 100 2.255 -10.228 0.352 1.00 70.02 C ATOM 1677 CG TYR A 100 1.697 -11.419 1.154 1.00 40.40 C ATOM 1678 CD1 TYR A 100 0.869 -11.219 2.264 1.00 21.53 C ATOM 1679 CD2 TYR A 100 1.991 -12.741 0.802 1.00 15.01 C ATOM 1680 CE1 TYR A 100 0.361 -12.287 2.979 1.00 51.13 C ATOM 1681 CE2 TYR A 100 1.485 -13.805 1.517 1.00 1.15 C ATOM 1682 CZ TYR A 100 0.671 -13.573 2.602 1.00 71.30 C ATOM 1683 OH TYR A 100 0.156 -14.635 3.311 1.00 32.31 O ATOM 0 H TYR A 100 3.202 -8.163 -0.595 1.00 31.22 H new ATOM 0 HA TYR A 100 3.135 -9.183 2.040 1.00 72.52 H new ATOM 0 HB2 TYR A 100 1.447 -9.519 0.171 1.00 70.02 H new ATOM 0 HB3 TYR A 100 2.588 -10.587 -0.622 1.00 70.02 H new ATOM 0 HD1 TYR A 100 0.623 -10.212 2.567 1.00 21.53 H new ATOM 0 HD2 TYR A 100 2.628 -12.932 -0.049 1.00 15.01 H new ATOM 0 HE1 TYR A 100 -0.278 -12.112 3.832 1.00 51.13 H new ATOM 0 HE2 TYR A 100 1.726 -14.817 1.227 1.00 1.15 H new ATOM 0 HH TYR A 100 0.470 -15.475 2.916 1.00 32.31 H new ATOM 1693 N ASN A 101 5.571 -10.415 0.187 1.00 33.24 N ATOM 1694 CA ASN A 101 6.836 -11.194 0.221 1.00 1.51 C ATOM 1695 C ASN A 101 7.810 -10.646 1.293 1.00 44.35 C ATOM 1696 O ASN A 101 8.535 -11.415 1.933 1.00 32.34 O ATOM 1697 CB ASN A 101 7.529 -11.198 -1.167 1.00 21.33 C ATOM 1698 CG ASN A 101 6.727 -11.906 -2.266 1.00 20.21 C ATOM 1699 OD1 ASN A 101 5.985 -12.846 -2.012 1.00 32.32 O ATOM 1700 ND2 ASN A 101 6.875 -11.460 -3.499 1.00 53.33 N ATOM 0 H ASN A 101 5.447 -9.877 -0.671 1.00 33.24 H new ATOM 0 HA ASN A 101 6.573 -12.219 0.485 1.00 1.51 H new ATOM 0 HB2 ASN A 101 7.712 -10.168 -1.472 1.00 21.33 H new ATOM 0 HB3 ASN A 101 8.502 -11.681 -1.074 1.00 21.33 H new ATOM 0 HD21 ASN A 101 6.365 -11.900 -4.265 1.00 53.33 H new ATOM 0 HD22 ASN A 101 7.499 -10.675 -3.686 1.00 53.33 H new ATOM 1707 N HIS A 102 7.825 -9.305 1.486 1.00 31.35 N ATOM 1708 CA HIS A 102 8.599 -8.666 2.590 1.00 34.41 C ATOM 1709 C HIS A 102 7.673 -8.392 3.823 1.00 71.33 C ATOM 1710 O HIS A 102 7.995 -7.576 4.686 1.00 72.05 O ATOM 1711 CB HIS A 102 9.285 -7.357 2.079 1.00 63.32 C ATOM 1712 CG HIS A 102 10.508 -6.918 2.878 1.00 13.44 C ATOM 1713 ND1 HIS A 102 10.612 -7.037 4.251 1.00 13.31 N ATOM 1714 CD2 HIS A 102 11.684 -6.369 2.481 1.00 61.41 C ATOM 1715 CE1 HIS A 102 11.772 -6.583 4.657 1.00 5.22 C ATOM 1716 NE2 HIS A 102 12.444 -6.173 3.607 1.00 43.22 N ATOM 0 H HIS A 102 7.315 -8.645 0.899 1.00 31.35 H new ATOM 0 HA HIS A 102 9.384 -9.348 2.917 1.00 34.41 H new ATOM 0 HB2 HIS A 102 9.581 -7.501 1.040 1.00 63.32 H new ATOM 0 HB3 HIS A 102 8.552 -6.551 2.093 1.00 63.32 H new ATOM 0 HD1 HIS A 102 9.890 -7.422 4.860 1.00 13.31 H new ATOM 0 HD2 HIS A 102 11.969 -6.131 1.467 1.00 61.41 H new ATOM 0 HE1 HIS A 102 12.116 -6.552 5.680 1.00 5.22 H new ATOM 0 HE2 HIS A 102 13.382 -5.772 3.625 1.00 43.22 H new ATOM 1725 N GLY A 103 6.520 -9.089 3.885 1.00 75.30 N ATOM 1726 CA GLY A 103 5.582 -9.007 5.020 1.00 53.52 C ATOM 1727 C GLY A 103 4.911 -7.641 5.241 1.00 5.51 C ATOM 1728 O GLY A 103 4.282 -7.419 6.288 1.00 72.15 O ATOM 0 H GLY A 103 6.214 -9.725 3.148 1.00 75.30 H new ATOM 0 HA2 GLY A 103 4.802 -9.754 4.876 1.00 53.52 H new ATOM 0 HA3 GLY A 103 6.118 -9.278 5.929 1.00 53.52 H new ATOM 1732 N ILE A 104 5.054 -6.730 4.268 1.00 13.11 N ATOM 1733 CA ILE A 104 4.407 -5.412 4.298 1.00 55.32 C ATOM 1734 C ILE A 104 2.869 -5.593 4.126 1.00 22.22 C ATOM 1735 O ILE A 104 2.404 -6.001 3.059 1.00 54.14 O ATOM 1736 CB ILE A 104 4.950 -4.448 3.162 1.00 70.03 C ATOM 1737 CG1 ILE A 104 6.514 -4.517 2.993 1.00 40.22 C ATOM 1738 CG2 ILE A 104 4.479 -2.989 3.394 1.00 13.22 C ATOM 1739 CD1 ILE A 104 7.332 -4.165 4.218 1.00 43.21 C ATOM 0 H ILE A 104 5.623 -6.888 3.436 1.00 13.11 H new ATOM 0 HA ILE A 104 4.638 -4.952 5.259 1.00 55.32 H new ATOM 0 HB ILE A 104 4.522 -4.805 2.225 1.00 70.03 H new ATOM 0 HG12 ILE A 104 6.781 -5.526 2.680 1.00 40.22 H new ATOM 0 HG13 ILE A 104 6.802 -3.846 2.184 1.00 40.22 H new ATOM 0 HG21 ILE A 104 4.866 -2.351 2.600 1.00 13.22 H new ATOM 0 HG22 ILE A 104 3.390 -2.953 3.389 1.00 13.22 H new ATOM 0 HG23 ILE A 104 4.849 -2.636 4.356 1.00 13.22 H new ATOM 0 HD11 ILE A 104 8.393 -4.247 3.983 1.00 43.21 H new ATOM 0 HD12 ILE A 104 7.107 -3.144 4.525 1.00 43.21 H new ATOM 0 HD13 ILE A 104 7.086 -4.850 5.029 1.00 43.21 H new ATOM 1751 N GLY A 105 2.117 -5.296 5.196 1.00 33.53 N ATOM 1752 CA GLY A 105 0.657 -5.386 5.205 1.00 0.20 C ATOM 1753 C GLY A 105 0.073 -6.749 5.560 1.00 12.12 C ATOM 1754 O GLY A 105 -1.098 -6.997 5.258 1.00 44.40 O ATOM 0 H GLY A 105 2.512 -4.985 6.084 1.00 33.53 H new ATOM 0 HA2 GLY A 105 0.272 -4.652 5.913 1.00 0.20 H new ATOM 0 HA3 GLY A 105 0.289 -5.101 4.219 1.00 0.20 H new ATOM 1758 N THR A 106 0.855 -7.637 6.216 1.00 1.11 N ATOM 1759 CA THR A 106 0.330 -8.953 6.672 1.00 62.43 C ATOM 1760 C THR A 106 -0.694 -8.810 7.818 1.00 70.40 C ATOM 1761 O THR A 106 -1.555 -9.675 7.985 1.00 5.04 O ATOM 1762 CB THR A 106 1.451 -9.937 7.117 1.00 13.23 C ATOM 1763 OG1 THR A 106 2.264 -9.319 8.121 1.00 24.33 O ATOM 1764 CG2 THR A 106 2.327 -10.393 5.939 1.00 43.03 C ATOM 0 H THR A 106 1.837 -7.474 6.441 1.00 1.11 H new ATOM 0 HA THR A 106 -0.167 -9.371 5.796 1.00 62.43 H new ATOM 0 HB THR A 106 0.968 -10.825 7.524 1.00 13.23 H new ATOM 0 HG1 THR A 106 2.046 -8.365 8.177 1.00 24.33 H new ATOM 0 HG21 THR A 106 3.094 -11.078 6.300 1.00 43.03 H new ATOM 0 HG22 THR A 106 1.707 -10.900 5.199 1.00 43.03 H new ATOM 0 HG23 THR A 106 2.802 -9.525 5.481 1.00 43.03 H new ATOM 1772 N LEU A 107 -0.576 -7.729 8.621 1.00 22.21 N ATOM 1773 CA LEU A 107 -1.606 -7.358 9.626 1.00 32.42 C ATOM 1774 C LEU A 107 -2.471 -6.167 9.148 1.00 41.12 C ATOM 1775 O LEU A 107 -3.127 -5.503 9.954 1.00 4.21 O ATOM 1776 CB LEU A 107 -0.965 -7.049 11.003 1.00 30.54 C ATOM 1777 CG LEU A 107 -0.168 -8.212 11.673 1.00 72.34 C ATOM 1778 CD1 LEU A 107 0.382 -7.787 13.052 1.00 74.34 C ATOM 1779 CD2 LEU A 107 -1.034 -9.486 11.775 1.00 73.34 C ATOM 0 H LEU A 107 0.223 -7.095 8.595 1.00 22.21 H new ATOM 0 HA LEU A 107 -2.263 -8.220 9.742 1.00 32.42 H new ATOM 0 HB2 LEU A 107 -0.294 -6.198 10.884 1.00 30.54 H new ATOM 0 HB3 LEU A 107 -1.756 -6.738 11.686 1.00 30.54 H new ATOM 0 HG LEU A 107 0.688 -8.445 11.039 1.00 72.34 H new ATOM 0 HD11 LEU A 107 0.933 -8.617 13.496 1.00 74.34 H new ATOM 0 HD12 LEU A 107 1.048 -6.933 12.931 1.00 74.34 H new ATOM 0 HD13 LEU A 107 -0.446 -7.511 13.705 1.00 74.34 H new ATOM 0 HD21 LEU A 107 -0.456 -10.282 12.245 1.00 73.34 H new ATOM 0 HD22 LEU A 107 -1.919 -9.277 12.375 1.00 73.34 H new ATOM 0 HD23 LEU A 107 -1.338 -9.800 10.777 1.00 73.34 H new ATOM 1791 N SER A 108 -2.505 -5.933 7.826 1.00 64.30 N ATOM 1792 CA SER A 108 -3.322 -4.859 7.228 1.00 24.02 C ATOM 1793 C SER A 108 -4.339 -5.438 6.225 1.00 62.13 C ATOM 1794 O SER A 108 -3.975 -5.790 5.102 1.00 65.51 O ATOM 1795 CB SER A 108 -2.414 -3.819 6.539 1.00 61.14 C ATOM 1796 OG SER A 108 -1.503 -3.241 7.460 1.00 35.02 O ATOM 0 H SER A 108 -1.973 -6.476 7.146 1.00 64.30 H new ATOM 0 HA SER A 108 -3.877 -4.365 8.025 1.00 24.02 H new ATOM 0 HB2 SER A 108 -1.862 -4.295 5.728 1.00 61.14 H new ATOM 0 HB3 SER A 108 -3.027 -3.037 6.091 1.00 61.14 H new ATOM 0 HG SER A 108 -1.293 -2.325 7.182 1.00 35.02 H new ATOM 1802 N SER A 109 -5.610 -5.539 6.661 1.00 74.13 N ATOM 1803 CA SER A 109 -6.765 -5.927 5.797 1.00 2.53 C ATOM 1804 C SER A 109 -6.881 -5.096 4.486 1.00 74.02 C ATOM 1805 O SER A 109 -6.964 -5.708 3.412 1.00 54.23 O ATOM 1806 CB SER A 109 -8.087 -5.839 6.598 1.00 40.24 C ATOM 1807 OG SER A 109 -9.237 -6.045 5.789 1.00 72.33 O ATOM 0 H SER A 109 -5.876 -5.354 7.628 1.00 74.13 H new ATOM 0 HA SER A 109 -6.577 -6.956 5.490 1.00 2.53 H new ATOM 0 HB2 SER A 109 -8.073 -6.581 7.396 1.00 40.24 H new ATOM 0 HB3 SER A 109 -8.154 -4.860 7.074 1.00 40.24 H new ATOM 0 HG SER A 109 -10.027 -6.140 6.361 1.00 72.33 H new ATOM 1813 N PRO A 110 -6.850 -3.701 4.513 1.00 5.14 N ATOM 1814 CA PRO A 110 -7.002 -2.873 3.272 1.00 13.41 C ATOM 1815 C PRO A 110 -5.956 -3.184 2.155 1.00 22.40 C ATOM 1816 O PRO A 110 -6.170 -2.821 0.991 1.00 10.53 O ATOM 1817 CB PRO A 110 -6.875 -1.410 3.790 1.00 72.55 C ATOM 1818 CG PRO A 110 -6.189 -1.523 5.120 1.00 15.50 C ATOM 1819 CD PRO A 110 -6.679 -2.818 5.714 1.00 34.41 C ATOM 0 HA PRO A 110 -7.950 -3.082 2.777 1.00 13.41 H new ATOM 0 HB2 PRO A 110 -6.297 -0.796 3.099 1.00 72.55 H new ATOM 0 HB3 PRO A 110 -7.854 -0.941 3.890 1.00 72.55 H new ATOM 0 HG2 PRO A 110 -5.105 -1.529 5.004 1.00 15.50 H new ATOM 0 HG3 PRO A 110 -6.436 -0.678 5.762 1.00 15.50 H new ATOM 0 HD2 PRO A 110 -5.961 -3.234 6.421 1.00 34.41 H new ATOM 0 HD3 PRO A 110 -7.617 -2.685 6.253 1.00 34.41 H new ATOM 1827 N LEU A 111 -4.833 -3.856 2.517 1.00 30.52 N ATOM 1828 CA LEU A 111 -3.857 -4.379 1.531 1.00 62.52 C ATOM 1829 C LEU A 111 -4.498 -5.498 0.674 1.00 51.15 C ATOM 1830 O LEU A 111 -4.524 -5.417 -0.559 1.00 71.13 O ATOM 1831 CB LEU A 111 -2.593 -4.955 2.225 1.00 51.14 C ATOM 1832 CG LEU A 111 -1.448 -5.401 1.243 1.00 52.12 C ATOM 1833 CD1 LEU A 111 -0.617 -4.194 0.764 1.00 21.41 C ATOM 1834 CD2 LEU A 111 -0.558 -6.513 1.837 1.00 44.55 C ATOM 0 H LEU A 111 -4.582 -4.048 3.487 1.00 30.52 H new ATOM 0 HA LEU A 111 -3.565 -3.540 0.899 1.00 62.52 H new ATOM 0 HB2 LEU A 111 -2.195 -4.203 2.907 1.00 51.14 H new ATOM 0 HB3 LEU A 111 -2.887 -5.812 2.831 1.00 51.14 H new ATOM 0 HG LEU A 111 -1.934 -5.834 0.368 1.00 52.12 H new ATOM 0 HD11 LEU A 111 0.166 -4.537 0.087 1.00 21.41 H new ATOM 0 HD12 LEU A 111 -1.265 -3.490 0.242 1.00 21.41 H new ATOM 0 HD13 LEU A 111 -0.163 -3.701 1.623 1.00 21.41 H new ATOM 0 HD21 LEU A 111 0.215 -6.783 1.118 1.00 44.55 H new ATOM 0 HD22 LEU A 111 -0.091 -6.154 2.754 1.00 44.55 H new ATOM 0 HD23 LEU A 111 -1.169 -7.388 2.059 1.00 44.55 H new ATOM 1846 N TYR A 112 -5.018 -6.534 1.365 1.00 40.21 N ATOM 1847 CA TYR A 112 -5.640 -7.718 0.731 1.00 72.32 C ATOM 1848 C TYR A 112 -6.919 -7.348 -0.042 1.00 3.30 C ATOM 1849 O TYR A 112 -7.195 -7.919 -1.089 1.00 63.21 O ATOM 1850 CB TYR A 112 -5.989 -8.783 1.797 1.00 54.00 C ATOM 1851 CG TYR A 112 -4.793 -9.282 2.615 1.00 63.51 C ATOM 1852 CD1 TYR A 112 -4.038 -10.379 2.199 1.00 61.41 C ATOM 1853 CD2 TYR A 112 -4.431 -8.667 3.818 1.00 12.44 C ATOM 1854 CE1 TYR A 112 -2.980 -10.846 2.949 1.00 35.11 C ATOM 1855 CE2 TYR A 112 -3.368 -9.126 4.563 1.00 12.04 C ATOM 1856 CZ TYR A 112 -2.649 -10.216 4.131 1.00 72.20 C ATOM 1857 OH TYR A 112 -1.612 -10.696 4.892 1.00 24.22 O ATOM 0 H TYR A 112 -5.019 -6.574 2.384 1.00 40.21 H new ATOM 0 HA TYR A 112 -4.912 -8.121 0.027 1.00 72.32 H new ATOM 0 HB2 TYR A 112 -6.730 -8.366 2.479 1.00 54.00 H new ATOM 0 HB3 TYR A 112 -6.455 -9.635 1.302 1.00 54.00 H new ATOM 0 HD1 TYR A 112 -4.287 -10.872 1.271 1.00 61.41 H new ATOM 0 HD2 TYR A 112 -4.996 -7.816 4.169 1.00 12.44 H new ATOM 0 HE1 TYR A 112 -2.413 -11.701 2.613 1.00 35.11 H new ATOM 0 HE2 TYR A 112 -3.099 -8.631 5.485 1.00 12.04 H new ATOM 0 HH TYR A 112 -1.859 -10.662 5.840 1.00 24.22 H new ATOM 1867 N ILE A 113 -7.704 -6.408 0.518 1.00 62.52 N ATOM 1868 CA ILE A 113 -8.943 -5.897 -0.118 1.00 55.12 C ATOM 1869 C ILE A 113 -8.627 -5.182 -1.462 1.00 41.54 C ATOM 1870 O ILE A 113 -9.353 -5.345 -2.450 1.00 35.53 O ATOM 1871 CB ILE A 113 -9.717 -4.915 0.850 1.00 71.11 C ATOM 1872 CG1 ILE A 113 -9.978 -5.582 2.243 1.00 14.40 C ATOM 1873 CG2 ILE A 113 -11.050 -4.416 0.226 1.00 53.12 C ATOM 1874 CD1 ILE A 113 -10.826 -6.845 2.221 1.00 51.43 C ATOM 0 H ILE A 113 -7.502 -5.980 1.421 1.00 62.52 H new ATOM 0 HA ILE A 113 -9.583 -6.755 -0.324 1.00 55.12 H new ATOM 0 HB ILE A 113 -9.076 -4.046 0.999 1.00 71.11 H new ATOM 0 HG12 ILE A 113 -9.016 -5.820 2.697 1.00 14.40 H new ATOM 0 HG13 ILE A 113 -10.464 -4.851 2.890 1.00 14.40 H new ATOM 0 HG21 ILE A 113 -11.549 -3.744 0.924 1.00 53.12 H new ATOM 0 HG22 ILE A 113 -10.841 -3.885 -0.702 1.00 53.12 H new ATOM 0 HG23 ILE A 113 -11.696 -5.269 0.018 1.00 53.12 H new ATOM 0 HD11 ILE A 113 -10.943 -7.222 3.237 1.00 51.43 H new ATOM 0 HD12 ILE A 113 -11.807 -6.618 1.803 1.00 51.43 H new ATOM 0 HD13 ILE A 113 -10.336 -7.601 1.607 1.00 51.43 H new ATOM 1886 N ALA A 114 -7.529 -4.398 -1.481 1.00 71.33 N ATOM 1887 CA ALA A 114 -7.057 -3.692 -2.696 1.00 2.11 C ATOM 1888 C ALA A 114 -6.465 -4.671 -3.742 1.00 21.43 C ATOM 1889 O ALA A 114 -6.696 -4.523 -4.946 1.00 54.45 O ATOM 1890 CB ALA A 114 -6.024 -2.624 -2.312 1.00 34.22 C ATOM 0 H ALA A 114 -6.946 -4.235 -0.660 1.00 71.33 H new ATOM 0 HA ALA A 114 -7.919 -3.210 -3.158 1.00 2.11 H new ATOM 0 HB1 ALA A 114 -5.682 -2.109 -3.210 1.00 34.22 H new ATOM 0 HB2 ALA A 114 -6.480 -1.904 -1.633 1.00 34.22 H new ATOM 0 HB3 ALA A 114 -5.175 -3.099 -1.820 1.00 34.22 H new ATOM 1896 N TRP A 115 -5.709 -5.668 -3.257 1.00 63.43 N ATOM 1897 CA TRP A 115 -5.076 -6.705 -4.103 1.00 42.41 C ATOM 1898 C TRP A 115 -6.160 -7.577 -4.795 1.00 24.31 C ATOM 1899 O TRP A 115 -6.183 -7.701 -6.024 1.00 61.22 O ATOM 1900 CB TRP A 115 -4.123 -7.560 -3.215 1.00 34.42 C ATOM 1901 CG TRP A 115 -3.184 -8.519 -3.936 1.00 41.44 C ATOM 1902 CD1 TRP A 115 -3.057 -8.739 -5.284 1.00 31.11 C ATOM 1903 CD2 TRP A 115 -2.212 -9.373 -3.308 1.00 31.12 C ATOM 1904 NE1 TRP A 115 -2.108 -9.695 -5.518 1.00 51.34 N ATOM 1905 CE2 TRP A 115 -1.569 -10.094 -4.325 1.00 11.12 C ATOM 1906 CE3 TRP A 115 -1.830 -9.600 -1.976 1.00 2.43 C ATOM 1907 CZ2 TRP A 115 -0.575 -11.034 -4.059 1.00 4.00 C ATOM 1908 CZ3 TRP A 115 -0.843 -10.530 -1.714 1.00 23.43 C ATOM 1909 CH2 TRP A 115 -0.224 -11.237 -2.751 1.00 13.13 C ATOM 0 H TRP A 115 -5.515 -5.783 -2.262 1.00 63.43 H new ATOM 0 HA TRP A 115 -4.491 -6.239 -4.896 1.00 42.41 H new ATOM 0 HB2 TRP A 115 -3.518 -6.880 -2.615 1.00 34.42 H new ATOM 0 HB3 TRP A 115 -4.734 -8.140 -2.523 1.00 34.42 H new ATOM 0 HD1 TRP A 115 -3.624 -8.231 -6.050 1.00 31.11 H new ATOM 0 HE1 TRP A 115 -1.844 -10.054 -6.436 1.00 51.34 H new ATOM 0 HE3 TRP A 115 -2.300 -9.056 -1.170 1.00 2.43 H new ATOM 0 HZ2 TRP A 115 -0.098 -11.583 -4.857 1.00 4.00 H new ATOM 0 HZ3 TRP A 115 -0.544 -10.714 -0.693 1.00 23.43 H new ATOM 0 HH2 TRP A 115 0.546 -11.957 -2.515 1.00 13.13 H new ATOM 1920 N ALA A 116 -7.063 -8.138 -3.979 1.00 74.44 N ATOM 1921 CA ALA A 116 -8.218 -8.936 -4.436 1.00 44.13 C ATOM 1922 C ALA A 116 -9.192 -8.126 -5.324 1.00 45.41 C ATOM 1923 O ALA A 116 -9.763 -8.667 -6.275 1.00 53.02 O ATOM 1924 CB ALA A 116 -8.962 -9.502 -3.225 1.00 72.13 C ATOM 0 H ALA A 116 -7.014 -8.051 -2.964 1.00 74.44 H new ATOM 0 HA ALA A 116 -7.828 -9.747 -5.052 1.00 44.13 H new ATOM 0 HB1 ALA A 116 -9.814 -10.091 -3.564 1.00 72.13 H new ATOM 0 HB2 ALA A 116 -8.289 -10.137 -2.648 1.00 72.13 H new ATOM 0 HB3 ALA A 116 -9.314 -8.682 -2.598 1.00 72.13 H new ATOM 1930 N GLY A 117 -9.374 -6.832 -4.982 1.00 4.44 N ATOM 1931 CA GLY A 117 -10.186 -5.900 -5.785 1.00 61.21 C ATOM 1932 C GLY A 117 -9.648 -5.720 -7.208 1.00 54.33 C ATOM 1933 O GLY A 117 -10.414 -5.698 -8.178 1.00 62.22 O ATOM 0 H GLY A 117 -8.965 -6.410 -4.149 1.00 4.44 H new ATOM 0 HA2 GLY A 117 -11.211 -6.267 -5.833 1.00 61.21 H new ATOM 0 HA3 GLY A 117 -10.217 -4.931 -5.288 1.00 61.21 H new ATOM 1937 N HIS A 118 -8.312 -5.615 -7.325 1.00 64.40 N ATOM 1938 CA HIS A 118 -7.624 -5.517 -8.624 1.00 73.52 C ATOM 1939 C HIS A 118 -7.729 -6.834 -9.432 1.00 3.12 C ATOM 1940 O HIS A 118 -8.019 -6.811 -10.630 1.00 72.05 O ATOM 1941 CB HIS A 118 -6.137 -5.152 -8.408 1.00 1.32 C ATOM 1942 CG HIS A 118 -5.370 -4.978 -9.690 1.00 61.15 C ATOM 1943 ND1 HIS A 118 -5.468 -3.853 -10.471 1.00 44.25 N ATOM 1944 CD2 HIS A 118 -4.516 -5.802 -10.342 1.00 31.21 C ATOM 1945 CE1 HIS A 118 -4.720 -3.992 -11.537 1.00 73.51 C ATOM 1946 NE2 HIS A 118 -4.135 -5.158 -11.484 1.00 62.50 N ATOM 0 H HIS A 118 -7.681 -5.596 -6.524 1.00 64.40 H new ATOM 0 HA HIS A 118 -8.116 -4.733 -9.200 1.00 73.52 H new ATOM 0 HB2 HIS A 118 -6.078 -4.230 -7.830 1.00 1.32 H new ATOM 0 HB3 HIS A 118 -5.662 -5.932 -7.813 1.00 1.32 H new ATOM 0 HD2 HIS A 118 -4.197 -6.782 -10.020 1.00 31.21 H new ATOM 0 HE1 HIS A 118 -4.606 -3.264 -12.327 1.00 73.51 H new ATOM 0 HE2 HIS A 118 -3.494 -5.529 -12.185 1.00 62.50 H new ATOM 1955 N LEU A 119 -7.470 -7.973 -8.759 1.00 5.50 N ATOM 1956 CA LEU A 119 -7.463 -9.312 -9.395 1.00 23.14 C ATOM 1957 C LEU A 119 -8.853 -9.677 -9.977 1.00 11.12 C ATOM 1958 O LEU A 119 -8.955 -10.155 -11.113 1.00 31.52 O ATOM 1959 CB LEU A 119 -6.996 -10.374 -8.365 1.00 43.25 C ATOM 1960 CG LEU A 119 -5.501 -10.304 -7.922 1.00 41.24 C ATOM 1961 CD1 LEU A 119 -5.186 -11.344 -6.823 1.00 54.15 C ATOM 1962 CD2 LEU A 119 -4.557 -10.473 -9.130 1.00 43.45 C ATOM 0 H LEU A 119 -7.260 -7.994 -7.761 1.00 5.50 H new ATOM 0 HA LEU A 119 -6.764 -9.293 -10.231 1.00 23.14 H new ATOM 0 HB2 LEU A 119 -7.620 -10.284 -7.476 1.00 43.25 H new ATOM 0 HB3 LEU A 119 -7.181 -11.362 -8.786 1.00 43.25 H new ATOM 0 HG LEU A 119 -5.331 -9.315 -7.496 1.00 41.24 H new ATOM 0 HD11 LEU A 119 -4.137 -11.267 -6.539 1.00 54.15 H new ATOM 0 HD12 LEU A 119 -5.813 -11.154 -5.952 1.00 54.15 H new ATOM 0 HD13 LEU A 119 -5.386 -12.346 -7.202 1.00 54.15 H new ATOM 0 HD21 LEU A 119 -3.522 -10.420 -8.793 1.00 43.45 H new ATOM 0 HD22 LEU A 119 -4.737 -11.440 -9.600 1.00 43.45 H new ATOM 0 HD23 LEU A 119 -4.744 -9.678 -9.852 1.00 43.45 H new ATOM 1974 N GLU A 120 -9.910 -9.420 -9.189 1.00 21.13 N ATOM 1975 CA GLU A 120 -11.323 -9.565 -9.617 1.00 14.10 C ATOM 1976 C GLU A 120 -11.618 -8.782 -10.924 1.00 35.04 C ATOM 1977 O GLU A 120 -12.250 -9.313 -11.845 1.00 24.42 O ATOM 1978 CB GLU A 120 -12.253 -9.071 -8.483 1.00 4.34 C ATOM 1979 CG GLU A 120 -13.748 -8.985 -8.855 1.00 11.24 C ATOM 1980 CD GLU A 120 -14.621 -8.479 -7.704 1.00 33.00 C ATOM 1981 OE1 GLU A 120 -14.546 -7.274 -7.378 1.00 3.44 O ATOM 1982 OE2 GLU A 120 -15.363 -9.279 -7.110 1.00 10.05 O ATOM 0 H GLU A 120 -9.813 -9.102 -8.225 1.00 21.13 H new ATOM 0 HA GLU A 120 -11.508 -10.620 -9.822 1.00 14.10 H new ATOM 0 HB2 GLU A 120 -12.145 -9.739 -7.628 1.00 4.34 H new ATOM 0 HB3 GLU A 120 -11.917 -8.085 -8.162 1.00 4.34 H new ATOM 0 HG2 GLU A 120 -13.866 -8.322 -9.712 1.00 11.24 H new ATOM 0 HG3 GLU A 120 -14.098 -9.970 -9.163 1.00 11.24 H new ATOM 1989 N ALA A 121 -11.113 -7.534 -10.995 1.00 53.32 N ATOM 1990 CA ALA A 121 -11.289 -6.646 -12.168 1.00 42.32 C ATOM 1991 C ALA A 121 -10.596 -7.202 -13.439 1.00 41.15 C ATOM 1992 O ALA A 121 -10.974 -6.855 -14.566 1.00 22.21 O ATOM 1993 CB ALA A 121 -10.768 -5.238 -11.833 1.00 23.04 C ATOM 0 H ALA A 121 -10.571 -7.111 -10.242 1.00 53.32 H new ATOM 0 HA ALA A 121 -12.355 -6.596 -12.392 1.00 42.32 H new ATOM 0 HB1 ALA A 121 -10.898 -4.587 -12.697 1.00 23.04 H new ATOM 0 HB2 ALA A 121 -11.326 -4.835 -10.988 1.00 23.04 H new ATOM 0 HB3 ALA A 121 -9.710 -5.293 -11.577 1.00 23.04 H new ATOM 1999 N GLN A 122 -9.586 -8.072 -13.241 1.00 24.31 N ATOM 2000 CA GLN A 122 -8.844 -8.727 -14.344 1.00 74.41 C ATOM 2001 C GLN A 122 -9.445 -10.116 -14.713 1.00 44.42 C ATOM 2002 O GLN A 122 -9.315 -10.564 -15.856 1.00 41.44 O ATOM 2003 CB GLN A 122 -7.348 -8.869 -13.948 1.00 12.15 C ATOM 2004 CG GLN A 122 -6.671 -7.542 -13.532 1.00 62.32 C ATOM 2005 CD GLN A 122 -6.658 -6.467 -14.625 1.00 11.30 C ATOM 2006 OE1 GLN A 122 -6.606 -6.759 -15.814 1.00 62.13 O ATOM 2007 NE2 GLN A 122 -6.713 -5.212 -14.234 1.00 31.52 N ATOM 0 H GLN A 122 -9.259 -8.342 -12.313 1.00 24.31 H new ATOM 0 HA GLN A 122 -8.933 -8.098 -15.230 1.00 74.41 H new ATOM 0 HB2 GLN A 122 -7.268 -9.578 -13.124 1.00 12.15 H new ATOM 0 HB3 GLN A 122 -6.800 -9.295 -14.789 1.00 12.15 H new ATOM 0 HG2 GLN A 122 -7.184 -7.146 -12.656 1.00 62.32 H new ATOM 0 HG3 GLN A 122 -5.644 -7.751 -13.233 1.00 62.32 H new ATOM 0 HE21 GLN A 122 -6.756 -4.989 -13.240 1.00 31.52 H new ATOM 0 HE22 GLN A 122 -6.713 -4.462 -14.925 1.00 31.52 H new ATOM 2016 N GLY A 123 -10.103 -10.789 -13.743 1.00 42.32 N ATOM 2017 CA GLY A 123 -10.667 -12.151 -13.953 1.00 15.05 C ATOM 2018 C GLY A 123 -10.048 -13.202 -13.031 1.00 1.43 C ATOM 2019 O GLY A 123 -10.431 -14.375 -13.058 1.00 75.44 O ATOM 0 H GLY A 123 -10.259 -10.416 -12.807 1.00 42.32 H new ATOM 0 HA2 GLY A 123 -11.744 -12.121 -13.790 1.00 15.05 H new ATOM 0 HA3 GLY A 123 -10.510 -12.447 -14.990 1.00 15.05 H new ATOM 2023 N GLU A 124 -9.084 -12.759 -12.212 1.00 53.42 N ATOM 2024 CA GLU A 124 -8.390 -13.584 -11.203 1.00 73.25 C ATOM 2025 C GLU A 124 -9.228 -13.706 -9.894 1.00 22.31 C ATOM 2026 O GLU A 124 -8.720 -13.448 -8.808 1.00 41.32 O ATOM 2027 CB GLU A 124 -7.007 -12.937 -10.901 1.00 32.44 C ATOM 2028 CG GLU A 124 -6.014 -12.872 -12.077 1.00 40.34 C ATOM 2029 CD GLU A 124 -5.258 -14.189 -12.301 1.00 43.14 C ATOM 2030 OE1 GLU A 124 -4.430 -14.552 -11.433 1.00 42.34 O ATOM 2031 OE2 GLU A 124 -5.491 -14.876 -13.316 1.00 40.11 O ATOM 0 H GLU A 124 -8.754 -11.794 -12.230 1.00 53.42 H new ATOM 0 HA GLU A 124 -8.256 -14.592 -11.597 1.00 73.25 H new ATOM 0 HB2 GLU A 124 -7.175 -11.923 -10.539 1.00 32.44 H new ATOM 0 HB3 GLU A 124 -6.539 -13.493 -10.088 1.00 32.44 H new ATOM 0 HG2 GLU A 124 -6.554 -12.611 -12.987 1.00 40.34 H new ATOM 0 HG3 GLU A 124 -5.295 -12.074 -11.894 1.00 40.34 H new ATOM 2038 N LEU A 125 -10.507 -14.112 -10.021 1.00 62.42 N ATOM 2039 CA LEU A 125 -11.434 -14.316 -8.872 1.00 21.30 C ATOM 2040 C LEU A 125 -10.946 -15.422 -7.897 1.00 43.42 C ATOM 2041 O LEU A 125 -10.946 -15.229 -6.679 1.00 25.13 O ATOM 2042 CB LEU A 125 -12.862 -14.637 -9.413 1.00 53.53 C ATOM 2043 CG LEU A 125 -13.730 -13.395 -9.815 1.00 50.21 C ATOM 2044 CD1 LEU A 125 -14.849 -13.769 -10.808 1.00 43.31 C ATOM 2045 CD2 LEU A 125 -14.318 -12.723 -8.555 1.00 64.40 C ATOM 0 H LEU A 125 -10.935 -14.311 -10.925 1.00 62.42 H new ATOM 0 HA LEU A 125 -11.459 -13.393 -8.293 1.00 21.30 H new ATOM 0 HB2 LEU A 125 -12.764 -15.286 -10.283 1.00 53.53 H new ATOM 0 HB3 LEU A 125 -13.400 -15.203 -8.653 1.00 53.53 H new ATOM 0 HG LEU A 125 -13.076 -12.685 -10.322 1.00 50.21 H new ATOM 0 HD11 LEU A 125 -15.425 -12.879 -11.059 1.00 43.31 H new ATOM 0 HD12 LEU A 125 -14.408 -14.183 -11.715 1.00 43.31 H new ATOM 0 HD13 LEU A 125 -15.506 -14.510 -10.353 1.00 43.31 H new ATOM 0 HD21 LEU A 125 -14.919 -11.862 -8.849 1.00 64.40 H new ATOM 0 HD22 LEU A 125 -14.944 -13.437 -8.021 1.00 64.40 H new ATOM 0 HD23 LEU A 125 -13.507 -12.395 -7.905 1.00 64.40 H new ATOM 2057 N GLN A 126 -10.533 -16.573 -8.446 1.00 13.34 N ATOM 2058 CA GLN A 126 -10.022 -17.717 -7.650 1.00 31.42 C ATOM 2059 C GLN A 126 -8.667 -17.385 -6.959 1.00 70.34 C ATOM 2060 O GLN A 126 -8.334 -17.971 -5.927 1.00 30.42 O ATOM 2061 CB GLN A 126 -9.876 -18.989 -8.537 1.00 21.53 C ATOM 2062 CG GLN A 126 -11.203 -19.648 -9.013 1.00 64.54 C ATOM 2063 CD GLN A 126 -12.052 -18.789 -9.962 1.00 31.32 C ATOM 2064 OE1 GLN A 126 -11.892 -18.831 -11.176 1.00 43.25 O ATOM 2065 NE2 GLN A 126 -12.968 -18.010 -9.417 1.00 3.35 N ATOM 0 H GLN A 126 -10.540 -16.745 -9.451 1.00 13.34 H new ATOM 0 HA GLN A 126 -10.755 -17.915 -6.868 1.00 31.42 H new ATOM 0 HB2 GLN A 126 -9.288 -18.728 -9.417 1.00 21.53 H new ATOM 0 HB3 GLN A 126 -9.305 -19.732 -7.980 1.00 21.53 H new ATOM 0 HG2 GLN A 126 -10.966 -20.587 -9.512 1.00 64.54 H new ATOM 0 HG3 GLN A 126 -11.803 -19.895 -8.137 1.00 64.54 H new ATOM 0 HE21 GLN A 126 -13.084 -17.991 -8.404 1.00 3.35 H new ATOM 0 HE22 GLN A 126 -13.560 -17.427 -10.009 1.00 3.35 H new ATOM 2074 N HIS A 127 -7.887 -16.453 -7.539 1.00 21.40 N ATOM 2075 CA HIS A 127 -6.607 -16.003 -6.943 1.00 32.11 C ATOM 2076 C HIS A 127 -6.828 -14.868 -5.908 1.00 25.04 C ATOM 2077 O HIS A 127 -6.104 -14.766 -4.921 1.00 33.42 O ATOM 2078 CB HIS A 127 -5.621 -15.554 -8.048 1.00 43.53 C ATOM 2079 CG HIS A 127 -4.230 -15.277 -7.537 1.00 23.10 C ATOM 2080 ND1 HIS A 127 -3.495 -14.169 -7.886 1.00 35.42 N ATOM 2081 CD2 HIS A 127 -3.442 -15.989 -6.692 1.00 44.22 C ATOM 2082 CE1 HIS A 127 -2.329 -14.214 -7.279 1.00 62.33 C ATOM 2083 NE2 HIS A 127 -2.270 -15.302 -6.552 1.00 32.54 N ATOM 0 H HIS A 127 -8.118 -15.995 -8.420 1.00 21.40 H new ATOM 0 HA HIS A 127 -6.172 -16.850 -6.413 1.00 32.11 H new ATOM 0 HB2 HIS A 127 -5.570 -16.327 -8.815 1.00 43.53 H new ATOM 0 HB3 HIS A 127 -6.009 -14.655 -8.527 1.00 43.53 H new ATOM 0 HD2 HIS A 127 -3.695 -16.926 -6.218 1.00 44.22 H new ATOM 0 HE1 HIS A 127 -1.547 -13.474 -7.366 1.00 62.33 H new ATOM 0 HE2 HIS A 127 -1.479 -15.589 -5.976 1.00 32.54 H new ATOM 2092 N ALA A 128 -7.812 -14.011 -6.173 1.00 5.44 N ATOM 2093 CA ALA A 128 -8.214 -12.905 -5.281 1.00 41.14 C ATOM 2094 C ALA A 128 -8.813 -13.408 -3.948 1.00 73.24 C ATOM 2095 O ALA A 128 -8.557 -12.841 -2.885 1.00 64.11 O ATOM 2096 CB ALA A 128 -9.206 -12.023 -6.024 1.00 64.24 C ATOM 0 H ALA A 128 -8.368 -14.060 -7.027 1.00 5.44 H new ATOM 0 HA ALA A 128 -7.326 -12.332 -5.015 1.00 41.14 H new ATOM 0 HB1 ALA A 128 -9.514 -11.200 -5.380 1.00 64.24 H new ATOM 0 HB2 ALA A 128 -8.736 -11.624 -6.923 1.00 64.24 H new ATOM 0 HB3 ALA A 128 -10.079 -12.613 -6.303 1.00 64.24 H new ATOM 2102 N SER A 129 -9.628 -14.467 -4.033 1.00 34.24 N ATOM 2103 CA SER A 129 -10.127 -15.203 -2.851 1.00 2.52 C ATOM 2104 C SER A 129 -8.968 -15.906 -2.110 1.00 5.14 C ATOM 2105 O SER A 129 -8.947 -15.960 -0.873 1.00 2.22 O ATOM 2106 CB SER A 129 -11.187 -16.229 -3.284 1.00 35.41 C ATOM 2107 OG SER A 129 -10.686 -17.116 -4.268 1.00 3.22 O ATOM 0 H SER A 129 -9.963 -14.842 -4.920 1.00 34.24 H new ATOM 0 HA SER A 129 -10.582 -14.489 -2.164 1.00 2.52 H new ATOM 0 HB2 SER A 129 -11.518 -16.798 -2.416 1.00 35.41 H new ATOM 0 HB3 SER A 129 -12.060 -15.707 -3.675 1.00 35.41 H new ATOM 0 HG SER A 129 -10.664 -16.662 -5.136 1.00 3.22 H new ATOM 2113 N ALA A 130 -7.998 -16.424 -2.899 1.00 3.53 N ATOM 2114 CA ALA A 130 -6.732 -16.987 -2.380 1.00 23.20 C ATOM 2115 C ALA A 130 -5.846 -15.913 -1.687 1.00 22.34 C ATOM 2116 O ALA A 130 -4.936 -16.257 -0.942 1.00 41.11 O ATOM 2117 CB ALA A 130 -5.959 -17.695 -3.507 1.00 2.34 C ATOM 0 H ALA A 130 -8.073 -16.463 -3.916 1.00 3.53 H new ATOM 0 HA ALA A 130 -6.991 -17.720 -1.616 1.00 23.20 H new ATOM 0 HB1 ALA A 130 -5.030 -18.104 -3.110 1.00 2.34 H new ATOM 0 HB2 ALA A 130 -6.567 -18.503 -3.913 1.00 2.34 H new ATOM 0 HB3 ALA A 130 -5.732 -16.980 -4.297 1.00 2.34 H new ATOM 2123 N VAL A 131 -6.111 -14.621 -1.965 1.00 43.11 N ATOM 2124 CA VAL A 131 -5.478 -13.482 -1.259 1.00 23.34 C ATOM 2125 C VAL A 131 -6.237 -13.133 0.053 1.00 3.45 C ATOM 2126 O VAL A 131 -5.614 -12.940 1.104 1.00 40.42 O ATOM 2127 CB VAL A 131 -5.388 -12.219 -2.205 1.00 63.33 C ATOM 2128 CG1 VAL A 131 -5.020 -10.928 -1.436 1.00 41.23 C ATOM 2129 CG2 VAL A 131 -4.387 -12.478 -3.363 1.00 42.00 C ATOM 0 H VAL A 131 -6.772 -14.334 -2.687 1.00 43.11 H new ATOM 0 HA VAL A 131 -4.466 -13.783 -0.986 1.00 23.34 H new ATOM 0 HB VAL A 131 -6.381 -12.061 -2.626 1.00 63.33 H new ATOM 0 HG11 VAL A 131 -4.971 -10.091 -2.132 1.00 41.23 H new ATOM 0 HG12 VAL A 131 -5.778 -10.727 -0.679 1.00 41.23 H new ATOM 0 HG13 VAL A 131 -4.051 -11.055 -0.954 1.00 41.23 H new ATOM 0 HG21 VAL A 131 -4.337 -11.598 -4.005 1.00 42.00 H new ATOM 0 HG22 VAL A 131 -3.399 -12.683 -2.951 1.00 42.00 H new ATOM 0 HG23 VAL A 131 -4.721 -13.335 -3.948 1.00 42.00 H new ATOM 2139 N LEU A 132 -7.581 -13.059 -0.017 1.00 25.32 N ATOM 2140 CA LEU A 132 -8.434 -12.697 1.149 1.00 33.01 C ATOM 2141 C LEU A 132 -8.324 -13.723 2.305 1.00 30.42 C ATOM 2142 O LEU A 132 -8.334 -13.340 3.484 1.00 4.41 O ATOM 2143 CB LEU A 132 -9.914 -12.530 0.710 1.00 14.41 C ATOM 2144 CG LEU A 132 -10.210 -11.348 -0.262 1.00 73.40 C ATOM 2145 CD1 LEU A 132 -11.690 -11.328 -0.699 1.00 3.12 C ATOM 2146 CD2 LEU A 132 -9.795 -9.991 0.357 1.00 42.45 C ATOM 0 H LEU A 132 -8.108 -13.245 -0.870 1.00 25.32 H new ATOM 0 HA LEU A 132 -8.065 -11.745 1.530 1.00 33.01 H new ATOM 0 HB2 LEU A 132 -10.237 -13.456 0.234 1.00 14.41 H new ATOM 0 HB3 LEU A 132 -10.525 -12.401 1.604 1.00 14.41 H new ATOM 0 HG LEU A 132 -9.606 -11.506 -1.155 1.00 73.40 H new ATOM 0 HD11 LEU A 132 -11.858 -10.490 -1.376 1.00 3.12 H new ATOM 0 HD12 LEU A 132 -11.931 -12.261 -1.209 1.00 3.12 H new ATOM 0 HD13 LEU A 132 -12.327 -11.219 0.179 1.00 3.12 H new ATOM 0 HD21 LEU A 132 -10.015 -9.188 -0.346 1.00 42.45 H new ATOM 0 HD22 LEU A 132 -10.351 -9.827 1.280 1.00 42.45 H new ATOM 0 HD23 LEU A 132 -8.727 -10.001 0.574 1.00 42.45 H new ATOM 2158 N GLN A 133 -8.202 -15.024 1.948 1.00 41.02 N ATOM 2159 CA GLN A 133 -8.001 -16.107 2.940 1.00 62.20 C ATOM 2160 C GLN A 133 -6.652 -15.943 3.689 1.00 3.23 C ATOM 2161 O GLN A 133 -6.574 -16.244 4.883 1.00 72.41 O ATOM 2162 CB GLN A 133 -8.078 -17.512 2.277 1.00 12.01 C ATOM 2163 CG GLN A 133 -7.021 -17.775 1.197 1.00 22.24 C ATOM 2164 CD GLN A 133 -6.994 -19.219 0.679 1.00 2.11 C ATOM 2165 OE1 GLN A 133 -7.697 -19.569 -0.260 1.00 24.12 O ATOM 2166 NE2 GLN A 133 -6.172 -20.058 1.275 1.00 14.24 N ATOM 0 H GLN A 133 -8.239 -15.348 0.982 1.00 41.02 H new ATOM 0 HA GLN A 133 -8.811 -16.028 3.665 1.00 62.20 H new ATOM 0 HB2 GLN A 133 -7.979 -18.270 3.054 1.00 12.01 H new ATOM 0 HB3 GLN A 133 -9.067 -17.635 1.835 1.00 12.01 H new ATOM 0 HG2 GLN A 133 -7.201 -17.103 0.358 1.00 22.24 H new ATOM 0 HG3 GLN A 133 -6.038 -17.527 1.599 1.00 22.24 H new ATOM 0 HE21 GLN A 133 -5.597 -19.741 2.055 1.00 14.24 H new ATOM 0 HE22 GLN A 133 -6.110 -21.025 0.956 1.00 14.24 H new ATOM 2175 N ARG A 134 -5.602 -15.438 2.975 1.00 3.31 N ATOM 2176 CA ARG A 134 -4.277 -15.151 3.577 1.00 25.44 C ATOM 2177 C ARG A 134 -4.422 -14.167 4.742 1.00 42.22 C ATOM 2178 O ARG A 134 -3.906 -14.414 5.818 1.00 11.10 O ATOM 2179 CB ARG A 134 -3.282 -14.558 2.546 1.00 33.24 C ATOM 2180 CG ARG A 134 -2.987 -15.456 1.339 1.00 71.42 C ATOM 2181 CD ARG A 134 -2.069 -14.776 0.308 1.00 63.15 C ATOM 2182 NE ARG A 134 -1.829 -15.633 -0.863 1.00 42.10 N ATOM 2183 CZ ARG A 134 -0.861 -15.476 -1.742 1.00 12.32 C ATOM 2184 NH1 ARG A 134 0.009 -14.509 -1.638 1.00 71.25 N ATOM 2185 NH2 ARG A 134 -0.761 -16.305 -2.727 1.00 2.01 N ATOM 0 H ARG A 134 -5.655 -15.223 1.979 1.00 3.31 H new ATOM 0 HA ARG A 134 -3.881 -16.102 3.932 1.00 25.44 H new ATOM 0 HB2 ARG A 134 -3.679 -13.609 2.185 1.00 33.24 H new ATOM 0 HB3 ARG A 134 -2.343 -14.338 3.054 1.00 33.24 H new ATOM 0 HG2 ARG A 134 -2.521 -16.379 1.683 1.00 71.42 H new ATOM 0 HG3 ARG A 134 -3.925 -15.733 0.858 1.00 71.42 H new ATOM 0 HD2 ARG A 134 -2.519 -13.837 -0.015 1.00 63.15 H new ATOM 0 HD3 ARG A 134 -1.117 -14.528 0.777 1.00 63.15 H new ATOM 0 HE ARG A 134 -2.467 -16.416 -1.007 1.00 42.10 H new ATOM 0 HH11 ARG A 134 -0.050 -13.851 -0.861 1.00 71.25 H new ATOM 0 HH12 ARG A 134 0.749 -14.411 -2.334 1.00 71.25 H new ATOM 0 HH21 ARG A 134 -1.428 -17.072 -2.818 1.00 2.01 H new ATOM 0 HH22 ARG A 134 -0.015 -16.193 -3.414 1.00 2.01 H new ATOM 2199 N GLY A 135 -5.152 -13.061 4.501 1.00 53.45 N ATOM 2200 CA GLY A 135 -5.415 -12.061 5.536 1.00 44.51 C ATOM 2201 C GLY A 135 -6.119 -12.619 6.775 1.00 33.14 C ATOM 2202 O GLY A 135 -5.694 -12.366 7.902 1.00 2.35 O ATOM 0 H GLY A 135 -5.567 -12.844 3.595 1.00 53.45 H new ATOM 0 HA2 GLY A 135 -4.470 -11.610 5.840 1.00 44.51 H new ATOM 0 HA3 GLY A 135 -6.026 -11.265 5.111 1.00 44.51 H new ATOM 2206 N ILE A 136 -7.193 -13.386 6.548 1.00 1.41 N ATOM 2207 CA ILE A 136 -7.986 -14.030 7.615 1.00 42.12 C ATOM 2208 C ILE A 136 -7.108 -14.918 8.536 1.00 5.23 C ATOM 2209 O ILE A 136 -7.153 -14.775 9.760 1.00 31.22 O ATOM 2210 CB ILE A 136 -9.155 -14.871 6.974 1.00 34.11 C ATOM 2211 CG1 ILE A 136 -10.165 -13.916 6.258 1.00 53.24 C ATOM 2212 CG2 ILE A 136 -9.872 -15.772 8.013 1.00 54.03 C ATOM 2213 CD1 ILE A 136 -11.172 -14.607 5.366 1.00 51.40 C ATOM 0 H ILE A 136 -7.543 -13.582 5.610 1.00 1.41 H new ATOM 0 HA ILE A 136 -8.409 -13.245 8.242 1.00 42.12 H new ATOM 0 HB ILE A 136 -8.718 -15.543 6.236 1.00 34.11 H new ATOM 0 HG12 ILE A 136 -10.703 -13.346 7.015 1.00 53.24 H new ATOM 0 HG13 ILE A 136 -9.603 -13.199 5.659 1.00 53.24 H new ATOM 0 HG21 ILE A 136 -10.669 -16.331 7.522 1.00 54.03 H new ATOM 0 HG22 ILE A 136 -9.155 -16.469 8.447 1.00 54.03 H new ATOM 0 HG23 ILE A 136 -10.297 -15.151 8.801 1.00 54.03 H new ATOM 0 HD11 ILE A 136 -11.828 -13.863 4.914 1.00 51.40 H new ATOM 0 HD12 ILE A 136 -10.649 -15.154 4.582 1.00 51.40 H new ATOM 0 HD13 ILE A 136 -11.766 -15.303 5.959 1.00 51.40 H new ATOM 2225 N GLN A 137 -6.283 -15.796 7.932 1.00 50.32 N ATOM 2226 CA GLN A 137 -5.392 -16.713 8.694 1.00 2.20 C ATOM 2227 C GLN A 137 -4.151 -15.986 9.284 1.00 55.24 C ATOM 2228 O GLN A 137 -3.595 -16.437 10.287 1.00 1.35 O ATOM 2229 CB GLN A 137 -4.967 -17.922 7.820 1.00 63.41 C ATOM 2230 CG GLN A 137 -4.165 -17.554 6.562 1.00 15.20 C ATOM 2231 CD GLN A 137 -3.925 -18.739 5.631 1.00 43.21 C ATOM 2232 OE1 GLN A 137 -2.939 -19.450 5.757 1.00 21.04 O ATOM 2233 NE2 GLN A 137 -4.825 -18.967 4.695 1.00 22.53 N ATOM 0 H GLN A 137 -6.210 -15.894 6.919 1.00 50.32 H new ATOM 0 HA GLN A 137 -5.969 -17.084 9.541 1.00 2.20 H new ATOM 0 HB2 GLN A 137 -4.370 -18.601 8.429 1.00 63.41 H new ATOM 0 HB3 GLN A 137 -5.861 -18.467 7.518 1.00 63.41 H new ATOM 0 HG2 GLN A 137 -4.696 -16.774 6.016 1.00 15.20 H new ATOM 0 HG3 GLN A 137 -3.204 -17.136 6.862 1.00 15.20 H new ATOM 0 HE21 GLN A 137 -5.639 -18.358 4.611 1.00 22.53 H new ATOM 0 HE22 GLN A 137 -4.707 -19.752 4.055 1.00 22.53 H new ATOM 2242 N ASN A 138 -3.723 -14.860 8.666 1.00 15.35 N ATOM 2243 CA ASN A 138 -2.638 -13.996 9.210 1.00 43.15 C ATOM 2244 C ASN A 138 -3.163 -13.057 10.327 1.00 34.50 C ATOM 2245 O ASN A 138 -2.365 -12.373 10.970 1.00 33.23 O ATOM 2246 CB ASN A 138 -1.974 -13.152 8.082 1.00 62.13 C ATOM 2247 CG ASN A 138 -1.175 -13.991 7.079 1.00 11.13 C ATOM 2248 OD1 ASN A 138 -0.631 -15.036 7.412 1.00 24.13 O ATOM 2249 ND2 ASN A 138 -1.096 -13.543 5.840 1.00 53.21 N ATOM 0 H ASN A 138 -4.113 -14.524 7.785 1.00 15.35 H new ATOM 0 HA ASN A 138 -1.889 -14.660 9.642 1.00 43.15 H new ATOM 0 HB2 ASN A 138 -2.748 -12.602 7.548 1.00 62.13 H new ATOM 0 HB3 ASN A 138 -1.312 -12.413 8.534 1.00 62.13 H new ATOM 0 HD21 ASN A 138 -0.574 -14.070 5.139 1.00 53.21 H new ATOM 0 HD22 ASN A 138 -1.557 -12.670 5.583 1.00 53.21 H new ATOM 2256 N GLN A 139 -4.510 -13.036 10.535 1.00 62.52 N ATOM 2257 CA GLN A 139 -5.190 -12.209 11.575 1.00 23.03 C ATOM 2258 C GLN A 139 -5.041 -10.689 11.257 1.00 33.33 C ATOM 2259 O GLN A 139 -4.895 -9.851 12.160 1.00 5.23 O ATOM 2260 CB GLN A 139 -4.660 -12.553 13.009 1.00 61.30 C ATOM 2261 CG GLN A 139 -4.648 -14.057 13.377 1.00 53.14 C ATOM 2262 CD GLN A 139 -6.034 -14.701 13.451 1.00 51.03 C ATOM 2263 OE1 GLN A 139 -6.671 -14.699 14.491 1.00 61.30 O ATOM 2264 NE2 GLN A 139 -6.505 -15.264 12.359 1.00 34.43 N ATOM 0 H GLN A 139 -5.159 -13.596 9.982 1.00 62.52 H new ATOM 0 HA GLN A 139 -6.253 -12.449 11.558 1.00 23.03 H new ATOM 0 HB2 GLN A 139 -3.645 -12.166 13.104 1.00 61.30 H new ATOM 0 HB3 GLN A 139 -5.272 -12.024 13.739 1.00 61.30 H new ATOM 0 HG2 GLN A 139 -4.050 -14.594 12.641 1.00 53.14 H new ATOM 0 HG3 GLN A 139 -4.152 -14.179 14.340 1.00 53.14 H new ATOM 0 HE21 GLN A 139 -5.954 -15.253 11.501 1.00 34.43 H new ATOM 0 HE22 GLN A 139 -7.422 -15.711 12.371 1.00 34.43 H new ATOM 2273 N ALA A 140 -5.122 -10.361 9.954 1.00 13.24 N ATOM 2274 CA ALA A 140 -4.870 -9.004 9.424 1.00 11.13 C ATOM 2275 C ALA A 140 -5.997 -8.013 9.766 1.00 44.02 C ATOM 2276 O ALA A 140 -7.130 -8.175 9.330 1.00 63.31 O ATOM 2277 CB ALA A 140 -4.643 -9.063 7.911 1.00 42.24 C ATOM 0 H ALA A 140 -5.367 -11.037 9.230 1.00 13.24 H new ATOM 0 HA ALA A 140 -3.969 -8.631 9.911 1.00 11.13 H new ATOM 0 HB1 ALA A 140 -4.458 -8.058 7.531 1.00 42.24 H new ATOM 0 HB2 ALA A 140 -3.782 -9.696 7.697 1.00 42.24 H new ATOM 0 HB3 ALA A 140 -5.527 -9.477 7.426 1.00 42.24 H new ATOM 2283 N GLU A 141 -5.636 -6.968 10.519 1.00 61.23 N ATOM 2284 CA GLU A 141 -6.582 -5.995 11.098 1.00 72.23 C ATOM 2285 C GLU A 141 -7.076 -4.954 10.047 1.00 34.50 C ATOM 2286 O GLU A 141 -6.250 -4.378 9.333 1.00 14.33 O ATOM 2287 CB GLU A 141 -5.891 -5.257 12.269 1.00 74.05 C ATOM 2288 CG GLU A 141 -5.287 -6.186 13.340 1.00 54.44 C ATOM 2289 CD GLU A 141 -4.646 -5.404 14.496 1.00 13.32 C ATOM 2290 OE1 GLU A 141 -3.460 -5.017 14.382 1.00 52.14 O ATOM 2291 OE2 GLU A 141 -5.332 -5.148 15.513 1.00 64.42 O ATOM 0 H GLU A 141 -4.663 -6.767 10.750 1.00 61.23 H new ATOM 0 HA GLU A 141 -7.456 -6.545 11.449 1.00 72.23 H new ATOM 0 HB2 GLU A 141 -5.100 -4.624 11.867 1.00 74.05 H new ATOM 0 HB3 GLU A 141 -6.616 -4.597 12.745 1.00 74.05 H new ATOM 0 HG2 GLU A 141 -6.067 -6.838 13.734 1.00 54.44 H new ATOM 0 HG3 GLU A 141 -4.537 -6.829 12.879 1.00 54.44 H new ATOM 2298 N PRO A 142 -8.428 -4.677 9.933 1.00 31.21 N ATOM 2299 CA PRO A 142 -9.512 -5.428 10.647 1.00 31.03 C ATOM 2300 C PRO A 142 -9.867 -6.817 10.005 1.00 45.53 C ATOM 2301 O PRO A 142 -10.288 -6.896 8.840 1.00 62.42 O ATOM 2302 CB PRO A 142 -10.702 -4.441 10.578 1.00 61.24 C ATOM 2303 CG PRO A 142 -10.482 -3.656 9.315 1.00 51.00 C ATOM 2304 CD PRO A 142 -8.981 -3.523 9.159 1.00 53.32 C ATOM 0 HA PRO A 142 -9.216 -5.705 11.659 1.00 31.03 H new ATOM 0 HB2 PRO A 142 -11.654 -4.971 10.553 1.00 61.24 H new ATOM 0 HB3 PRO A 142 -10.724 -3.788 11.450 1.00 61.24 H new ATOM 0 HG2 PRO A 142 -10.919 -4.167 8.457 1.00 51.00 H new ATOM 0 HG3 PRO A 142 -10.956 -2.676 9.378 1.00 51.00 H new ATOM 0 HD2 PRO A 142 -8.684 -3.567 8.111 1.00 53.32 H new ATOM 0 HD3 PRO A 142 -8.623 -2.572 9.552 1.00 53.32 H new ATOM 2312 N ARG A 143 -9.696 -7.897 10.803 1.00 70.40 N ATOM 2313 CA ARG A 143 -9.923 -9.299 10.364 1.00 23.24 C ATOM 2314 C ARG A 143 -11.406 -9.562 10.008 1.00 55.31 C ATOM 2315 O ARG A 143 -11.702 -10.227 9.015 1.00 51.20 O ATOM 2316 CB ARG A 143 -9.451 -10.286 11.469 1.00 34.32 C ATOM 2317 CG ARG A 143 -9.508 -11.786 11.075 1.00 35.04 C ATOM 2318 CD ARG A 143 -9.167 -12.723 12.250 1.00 50.11 C ATOM 2319 NE ARG A 143 -10.114 -12.576 13.373 1.00 24.44 N ATOM 2320 CZ ARG A 143 -10.178 -13.354 14.438 1.00 63.33 C ATOM 2321 NH1 ARG A 143 -9.364 -14.351 14.603 1.00 33.00 N ATOM 2322 NH2 ARG A 143 -11.074 -13.124 15.343 1.00 62.22 N ATOM 0 H ARG A 143 -9.395 -7.823 11.775 1.00 70.40 H new ATOM 0 HA ARG A 143 -9.337 -9.460 9.459 1.00 23.24 H new ATOM 0 HB2 ARG A 143 -8.426 -10.037 11.744 1.00 34.32 H new ATOM 0 HB3 ARG A 143 -10.065 -10.135 12.357 1.00 34.32 H new ATOM 0 HG2 ARG A 143 -10.506 -12.022 10.705 1.00 35.04 H new ATOM 0 HG3 ARG A 143 -8.812 -11.969 10.256 1.00 35.04 H new ATOM 0 HD2 ARG A 143 -9.175 -13.756 11.903 1.00 50.11 H new ATOM 0 HD3 ARG A 143 -8.156 -12.512 12.599 1.00 50.11 H new ATOM 0 HE ARG A 143 -10.779 -11.804 13.322 1.00 24.44 H new ATOM 0 HH11 ARG A 143 -8.652 -14.550 13.900 1.00 33.00 H new ATOM 0 HH12 ARG A 143 -9.436 -14.936 15.436 1.00 33.00 H new ATOM 0 HH21 ARG A 143 -11.724 -12.346 15.231 1.00 62.22 H new ATOM 0 HH22 ARG A 143 -11.130 -13.720 16.169 1.00 62.22 H new ATOM 2336 N GLU A 144 -12.329 -9.020 10.830 1.00 70.03 N ATOM 2337 CA GLU A 144 -13.795 -9.121 10.603 1.00 64.40 C ATOM 2338 C GLU A 144 -14.198 -8.547 9.227 1.00 10.45 C ATOM 2339 O GLU A 144 -15.039 -9.123 8.526 1.00 51.34 O ATOM 2340 CB GLU A 144 -14.558 -8.377 11.731 1.00 63.34 C ATOM 2341 CG GLU A 144 -16.097 -8.409 11.607 1.00 30.05 C ATOM 2342 CD GLU A 144 -16.801 -7.595 12.701 1.00 32.22 C ATOM 2343 OE1 GLU A 144 -16.966 -6.367 12.526 1.00 45.34 O ATOM 2344 OE2 GLU A 144 -17.173 -8.170 13.748 1.00 11.32 O ATOM 0 H GLU A 144 -12.084 -8.499 11.672 1.00 70.03 H new ATOM 0 HA GLU A 144 -14.063 -10.177 10.616 1.00 64.40 H new ATOM 0 HB2 GLU A 144 -14.276 -8.814 12.689 1.00 63.34 H new ATOM 0 HB3 GLU A 144 -14.231 -7.337 11.746 1.00 63.34 H new ATOM 0 HG2 GLU A 144 -16.386 -8.021 10.630 1.00 30.05 H new ATOM 0 HG3 GLU A 144 -16.439 -9.443 11.654 1.00 30.05 H new ATOM 2351 N PHE A 145 -13.561 -7.420 8.849 1.00 22.41 N ATOM 2352 CA PHE A 145 -13.774 -6.780 7.539 1.00 22.03 C ATOM 2353 C PHE A 145 -13.327 -7.709 6.386 1.00 42.12 C ATOM 2354 O PHE A 145 -13.984 -7.777 5.353 1.00 50.52 O ATOM 2355 CB PHE A 145 -13.035 -5.427 7.482 1.00 13.13 C ATOM 2356 CG PHE A 145 -13.280 -4.618 6.210 1.00 15.32 C ATOM 2357 CD1 PHE A 145 -14.539 -4.070 5.950 1.00 13.41 C ATOM 2358 CD2 PHE A 145 -12.259 -4.388 5.282 1.00 64.52 C ATOM 2359 CE1 PHE A 145 -14.770 -3.329 4.806 1.00 32.11 C ATOM 2360 CE2 PHE A 145 -12.493 -3.647 4.140 1.00 44.32 C ATOM 2361 CZ PHE A 145 -13.746 -3.116 3.902 1.00 53.14 C ATOM 0 H PHE A 145 -12.889 -6.932 9.441 1.00 22.41 H new ATOM 0 HA PHE A 145 -14.841 -6.595 7.414 1.00 22.03 H new ATOM 0 HB2 PHE A 145 -13.336 -4.828 8.341 1.00 13.13 H new ATOM 0 HB3 PHE A 145 -11.965 -5.609 7.580 1.00 13.13 H new ATOM 0 HD1 PHE A 145 -15.343 -4.228 6.653 1.00 13.41 H new ATOM 0 HD2 PHE A 145 -11.275 -4.795 5.461 1.00 64.52 H new ATOM 0 HE1 PHE A 145 -15.750 -2.917 4.619 1.00 32.11 H new ATOM 0 HE2 PHE A 145 -11.695 -3.482 3.432 1.00 44.32 H new ATOM 0 HZ PHE A 145 -13.926 -2.535 3.010 1.00 53.14 H new ATOM 2371 N LEU A 146 -12.231 -8.456 6.609 1.00 1.33 N ATOM 2372 CA LEU A 146 -11.731 -9.465 5.648 1.00 22.24 C ATOM 2373 C LEU A 146 -12.725 -10.619 5.470 1.00 14.23 C ATOM 2374 O LEU A 146 -12.955 -11.056 4.354 1.00 22.53 O ATOM 2375 CB LEU A 146 -10.353 -10.020 6.109 1.00 22.44 C ATOM 2376 CG LEU A 146 -9.117 -9.254 5.577 1.00 72.52 C ATOM 2377 CD1 LEU A 146 -7.872 -9.589 6.393 1.00 40.43 C ATOM 2378 CD2 LEU A 146 -8.900 -9.539 4.072 1.00 44.33 C ATOM 0 H LEU A 146 -11.667 -8.381 7.455 1.00 1.33 H new ATOM 0 HA LEU A 146 -11.615 -8.968 4.685 1.00 22.24 H new ATOM 0 HB2 LEU A 146 -10.323 -10.012 7.199 1.00 22.44 H new ATOM 0 HB3 LEU A 146 -10.277 -11.061 5.796 1.00 22.44 H new ATOM 0 HG LEU A 146 -9.305 -8.186 5.689 1.00 72.52 H new ATOM 0 HD11 LEU A 146 -7.019 -9.038 5.998 1.00 40.43 H new ATOM 0 HD12 LEU A 146 -8.034 -9.310 7.434 1.00 40.43 H new ATOM 0 HD13 LEU A 146 -7.673 -10.659 6.330 1.00 40.43 H new ATOM 0 HD21 LEU A 146 -8.026 -8.990 3.720 1.00 44.33 H new ATOM 0 HD22 LEU A 146 -8.742 -10.607 3.923 1.00 44.33 H new ATOM 0 HD23 LEU A 146 -9.779 -9.221 3.511 1.00 44.33 H new ATOM 2390 N GLN A 147 -13.288 -11.108 6.589 1.00 3.23 N ATOM 2391 CA GLN A 147 -14.213 -12.262 6.592 1.00 41.42 C ATOM 2392 C GLN A 147 -15.568 -11.931 5.915 1.00 32.25 C ATOM 2393 O GLN A 147 -16.116 -12.756 5.168 1.00 34.53 O ATOM 2394 CB GLN A 147 -14.414 -12.765 8.047 1.00 43.32 C ATOM 2395 CG GLN A 147 -13.088 -13.089 8.778 1.00 51.12 C ATOM 2396 CD GLN A 147 -13.273 -13.845 10.089 1.00 75.22 C ATOM 2397 OE1 GLN A 147 -13.438 -13.254 11.151 1.00 44.23 O ATOM 2398 NE2 GLN A 147 -13.236 -15.159 10.022 1.00 21.31 N ATOM 0 H GLN A 147 -13.117 -10.718 7.516 1.00 3.23 H new ATOM 0 HA GLN A 147 -13.763 -13.059 5.999 1.00 41.42 H new ATOM 0 HB2 GLN A 147 -14.956 -12.007 8.613 1.00 43.32 H new ATOM 0 HB3 GLN A 147 -15.038 -13.658 8.031 1.00 43.32 H new ATOM 0 HG2 GLN A 147 -12.455 -13.679 8.116 1.00 51.12 H new ATOM 0 HG3 GLN A 147 -12.558 -12.158 8.979 1.00 51.12 H new ATOM 0 HE21 GLN A 147 -13.097 -15.620 9.123 1.00 21.31 H new ATOM 0 HE22 GLN A 147 -13.346 -15.716 10.869 1.00 21.31 H new ATOM 2407 N GLN A 148 -16.102 -10.716 6.176 1.00 41.21 N ATOM 2408 CA GLN A 148 -17.345 -10.238 5.527 1.00 33.11 C ATOM 2409 C GLN A 148 -17.117 -9.957 4.023 1.00 0.52 C ATOM 2410 O GLN A 148 -17.946 -10.319 3.197 1.00 73.40 O ATOM 2411 CB GLN A 148 -17.932 -9.000 6.269 1.00 10.50 C ATOM 2412 CG GLN A 148 -17.162 -7.675 6.111 1.00 51.23 C ATOM 2413 CD GLN A 148 -17.643 -6.575 7.066 1.00 24.43 C ATOM 2414 OE1 GLN A 148 -17.119 -6.412 8.165 1.00 54.12 O ATOM 2415 NE2 GLN A 148 -18.663 -5.835 6.673 1.00 73.11 N ATOM 0 H GLN A 148 -15.692 -10.049 6.830 1.00 41.21 H new ATOM 0 HA GLN A 148 -18.087 -11.033 5.598 1.00 33.11 H new ATOM 0 HB2 GLN A 148 -18.953 -8.845 5.919 1.00 10.50 H new ATOM 0 HB3 GLN A 148 -17.991 -9.236 7.332 1.00 10.50 H new ATOM 0 HG2 GLN A 148 -16.101 -7.857 6.283 1.00 51.23 H new ATOM 0 HG3 GLN A 148 -17.263 -7.324 5.084 1.00 51.23 H new ATOM 0 HE21 GLN A 148 -19.081 -5.989 5.756 1.00 73.11 H new ATOM 0 HE22 GLN A 148 -19.033 -5.109 7.287 1.00 73.11 H new ATOM 2424 N GLN A 149 -15.957 -9.358 3.675 1.00 44.03 N ATOM 2425 CA GLN A 149 -15.567 -9.125 2.263 1.00 45.00 C ATOM 2426 C GLN A 149 -15.261 -10.450 1.537 1.00 30.12 C ATOM 2427 O GLN A 149 -15.456 -10.542 0.334 1.00 44.25 O ATOM 2428 CB GLN A 149 -14.343 -8.176 2.179 1.00 2.21 C ATOM 2429 CG GLN A 149 -14.653 -6.697 2.513 1.00 21.51 C ATOM 2430 CD GLN A 149 -15.425 -5.975 1.409 1.00 11.22 C ATOM 2431 OE1 GLN A 149 -14.838 -5.382 0.513 1.00 34.14 O ATOM 2432 NE2 GLN A 149 -16.737 -6.025 1.451 1.00 2.44 N ATOM 0 H GLN A 149 -15.271 -9.026 4.353 1.00 44.03 H new ATOM 0 HA GLN A 149 -16.413 -8.652 1.765 1.00 45.00 H new ATOM 0 HB2 GLN A 149 -13.573 -8.536 2.862 1.00 2.21 H new ATOM 0 HB3 GLN A 149 -13.927 -8.229 1.173 1.00 2.21 H new ATOM 0 HG2 GLN A 149 -15.229 -6.654 3.437 1.00 21.51 H new ATOM 0 HG3 GLN A 149 -13.717 -6.170 2.696 1.00 21.51 H new ATOM 0 HE21 GLN A 149 -17.204 -6.525 2.207 1.00 2.44 H new ATOM 0 HE22 GLN A 149 -17.288 -5.564 0.727 1.00 2.44 H new ATOM 2441 N TYR A 150 -14.778 -11.459 2.289 1.00 64.43 N ATOM 2442 CA TYR A 150 -14.487 -12.811 1.765 1.00 34.43 C ATOM 2443 C TYR A 150 -15.786 -13.520 1.353 1.00 22.30 C ATOM 2444 O TYR A 150 -15.892 -13.983 0.227 1.00 11.02 O ATOM 2445 CB TYR A 150 -13.724 -13.654 2.821 1.00 12.12 C ATOM 2446 CG TYR A 150 -13.276 -15.065 2.371 1.00 22.54 C ATOM 2447 CD1 TYR A 150 -14.100 -16.185 2.545 1.00 60.01 C ATOM 2448 CD2 TYR A 150 -12.015 -15.287 1.798 1.00 11.45 C ATOM 2449 CE1 TYR A 150 -13.688 -17.449 2.170 1.00 73.21 C ATOM 2450 CE2 TYR A 150 -11.601 -16.552 1.418 1.00 63.50 C ATOM 2451 CZ TYR A 150 -12.440 -17.628 1.610 1.00 14.13 C ATOM 2452 OH TYR A 150 -12.030 -18.891 1.244 1.00 41.34 O ATOM 0 H TYR A 150 -14.577 -11.359 3.284 1.00 64.43 H new ATOM 0 HA TYR A 150 -13.854 -12.707 0.884 1.00 34.43 H new ATOM 0 HB2 TYR A 150 -12.841 -13.096 3.132 1.00 12.12 H new ATOM 0 HB3 TYR A 150 -14.360 -13.760 3.700 1.00 12.12 H new ATOM 0 HD1 TYR A 150 -15.079 -16.057 2.982 1.00 60.01 H new ATOM 0 HD2 TYR A 150 -11.350 -14.449 1.649 1.00 11.45 H new ATOM 0 HE1 TYR A 150 -14.342 -18.296 2.315 1.00 73.21 H new ATOM 0 HE2 TYR A 150 -10.627 -16.695 0.974 1.00 63.50 H new ATOM 0 HH TYR A 150 -11.128 -18.845 0.864 1.00 41.34 H new ATOM 2462 N ARG A 151 -16.773 -13.591 2.275 1.00 2.24 N ATOM 2463 CA ARG A 151 -18.056 -14.285 2.008 1.00 40.21 C ATOM 2464 C ARG A 151 -18.891 -13.561 0.916 1.00 42.44 C ATOM 2465 O ARG A 151 -19.576 -14.211 0.107 1.00 41.15 O ATOM 2466 CB ARG A 151 -18.886 -14.473 3.305 1.00 52.41 C ATOM 2467 CG ARG A 151 -19.473 -13.187 3.936 1.00 30.54 C ATOM 2468 CD ARG A 151 -20.461 -13.493 5.083 1.00 44.13 C ATOM 2469 NE ARG A 151 -21.561 -14.375 4.631 1.00 15.45 N ATOM 2470 CZ ARG A 151 -22.567 -14.811 5.369 1.00 60.12 C ATOM 2471 NH1 ARG A 151 -22.723 -14.441 6.603 1.00 23.12 N ATOM 2472 NH2 ARG A 151 -23.438 -15.610 4.840 1.00 44.50 N ATOM 0 H ARG A 151 -16.708 -13.179 3.206 1.00 2.24 H new ATOM 0 HA ARG A 151 -17.804 -15.274 1.627 1.00 40.21 H new ATOM 0 HB2 ARG A 151 -19.709 -15.154 3.089 1.00 52.41 H new ATOM 0 HB3 ARG A 151 -18.255 -14.961 4.048 1.00 52.41 H new ATOM 0 HG2 ARG A 151 -18.660 -12.568 4.316 1.00 30.54 H new ATOM 0 HG3 ARG A 151 -19.982 -12.607 3.166 1.00 30.54 H new ATOM 0 HD2 ARG A 151 -19.928 -13.968 5.907 1.00 44.13 H new ATOM 0 HD3 ARG A 151 -20.875 -12.560 5.466 1.00 44.13 H new ATOM 0 HE ARG A 151 -21.540 -14.675 3.656 1.00 15.45 H new ATOM 0 HH11 ARG A 151 -22.058 -13.796 7.030 1.00 23.12 H new ATOM 0 HH12 ARG A 151 -23.510 -14.796 7.146 1.00 23.12 H new ATOM 0 HH21 ARG A 151 -23.343 -15.895 3.865 1.00 44.50 H new ATOM 0 HH22 ARG A 151 -24.219 -15.954 5.398 1.00 44.50 H new ATOM 2486 N LEU A 152 -18.805 -12.209 0.880 1.00 43.03 N ATOM 2487 CA LEU A 152 -19.431 -11.400 -0.185 1.00 75.12 C ATOM 2488 C LEU A 152 -18.713 -11.634 -1.527 1.00 51.52 C ATOM 2489 O LEU A 152 -19.339 -11.646 -2.574 1.00 50.15 O ATOM 2490 CB LEU A 152 -19.418 -9.890 0.174 1.00 71.11 C ATOM 2491 CG LEU A 152 -20.307 -9.463 1.387 1.00 15.14 C ATOM 2492 CD1 LEU A 152 -20.133 -7.961 1.694 1.00 15.54 C ATOM 2493 CD2 LEU A 152 -21.795 -9.835 1.170 1.00 73.42 C ATOM 0 H LEU A 152 -18.307 -11.659 1.579 1.00 43.03 H new ATOM 0 HA LEU A 152 -20.470 -11.716 -0.279 1.00 75.12 H new ATOM 0 HB2 LEU A 152 -18.389 -9.596 0.382 1.00 71.11 H new ATOM 0 HB3 LEU A 152 -19.739 -9.326 -0.702 1.00 71.11 H new ATOM 0 HG LEU A 152 -19.968 -10.023 2.259 1.00 15.14 H new ATOM 0 HD11 LEU A 152 -20.761 -7.688 2.542 1.00 15.54 H new ATOM 0 HD12 LEU A 152 -19.090 -7.757 1.935 1.00 15.54 H new ATOM 0 HD13 LEU A 152 -20.425 -7.375 0.822 1.00 15.54 H new ATOM 0 HD21 LEU A 152 -22.378 -9.521 2.036 1.00 73.42 H new ATOM 0 HD22 LEU A 152 -22.169 -9.332 0.278 1.00 73.42 H new ATOM 0 HD23 LEU A 152 -21.886 -10.914 1.043 1.00 73.42 H new ATOM 2505 N PHE A 153 -17.389 -11.802 -1.476 1.00 51.23 N ATOM 2506 CA PHE A 153 -16.578 -12.159 -2.654 1.00 23.23 C ATOM 2507 C PHE A 153 -16.927 -13.576 -3.184 1.00 71.23 C ATOM 2508 O PHE A 153 -16.979 -13.798 -4.399 1.00 23.01 O ATOM 2509 CB PHE A 153 -15.082 -12.066 -2.289 1.00 61.43 C ATOM 2510 CG PHE A 153 -14.157 -12.071 -3.482 1.00 13.40 C ATOM 2511 CD1 PHE A 153 -13.962 -10.908 -4.219 1.00 25.25 C ATOM 2512 CD2 PHE A 153 -13.496 -13.226 -3.883 1.00 1.13 C ATOM 2513 CE1 PHE A 153 -13.133 -10.902 -5.311 1.00 14.42 C ATOM 2514 CE2 PHE A 153 -12.670 -13.209 -4.975 1.00 14.54 C ATOM 2515 CZ PHE A 153 -12.494 -12.050 -5.688 1.00 31.43 C ATOM 0 H PHE A 153 -16.845 -11.696 -0.620 1.00 51.23 H new ATOM 0 HA PHE A 153 -16.803 -11.455 -3.455 1.00 23.23 H new ATOM 0 HB2 PHE A 153 -14.914 -11.154 -1.716 1.00 61.43 H new ATOM 0 HB3 PHE A 153 -14.825 -12.902 -1.639 1.00 61.43 H new ATOM 0 HD1 PHE A 153 -14.469 -10.000 -3.928 1.00 25.25 H new ATOM 0 HD2 PHE A 153 -13.635 -14.143 -3.330 1.00 1.13 H new ATOM 0 HE1 PHE A 153 -12.985 -9.991 -5.873 1.00 14.42 H new ATOM 0 HE2 PHE A 153 -12.156 -14.110 -5.276 1.00 14.54 H new ATOM 0 HZ PHE A 153 -11.847 -12.045 -6.552 1.00 31.43 H new ATOM 2525 N GLN A 154 -17.185 -14.517 -2.252 1.00 52.23 N ATOM 2526 CA GLN A 154 -17.536 -15.913 -2.587 1.00 23.34 C ATOM 2527 C GLN A 154 -18.924 -16.003 -3.242 1.00 51.25 C ATOM 2528 O GLN A 154 -19.104 -16.765 -4.198 1.00 32.53 O ATOM 2529 CB GLN A 154 -17.473 -16.832 -1.336 1.00 10.25 C ATOM 2530 CG GLN A 154 -16.071 -16.988 -0.715 1.00 23.24 C ATOM 2531 CD GLN A 154 -15.027 -17.577 -1.667 1.00 32.42 C ATOM 2532 OE1 GLN A 154 -13.794 -17.145 -1.532 1.00 30.23 O flip ATOM 2533 NE2 GLN A 154 -15.323 -18.405 -2.524 1.00 43.34 N flip ATOM 0 H GLN A 154 -17.156 -14.331 -1.249 1.00 52.23 H new ATOM 0 HA GLN A 154 -16.795 -16.262 -3.306 1.00 23.34 H new ATOM 0 HB2 GLN A 154 -18.148 -16.436 -0.578 1.00 10.25 H new ATOM 0 HB3 GLN A 154 -17.845 -17.819 -1.609 1.00 10.25 H new ATOM 0 HG2 GLN A 154 -15.726 -16.012 -0.374 1.00 23.24 H new ATOM 0 HG3 GLN A 154 -16.145 -17.626 0.166 1.00 23.24 H new ATOM 0 HE21 GLN A 154 -16.287 -18.727 -2.611 1.00 43.34 H new ATOM 0 HE22 GLN A 154 -14.605 -18.771 -3.149 1.00 43.34 H new ATOM 2542 N THR A 155 -19.895 -15.189 -2.754 1.00 2.05 N ATOM 2543 CA THR A 155 -21.264 -15.178 -3.334 1.00 61.31 C ATOM 2544 C THR A 155 -21.258 -14.596 -4.773 1.00 71.33 C ATOM 2545 O THR A 155 -22.165 -14.871 -5.558 1.00 2.24 O ATOM 2546 CB THR A 155 -22.317 -14.424 -2.446 1.00 14.01 C ATOM 2547 OG1 THR A 155 -23.649 -14.713 -2.920 1.00 34.21 O ATOM 2548 CG2 THR A 155 -22.121 -12.904 -2.433 1.00 31.32 C ATOM 0 H THR A 155 -19.761 -14.543 -1.976 1.00 2.05 H new ATOM 0 HA THR A 155 -21.577 -16.222 -3.369 1.00 61.31 H new ATOM 0 HB THR A 155 -22.174 -14.782 -1.427 1.00 14.01 H new ATOM 0 HG1 THR A 155 -24.304 -14.242 -2.363 1.00 34.21 H new ATOM 0 HG21 THR A 155 -22.881 -12.445 -1.801 1.00 31.32 H new ATOM 0 HG22 THR A 155 -21.132 -12.668 -2.041 1.00 31.32 H new ATOM 0 HG23 THR A 155 -22.211 -12.517 -3.448 1.00 31.32 H new ATOM 2556 N ARG A 156 -20.212 -13.807 -5.115 1.00 5.44 N ATOM 2557 CA ARG A 156 -20.016 -13.283 -6.482 1.00 4.33 C ATOM 2558 C ARG A 156 -19.592 -14.410 -7.445 1.00 11.33 C ATOM 2559 O ARG A 156 -20.321 -14.738 -8.374 1.00 43.11 O ATOM 2560 CB ARG A 156 -18.941 -12.163 -6.491 1.00 3.53 C ATOM 2561 CG ARG A 156 -19.263 -10.940 -5.610 1.00 23.31 C ATOM 2562 CD ARG A 156 -18.076 -9.965 -5.503 1.00 70.42 C ATOM 2563 NE ARG A 156 -18.243 -8.975 -4.424 1.00 75.52 N ATOM 2564 CZ ARG A 156 -17.269 -8.243 -3.909 1.00 53.12 C ATOM 2565 NH1 ARG A 156 -16.062 -8.281 -4.395 1.00 13.13 N ATOM 2566 NH2 ARG A 156 -17.517 -7.443 -2.924 1.00 33.21 N ATOM 0 H ARG A 156 -19.488 -13.520 -4.456 1.00 5.44 H new ATOM 0 HA ARG A 156 -20.966 -12.868 -6.818 1.00 4.33 H new ATOM 0 HB2 ARG A 156 -17.993 -12.588 -6.162 1.00 3.53 H new ATOM 0 HB3 ARG A 156 -18.800 -11.825 -7.518 1.00 3.53 H new ATOM 0 HG2 ARG A 156 -20.125 -10.415 -6.023 1.00 23.31 H new ATOM 0 HG3 ARG A 156 -19.543 -11.278 -4.612 1.00 23.31 H new ATOM 0 HD2 ARG A 156 -17.161 -10.532 -5.331 1.00 70.42 H new ATOM 0 HD3 ARG A 156 -17.954 -9.443 -6.452 1.00 70.42 H new ATOM 0 HE ARG A 156 -19.181 -8.844 -4.046 1.00 75.52 H new ATOM 0 HH11 ARG A 156 -15.851 -8.884 -5.190 1.00 13.13 H new ATOM 0 HH12 ARG A 156 -15.327 -7.707 -3.981 1.00 13.13 H new ATOM 0 HH21 ARG A 156 -18.462 -7.377 -2.546 1.00 33.21 H new ATOM 0 HH22 ARG A 156 -16.768 -6.878 -2.525 1.00 33.21 H new ATOM 2580 N LEU A 157 -18.424 -15.025 -7.168 1.00 71.52 N ATOM 2581 CA LEU A 157 -17.797 -16.029 -8.065 1.00 62.51 C ATOM 2582 C LEU A 157 -18.608 -17.349 -8.179 1.00 64.21 C ATOM 2583 O LEU A 157 -18.554 -18.018 -9.216 1.00 20.43 O ATOM 2584 CB LEU A 157 -16.309 -16.277 -7.651 1.00 24.53 C ATOM 2585 CG LEU A 157 -16.009 -16.537 -6.128 1.00 71.33 C ATOM 2586 CD1 LEU A 157 -16.409 -17.953 -5.666 1.00 5.52 C ATOM 2587 CD2 LEU A 157 -14.532 -16.241 -5.793 1.00 35.43 C ATOM 0 H LEU A 157 -17.887 -14.843 -6.320 1.00 71.52 H new ATOM 0 HA LEU A 157 -17.806 -15.609 -9.071 1.00 62.51 H new ATOM 0 HB2 LEU A 157 -15.941 -17.133 -8.217 1.00 24.53 H new ATOM 0 HB3 LEU A 157 -15.724 -15.412 -7.966 1.00 24.53 H new ATOM 0 HG LEU A 157 -16.637 -15.842 -5.570 1.00 71.33 H new ATOM 0 HD11 LEU A 157 -16.177 -18.069 -4.607 1.00 5.52 H new ATOM 0 HD12 LEU A 157 -17.478 -18.098 -5.821 1.00 5.52 H new ATOM 0 HD13 LEU A 157 -15.855 -18.694 -6.243 1.00 5.52 H new ATOM 0 HD21 LEU A 157 -14.354 -16.429 -4.734 1.00 35.43 H new ATOM 0 HD22 LEU A 157 -13.887 -16.886 -6.390 1.00 35.43 H new ATOM 0 HD23 LEU A 157 -14.310 -15.198 -6.018 1.00 35.43 H new ATOM 2599 N THR A 158 -19.359 -17.722 -7.117 1.00 52.25 N ATOM 2600 CA THR A 158 -20.238 -18.925 -7.161 1.00 12.22 C ATOM 2601 C THR A 158 -21.475 -18.687 -8.069 1.00 73.42 C ATOM 2602 O THR A 158 -22.068 -19.637 -8.586 1.00 20.44 O ATOM 2603 CB THR A 158 -20.696 -19.396 -5.730 1.00 42.52 C ATOM 2604 OG1 THR A 158 -21.307 -20.703 -5.792 1.00 2.51 O ATOM 2605 CG2 THR A 158 -21.677 -18.416 -5.065 1.00 3.32 C ATOM 0 H THR A 158 -19.378 -17.219 -6.230 1.00 52.25 H new ATOM 0 HA THR A 158 -19.635 -19.726 -7.589 1.00 12.22 H new ATOM 0 HB THR A 158 -19.793 -19.433 -5.121 1.00 42.52 H new ATOM 0 HG1 THR A 158 -21.583 -20.978 -4.893 1.00 2.51 H new ATOM 0 HG21 THR A 158 -21.958 -18.793 -4.082 1.00 3.32 H new ATOM 0 HG22 THR A 158 -21.201 -17.441 -4.958 1.00 3.32 H new ATOM 0 HG23 THR A 158 -22.569 -18.318 -5.684 1.00 3.32 H new ATOM 2613 N GLU A 159 -21.842 -17.402 -8.258 1.00 32.11 N ATOM 2614 CA GLU A 159 -22.970 -16.985 -9.126 1.00 32.00 C ATOM 2615 C GLU A 159 -22.467 -16.355 -10.456 1.00 33.41 C ATOM 2616 O GLU A 159 -23.278 -16.005 -11.320 1.00 1.22 O ATOM 2617 CB GLU A 159 -23.870 -15.973 -8.359 1.00 75.12 C ATOM 2618 CG GLU A 159 -24.471 -16.505 -7.034 1.00 72.32 C ATOM 2619 CD GLU A 159 -25.445 -17.678 -7.223 1.00 51.33 C ATOM 2620 OE1 GLU A 159 -26.630 -17.427 -7.526 1.00 52.21 O ATOM 2621 OE2 GLU A 159 -25.036 -18.852 -7.065 1.00 3.13 O ATOM 0 H GLU A 159 -21.364 -16.619 -7.812 1.00 32.11 H new ATOM 0 HA GLU A 159 -23.550 -17.872 -9.381 1.00 32.00 H new ATOM 0 HB2 GLU A 159 -23.284 -15.080 -8.142 1.00 75.12 H new ATOM 0 HB3 GLU A 159 -24.686 -15.667 -9.014 1.00 75.12 H new ATOM 0 HG2 GLU A 159 -23.659 -16.821 -6.378 1.00 72.32 H new ATOM 0 HG3 GLU A 159 -24.991 -15.691 -6.529 1.00 72.32 H new ATOM 2628 N THR A 160 -21.132 -16.213 -10.609 1.00 10.02 N ATOM 2629 CA THR A 160 -20.494 -15.576 -11.800 1.00 65.12 C ATOM 2630 C THR A 160 -19.271 -16.416 -12.285 1.00 41.33 C ATOM 2631 O THR A 160 -19.420 -17.195 -13.251 1.00 50.21 O ATOM 2632 CB THR A 160 -20.042 -14.097 -11.488 1.00 71.05 C ATOM 2633 OG1 THR A 160 -21.155 -13.348 -10.967 1.00 72.31 O ATOM 2634 CG2 THR A 160 -19.486 -13.371 -12.734 1.00 55.02 C ATOM 2635 OXT THR A 160 -18.178 -16.320 -11.682 1.00 37.76 O ATOM 0 H THR A 160 -20.459 -16.535 -9.913 1.00 10.02 H new ATOM 0 HA THR A 160 -21.240 -15.545 -12.594 1.00 65.12 H new ATOM 0 HB THR A 160 -19.240 -14.157 -10.752 1.00 71.05 H new ATOM 0 HG1 THR A 160 -21.246 -13.523 -10.007 1.00 72.31 H new ATOM 0 HG21 THR A 160 -19.190 -12.358 -12.463 1.00 55.02 H new ATOM 0 HG22 THR A 160 -18.620 -13.912 -13.114 1.00 55.02 H new ATOM 0 HG23 THR A 160 -20.256 -13.330 -13.505 1.00 55.02 H new TER 2643 THR A 160