USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1111 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 91 THR OG1 : rot -88:sc= 1.24 USER MOD Set 1.2: A 93 CYS SG : rot -28:sc= -4.42! USER MOD Set 2.1: A 70 THR OG1 : rot -142:sc= -0.0112 USER MOD Set 2.2: A 73 MET CE :methyl -153:sc= -0.0384 (180deg=-0.336) USER MOD Set 3.1: A 44 HIS : no HE2:sc= -2.47! C(o=-4.7!,f=-7.4!) USER MOD Set 3.2: A 46 GLN : amide:sc= -2.23! K(o=-4.7!,f=-2.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.867 (180deg=0.428!) USER MOD Single : A 3 HIS : no HE2:sc= 0.362 K(o=0.36,f=-1.4) USER MOD Single : A 4 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=-0.42) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 8 HIS : no HD1:sc=-0.00326 X(o=-0.0033,f=-0.29) USER MOD Single : A 9 SER OG : rot 41:sc= 0.257 USER MOD Single : A 10 HIS : no HD1:sc= -0.0742 K(o=-0.074,f=-0.8) USER MOD Single : A 11 MET CE :methyl 164:sc= -0.113 (180deg=-0.47) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0995 USER MOD Single : A 21 MET CE :methyl 169:sc= 0 (180deg=-0.259) USER MOD Single : A 25 ASN : amide:sc= -1.52! C(o=-1.5!,f=-9.6!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0139 X(o=-0.014,f=-0.18) USER MOD Single : A 67 ASN : amide:sc= 0.621 K(o=0.62,f=-0.68) USER MOD Single : A 69 GLN : amide:sc= -1.94 X(o=-1.9,f=-1.7) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0557 USER MOD Single : A 78 SER OG : rot 81:sc= 0.0555 USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 0.398 (180deg=0.37) USER MOD Single : A 84 TYR OH : rot 23:sc= -0.0761 USER MOD Single : A 86 SER OG : rot -10:sc= -0.217 USER MOD Single : A 88 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.51) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0732 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 106 SER OG : rot 93:sc= 0.996 USER MOD Single : A 108 MET CE :methyl -140:sc= -0.129 (180deg=-0.789) USER MOD Single : A 109 GLN : amide:sc= -0.665 K(o=-0.66,f=-5.7!) USER MOD Single : A 111 SER OG : rot -113:sc= 0.197 USER MOD Single : A 113 LYS NZ :NH3+ 161:sc= 1.76 (180deg=0.784) USER MOD Single : A 114 GLN : amide:sc= -5.51! K(o=-5.5!,f=-2.7) USER MOD Single : A 115 ASN : amide:sc= -0.213 K(o=-0.21,f=-3.5!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 123 ASN : amide:sc= -0.127 K(o=-0.13,f=-1) USER MOD Single : A 124 SER OG : rot 91:sc= 0.877 USER MOD Single : A 127 SER OG : rot 69:sc= 1.21 USER MOD Single : A 131 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A 135 THR OG1 : rot 66:sc= 0.86 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.959 60.560 4.812 1.00 55.24 N ATOM 2 CA MET A 1 10.778 60.835 3.369 1.00 1.22 C ATOM 3 C MET A 1 9.971 59.691 2.744 1.00 23.34 C ATOM 4 O MET A 1 10.541 58.681 2.322 1.00 51.33 O ATOM 5 CB MET A 1 12.159 61.011 2.661 1.00 25.04 C ATOM 6 CG MET A 1 13.024 62.166 3.203 1.00 24.32 C ATOM 7 SD MET A 1 13.482 61.952 4.941 1.00 3.30 S ATOM 8 CE MET A 1 14.472 63.417 5.251 1.00 31.40 C ATOM 0 H1 MET A 1 11.727 61.154 5.185 1.00 55.24 H new ATOM 0 H2 MET A 1 10.077 60.775 5.320 1.00 55.24 H new ATOM 0 H3 MET A 1 11.200 59.557 4.947 1.00 55.24 H new ATOM 0 HA MET A 1 10.231 61.769 3.239 1.00 1.22 H new ATOM 0 HB2 MET A 1 12.720 60.081 2.755 1.00 25.04 H new ATOM 0 HB3 MET A 1 11.987 61.173 1.597 1.00 25.04 H new ATOM 0 HG2 MET A 1 13.930 62.247 2.602 1.00 24.32 H new ATOM 0 HG3 MET A 1 12.480 63.104 3.089 1.00 24.32 H new ATOM 0 HE1 MET A 1 14.817 63.411 6.285 1.00 31.40 H new ATOM 0 HE2 MET A 1 15.332 63.424 4.581 1.00 31.40 H new ATOM 0 HE3 MET A 1 13.869 64.308 5.076 1.00 31.40 H new ATOM 20 N GLY A 2 8.628 59.844 2.739 1.00 72.44 N ATOM 21 CA GLY A 2 7.718 58.807 2.251 1.00 15.25 C ATOM 22 C GLY A 2 7.692 57.589 3.168 1.00 63.44 C ATOM 23 O GLY A 2 7.517 57.740 4.380 1.00 11.31 O ATOM 0 H GLY A 2 8.157 60.685 3.072 1.00 72.44 H new ATOM 0 HA2 GLY A 2 6.712 59.218 2.167 1.00 15.25 H new ATOM 0 HA3 GLY A 2 8.022 58.500 1.250 1.00 15.25 H new ATOM 27 N HIS A 3 7.845 56.392 2.581 1.00 65.41 N ATOM 28 CA HIS A 3 7.955 55.110 3.308 1.00 45.51 C ATOM 29 C HIS A 3 6.730 54.858 4.216 1.00 64.13 C ATOM 30 O HIS A 3 6.812 54.965 5.445 1.00 52.42 O ATOM 31 CB HIS A 3 9.296 55.005 4.098 1.00 32.03 C ATOM 32 CG HIS A 3 10.515 54.923 3.220 1.00 61.21 C ATOM 33 ND1 HIS A 3 11.308 56.008 2.936 1.00 71.52 N ATOM 34 CD2 HIS A 3 11.084 53.871 2.583 1.00 14.44 C ATOM 35 CE1 HIS A 3 12.306 55.634 2.169 1.00 34.33 C ATOM 36 NE2 HIS A 3 12.199 54.343 1.940 1.00 44.00 N ATOM 0 H HIS A 3 7.897 56.282 1.568 1.00 65.41 H new ATOM 0 HA HIS A 3 7.964 54.318 2.559 1.00 45.51 H new ATOM 0 HB2 HIS A 3 9.389 55.871 4.753 1.00 32.03 H new ATOM 0 HB3 HIS A 3 9.261 54.124 4.738 1.00 32.03 H new ATOM 0 HD1 HIS A 3 11.146 56.958 3.270 1.00 71.52 H new ATOM 0 HD2 HIS A 3 10.726 52.852 2.582 1.00 14.44 H new ATOM 0 HE1 HIS A 3 13.085 56.279 1.789 1.00 34.33 H new ATOM 45 N HIS A 4 5.583 54.588 3.579 1.00 13.23 N ATOM 46 CA HIS A 4 4.327 54.227 4.269 1.00 44.31 C ATOM 47 C HIS A 4 4.217 52.695 4.346 1.00 32.11 C ATOM 48 O HIS A 4 4.684 51.993 3.439 1.00 42.02 O ATOM 49 CB HIS A 4 3.105 54.836 3.524 1.00 61.23 C ATOM 50 CG HIS A 4 2.983 56.336 3.639 1.00 10.12 C ATOM 51 ND1 HIS A 4 1.775 56.992 3.560 1.00 12.32 N ATOM 52 CD2 HIS A 4 3.915 57.306 3.831 1.00 13.11 C ATOM 53 CE1 HIS A 4 1.968 58.288 3.700 1.00 72.22 C ATOM 54 NE2 HIS A 4 3.253 58.504 3.868 1.00 55.15 N ATOM 0 H HIS A 4 5.495 54.613 2.563 1.00 13.23 H new ATOM 0 HA HIS A 4 4.335 54.634 5.280 1.00 44.31 H new ATOM 0 HB2 HIS A 4 3.170 54.570 2.469 1.00 61.23 H new ATOM 0 HB3 HIS A 4 2.195 54.380 3.913 1.00 61.23 H new ATOM 0 HD2 HIS A 4 4.980 57.159 3.935 1.00 13.11 H new ATOM 0 HE1 HIS A 4 1.199 59.046 3.680 1.00 72.22 H new ATOM 0 HE2 HIS A 4 3.687 59.417 4.004 1.00 55.15 H new ATOM 63 N HIS A 5 3.604 52.183 5.426 1.00 55.41 N ATOM 64 CA HIS A 5 3.451 50.734 5.667 1.00 73.20 C ATOM 65 C HIS A 5 1.968 50.345 5.492 1.00 0.32 C ATOM 66 O HIS A 5 1.332 49.789 6.395 1.00 32.11 O ATOM 67 CB HIS A 5 3.999 50.367 7.081 1.00 32.11 C ATOM 68 CG HIS A 5 4.099 48.884 7.344 1.00 71.44 C ATOM 69 ND1 HIS A 5 3.129 48.169 8.013 1.00 44.34 N ATOM 70 CD2 HIS A 5 5.074 47.985 7.044 1.00 45.25 C ATOM 71 CE1 HIS A 5 3.495 46.909 8.107 1.00 65.44 C ATOM 72 NE2 HIS A 5 4.670 46.768 7.530 1.00 72.24 N ATOM 0 H HIS A 5 3.198 52.763 6.161 1.00 55.41 H new ATOM 0 HA HIS A 5 4.034 50.166 4.942 1.00 73.20 H new ATOM 0 HB2 HIS A 5 4.986 50.813 7.202 1.00 32.11 H new ATOM 0 HB3 HIS A 5 3.353 50.815 7.836 1.00 32.11 H new ATOM 0 HD2 HIS A 5 5.996 48.191 6.520 1.00 45.25 H new ATOM 0 HE1 HIS A 5 2.926 46.121 8.579 1.00 65.44 H new ATOM 0 HE2 HIS A 5 5.194 45.896 7.456 1.00 72.24 H new ATOM 81 N HIS A 6 1.418 50.663 4.300 1.00 13.24 N ATOM 82 CA HIS A 6 0.016 50.372 3.940 1.00 70.43 C ATOM 83 C HIS A 6 -0.073 48.965 3.293 1.00 50.32 C ATOM 84 O HIS A 6 -0.381 48.813 2.106 1.00 44.03 O ATOM 85 CB HIS A 6 -0.543 51.491 3.009 1.00 21.13 C ATOM 86 CG HIS A 6 -2.037 51.426 2.778 1.00 1.22 C ATOM 87 ND1 HIS A 6 -2.606 50.869 1.649 1.00 71.40 N ATOM 88 CD2 HIS A 6 -3.081 51.846 3.545 1.00 22.12 C ATOM 89 CE1 HIS A 6 -3.919 50.958 1.728 1.00 71.32 C ATOM 90 NE2 HIS A 6 -4.232 51.539 2.865 1.00 23.15 N ATOM 0 H HIS A 6 1.938 51.131 3.558 1.00 13.24 H new ATOM 0 HA HIS A 6 -0.605 50.363 4.836 1.00 70.43 H new ATOM 0 HB2 HIS A 6 -0.296 52.461 3.440 1.00 21.13 H new ATOM 0 HB3 HIS A 6 -0.036 51.432 2.046 1.00 21.13 H new ATOM 0 HD2 HIS A 6 -3.015 52.330 4.508 1.00 22.12 H new ATOM 0 HE1 HIS A 6 -4.620 50.612 0.983 1.00 71.32 H new ATOM 0 HE2 HIS A 6 -5.180 51.731 3.190 1.00 23.15 H new ATOM 99 N HIS A 7 0.261 47.945 4.104 1.00 30.14 N ATOM 100 CA HIS A 7 0.178 46.519 3.736 1.00 72.32 C ATOM 101 C HIS A 7 -0.320 45.737 4.970 1.00 72.21 C ATOM 102 O HIS A 7 0.474 45.345 5.830 1.00 42.54 O ATOM 103 CB HIS A 7 1.556 45.960 3.246 1.00 20.51 C ATOM 104 CG HIS A 7 2.009 46.449 1.890 1.00 72.43 C ATOM 105 ND1 HIS A 7 3.279 46.935 1.651 1.00 1.21 N ATOM 106 CD2 HIS A 7 1.377 46.460 0.693 1.00 53.31 C ATOM 107 CE1 HIS A 7 3.402 47.231 0.373 1.00 15.34 C ATOM 108 NE2 HIS A 7 2.266 46.949 -0.227 1.00 71.23 N ATOM 0 H HIS A 7 0.603 48.092 5.054 1.00 30.14 H new ATOM 0 HA HIS A 7 -0.516 46.402 2.904 1.00 72.32 H new ATOM 0 HB2 HIS A 7 2.317 46.222 3.981 1.00 20.51 H new ATOM 0 HB3 HIS A 7 1.499 44.872 3.221 1.00 20.51 H new ATOM 0 HD2 HIS A 7 0.363 46.143 0.500 1.00 53.31 H new ATOM 0 HE1 HIS A 7 4.284 47.636 -0.101 1.00 15.34 H new ATOM 0 HE2 HIS A 7 2.077 47.075 -1.221 1.00 71.23 H new ATOM 117 N HIS A 8 -1.651 45.562 5.066 1.00 20.13 N ATOM 118 CA HIS A 8 -2.300 44.889 6.210 1.00 43.11 C ATOM 119 C HIS A 8 -2.264 43.364 6.005 1.00 23.45 C ATOM 120 O HIS A 8 -2.606 42.880 4.918 1.00 22.52 O ATOM 121 CB HIS A 8 -3.767 45.382 6.373 1.00 50.10 C ATOM 122 CG HIS A 8 -4.502 44.793 7.559 1.00 52.41 C ATOM 123 ND1 HIS A 8 -5.092 43.544 7.539 1.00 74.12 N ATOM 124 CD2 HIS A 8 -4.738 45.288 8.803 1.00 32.33 C ATOM 125 CE1 HIS A 8 -5.651 43.302 8.709 1.00 14.03 C ATOM 126 NE2 HIS A 8 -5.454 44.342 9.488 1.00 33.25 N ATOM 0 H HIS A 8 -2.308 45.882 4.354 1.00 20.13 H new ATOM 0 HA HIS A 8 -1.755 45.137 7.121 1.00 43.11 H new ATOM 0 HB2 HIS A 8 -3.763 46.468 6.467 1.00 50.10 H new ATOM 0 HB3 HIS A 8 -4.320 45.143 5.464 1.00 50.10 H new ATOM 0 HD2 HIS A 8 -4.420 46.248 9.181 1.00 32.33 H new ATOM 0 HE1 HIS A 8 -6.181 42.401 8.981 1.00 14.03 H new ATOM 0 HE2 HIS A 8 -5.782 44.431 10.450 1.00 33.25 H new ATOM 135 N SER A 9 -1.857 42.630 7.058 1.00 10.33 N ATOM 136 CA SER A 9 -1.774 41.159 7.053 1.00 4.35 C ATOM 137 C SER A 9 -3.163 40.536 6.774 1.00 44.10 C ATOM 138 O SER A 9 -4.043 40.508 7.649 1.00 1.15 O ATOM 139 CB SER A 9 -1.181 40.655 8.401 1.00 72.12 C ATOM 140 OG SER A 9 -1.916 41.153 9.511 1.00 75.12 O ATOM 0 H SER A 9 -1.574 43.047 7.945 1.00 10.33 H new ATOM 0 HA SER A 9 -1.107 40.842 6.251 1.00 4.35 H new ATOM 0 HB2 SER A 9 -1.188 39.565 8.418 1.00 72.12 H new ATOM 0 HB3 SER A 9 -0.140 40.969 8.482 1.00 72.12 H new ATOM 0 HG SER A 9 -2.874 41.126 9.308 1.00 75.12 H new ATOM 146 N HIS A 10 -3.363 40.117 5.511 1.00 30.21 N ATOM 147 CA HIS A 10 -4.620 39.517 5.035 1.00 40.03 C ATOM 148 C HIS A 10 -4.669 38.022 5.398 1.00 20.23 C ATOM 149 O HIS A 10 -3.931 37.206 4.830 1.00 1.22 O ATOM 150 CB HIS A 10 -4.805 39.755 3.501 1.00 24.42 C ATOM 151 CG HIS A 10 -3.613 39.443 2.641 1.00 75.33 C ATOM 152 ND1 HIS A 10 -2.615 40.364 2.392 1.00 12.24 N ATOM 153 CD2 HIS A 10 -3.267 38.326 1.956 1.00 11.21 C ATOM 154 CE1 HIS A 10 -1.721 39.832 1.584 1.00 72.20 C ATOM 155 NE2 HIS A 10 -2.093 38.600 1.302 1.00 2.31 N ATOM 0 H HIS A 10 -2.649 40.187 4.786 1.00 30.21 H new ATOM 0 HA HIS A 10 -5.456 40.006 5.536 1.00 40.03 H new ATOM 0 HB2 HIS A 10 -5.645 39.151 3.158 1.00 24.42 H new ATOM 0 HB3 HIS A 10 -5.078 40.799 3.345 1.00 24.42 H new ATOM 0 HD2 HIS A 10 -3.813 37.395 1.930 1.00 11.21 H new ATOM 0 HE1 HIS A 10 -0.833 40.323 1.215 1.00 72.20 H new ATOM 0 HE2 HIS A 10 -1.589 37.954 0.695 1.00 2.31 H new ATOM 164 N MET A 11 -5.510 37.680 6.393 1.00 2.21 N ATOM 165 CA MET A 11 -5.772 36.284 6.788 1.00 31.21 C ATOM 166 C MET A 11 -6.812 35.694 5.801 1.00 25.53 C ATOM 167 O MET A 11 -7.978 35.460 6.139 1.00 20.35 O ATOM 168 CB MET A 11 -6.251 36.241 8.278 1.00 51.31 C ATOM 169 CG MET A 11 -6.344 34.837 8.900 1.00 34.04 C ATOM 170 SD MET A 11 -6.925 34.860 10.616 1.00 64.32 S ATOM 171 CE MET A 11 -8.568 35.581 10.462 1.00 65.22 C ATOM 0 H MET A 11 -6.027 38.365 6.945 1.00 2.21 H new ATOM 0 HA MET A 11 -4.869 35.675 6.735 1.00 31.21 H new ATOM 0 HB2 MET A 11 -5.568 36.842 8.879 1.00 51.31 H new ATOM 0 HB3 MET A 11 -7.231 36.714 8.341 1.00 51.31 H new ATOM 0 HG2 MET A 11 -7.019 34.225 8.302 1.00 34.04 H new ATOM 0 HG3 MET A 11 -5.364 34.362 8.860 1.00 34.04 H new ATOM 0 HE1 MET A 11 -9.135 35.393 11.374 1.00 65.22 H new ATOM 0 HE2 MET A 11 -8.480 36.656 10.304 1.00 65.22 H new ATOM 0 HE3 MET A 11 -9.085 35.131 9.614 1.00 65.22 H new ATOM 181 N GLN A 12 -6.354 35.518 4.556 1.00 63.33 N ATOM 182 CA GLN A 12 -7.194 35.202 3.404 1.00 32.04 C ATOM 183 C GLN A 12 -6.277 34.703 2.271 1.00 75.24 C ATOM 184 O GLN A 12 -5.418 35.454 1.792 1.00 55.50 O ATOM 185 CB GLN A 12 -7.992 36.466 2.956 1.00 62.22 C ATOM 186 CG GLN A 12 -8.906 36.247 1.736 1.00 44.33 C ATOM 187 CD GLN A 12 -9.665 37.510 1.320 1.00 52.12 C ATOM 188 OE1 GLN A 12 -10.779 37.768 1.780 1.00 65.23 O ATOM 189 NE2 GLN A 12 -9.062 38.314 0.454 1.00 3.44 N ATOM 0 H GLN A 12 -5.365 35.594 4.320 1.00 63.33 H new ATOM 0 HA GLN A 12 -7.919 34.429 3.661 1.00 32.04 H new ATOM 0 HB2 GLN A 12 -8.600 36.811 3.792 1.00 62.22 H new ATOM 0 HB3 GLN A 12 -7.285 37.263 2.726 1.00 62.22 H new ATOM 0 HG2 GLN A 12 -8.304 35.899 0.896 1.00 44.33 H new ATOM 0 HG3 GLN A 12 -9.623 35.458 1.963 1.00 44.33 H new ATOM 0 HE21 GLN A 12 -8.140 38.073 0.091 1.00 3.44 H new ATOM 0 HE22 GLN A 12 -9.521 39.173 0.151 1.00 3.44 H new ATOM 198 N GLU A 13 -6.441 33.424 1.903 1.00 65.54 N ATOM 199 CA GLU A 13 -5.714 32.778 0.799 1.00 62.11 C ATOM 200 C GLU A 13 -6.430 31.449 0.489 1.00 63.04 C ATOM 201 O GLU A 13 -6.290 30.476 1.240 1.00 64.34 O ATOM 202 CB GLU A 13 -4.208 32.547 1.164 1.00 52.14 C ATOM 203 CG GLU A 13 -3.347 31.994 0.013 1.00 1.32 C ATOM 204 CD GLU A 13 -1.873 31.792 0.406 1.00 52.11 C ATOM 205 OE1 GLU A 13 -1.520 30.700 0.894 1.00 24.20 O ATOM 206 OE2 GLU A 13 -1.057 32.715 0.225 1.00 72.01 O ATOM 0 H GLU A 13 -7.095 32.797 2.373 1.00 65.54 H new ATOM 0 HA GLU A 13 -5.717 33.420 -0.082 1.00 62.11 H new ATOM 0 HB2 GLU A 13 -3.780 33.492 1.499 1.00 52.14 H new ATOM 0 HB3 GLU A 13 -4.153 31.856 2.005 1.00 52.14 H new ATOM 0 HG2 GLU A 13 -3.762 31.042 -0.319 1.00 1.32 H new ATOM 0 HG3 GLU A 13 -3.401 32.678 -0.834 1.00 1.32 H new ATOM 213 N LEU A 14 -7.275 31.435 -0.565 1.00 43.41 N ATOM 214 CA LEU A 14 -8.083 30.250 -0.930 1.00 52.40 C ATOM 215 C LEU A 14 -7.251 29.292 -1.809 1.00 13.54 C ATOM 216 O LEU A 14 -6.805 29.688 -2.884 1.00 64.13 O ATOM 217 CB LEU A 14 -9.408 30.655 -1.655 1.00 14.33 C ATOM 218 CG LEU A 14 -10.511 31.341 -0.778 1.00 22.42 C ATOM 219 CD1 LEU A 14 -10.127 32.774 -0.343 1.00 21.24 C ATOM 220 CD2 LEU A 14 -11.875 31.314 -1.500 1.00 64.11 C ATOM 0 H LEU A 14 -7.416 32.236 -1.181 1.00 43.41 H new ATOM 0 HA LEU A 14 -8.361 29.736 -0.010 1.00 52.40 H new ATOM 0 HB2 LEU A 14 -9.155 31.330 -2.473 1.00 14.33 H new ATOM 0 HB3 LEU A 14 -9.838 29.759 -2.103 1.00 14.33 H new ATOM 0 HG LEU A 14 -10.595 30.760 0.141 1.00 22.42 H new ATOM 0 HD11 LEU A 14 -10.929 33.198 0.261 1.00 21.24 H new ATOM 0 HD12 LEU A 14 -9.209 32.742 0.243 1.00 21.24 H new ATOM 0 HD13 LEU A 14 -9.972 33.393 -1.227 1.00 21.24 H new ATOM 0 HD21 LEU A 14 -12.627 31.795 -0.875 1.00 64.11 H new ATOM 0 HD22 LEU A 14 -11.796 31.847 -2.447 1.00 64.11 H new ATOM 0 HD23 LEU A 14 -12.167 30.281 -1.688 1.00 64.11 H new ATOM 232 N PRO A 15 -7.039 28.011 -1.375 1.00 53.10 N ATOM 233 CA PRO A 15 -6.270 27.019 -2.144 1.00 34.42 C ATOM 234 C PRO A 15 -7.179 26.220 -3.105 1.00 30.21 C ATOM 235 O PRO A 15 -8.298 26.650 -3.420 1.00 71.42 O ATOM 236 CB PRO A 15 -5.675 26.129 -1.016 1.00 75.45 C ATOM 237 CG PRO A 15 -6.637 26.222 0.148 1.00 25.23 C ATOM 238 CD PRO A 15 -7.568 27.401 -0.125 1.00 64.14 C ATOM 0 HA PRO A 15 -5.511 27.452 -2.796 1.00 34.42 H new ATOM 0 HB2 PRO A 15 -5.567 25.097 -1.350 1.00 75.45 H new ATOM 0 HB3 PRO A 15 -4.682 26.476 -0.729 1.00 75.45 H new ATOM 0 HG2 PRO A 15 -7.207 25.298 0.250 1.00 25.23 H new ATOM 0 HG3 PRO A 15 -6.096 26.368 1.083 1.00 25.23 H new ATOM 0 HD2 PRO A 15 -8.600 27.072 -0.250 1.00 64.14 H new ATOM 0 HD3 PRO A 15 -7.558 28.114 0.700 1.00 64.14 H new ATOM 246 N ASP A 16 -6.686 25.076 -3.579 1.00 73.15 N ATOM 247 CA ASP A 16 -7.485 24.097 -4.352 1.00 11.31 C ATOM 248 C ASP A 16 -7.400 22.737 -3.641 1.00 22.44 C ATOM 249 O ASP A 16 -6.560 22.575 -2.744 1.00 72.52 O ATOM 250 CB ASP A 16 -6.979 24.004 -5.819 1.00 72.31 C ATOM 251 CG ASP A 16 -5.609 23.308 -5.957 1.00 12.30 C ATOM 252 OD1 ASP A 16 -4.595 23.884 -5.515 1.00 24.32 O ATOM 253 OD2 ASP A 16 -5.544 22.181 -6.494 1.00 32.14 O ATOM 0 H ASP A 16 -5.716 24.791 -3.442 1.00 73.15 H new ATOM 0 HA ASP A 16 -8.526 24.418 -4.398 1.00 11.31 H new ATOM 0 HB2 ASP A 16 -7.714 23.462 -6.414 1.00 72.31 H new ATOM 0 HB3 ASP A 16 -6.910 25.009 -6.235 1.00 72.31 H new ATOM 258 N SER A 17 -8.247 21.770 -4.066 1.00 54.21 N ATOM 259 CA SER A 17 -8.316 20.413 -3.475 1.00 64.41 C ATOM 260 C SER A 17 -6.920 19.766 -3.396 1.00 54.01 C ATOM 261 O SER A 17 -6.566 19.178 -2.377 1.00 72.23 O ATOM 262 CB SER A 17 -9.275 19.511 -4.292 1.00 22.15 C ATOM 263 OG SER A 17 -9.312 18.179 -3.792 1.00 12.25 O ATOM 0 H SER A 17 -8.905 21.910 -4.833 1.00 54.21 H new ATOM 0 HA SER A 17 -8.703 20.513 -2.461 1.00 64.41 H new ATOM 0 HB2 SER A 17 -10.279 19.935 -4.268 1.00 22.15 H new ATOM 0 HB3 SER A 17 -8.959 19.498 -5.335 1.00 22.15 H new ATOM 0 HG SER A 17 -9.929 17.643 -4.333 1.00 12.25 H new ATOM 269 N GLY A 18 -6.130 19.923 -4.472 1.00 4.43 N ATOM 270 CA GLY A 18 -4.765 19.412 -4.523 1.00 63.14 C ATOM 271 C GLY A 18 -4.687 18.056 -5.206 1.00 0.13 C ATOM 272 O GLY A 18 -5.310 17.087 -4.746 1.00 12.34 O ATOM 0 H GLY A 18 -6.424 20.405 -5.321 1.00 4.43 H new ATOM 0 HA2 GLY A 18 -4.132 20.122 -5.055 1.00 63.14 H new ATOM 0 HA3 GLY A 18 -4.371 19.330 -3.510 1.00 63.14 H new ATOM 276 N ALA A 19 -3.931 17.991 -6.315 1.00 60.22 N ATOM 277 CA ALA A 19 -3.671 16.745 -7.047 1.00 71.23 C ATOM 278 C ALA A 19 -2.691 15.860 -6.269 1.00 42.51 C ATOM 279 O ALA A 19 -1.893 16.355 -5.465 1.00 3.54 O ATOM 280 CB ALA A 19 -3.119 17.052 -8.450 1.00 42.01 C ATOM 0 H ALA A 19 -3.482 18.808 -6.729 1.00 60.22 H new ATOM 0 HA ALA A 19 -4.612 16.206 -7.155 1.00 71.23 H new ATOM 0 HB1 ALA A 19 -2.931 16.118 -8.980 1.00 42.01 H new ATOM 0 HB2 ALA A 19 -3.846 17.644 -9.005 1.00 42.01 H new ATOM 0 HB3 ALA A 19 -2.188 17.611 -8.360 1.00 42.01 H new ATOM 286 N LEU A 20 -2.778 14.549 -6.505 1.00 63.43 N ATOM 287 CA LEU A 20 -1.859 13.571 -5.921 1.00 30.51 C ATOM 288 C LEU A 20 -0.522 13.549 -6.689 1.00 25.43 C ATOM 289 O LEU A 20 -0.463 13.070 -7.828 1.00 23.43 O ATOM 290 CB LEU A 20 -2.476 12.142 -5.939 1.00 43.41 C ATOM 291 CG LEU A 20 -1.601 11.048 -5.248 1.00 73.13 C ATOM 292 CD1 LEU A 20 -1.446 11.359 -3.765 1.00 4.12 C ATOM 293 CD2 LEU A 20 -2.155 9.629 -5.470 1.00 24.41 C ATOM 0 H LEU A 20 -3.489 14.135 -7.108 1.00 63.43 H new ATOM 0 HA LEU A 20 -1.680 13.871 -4.888 1.00 30.51 H new ATOM 0 HB2 LEU A 20 -3.449 12.174 -5.448 1.00 43.41 H new ATOM 0 HB3 LEU A 20 -2.651 11.849 -6.974 1.00 43.41 H new ATOM 0 HG LEU A 20 -0.616 11.069 -5.714 1.00 73.13 H new ATOM 0 HD11 LEU A 20 -0.834 10.590 -3.294 1.00 4.12 H new ATOM 0 HD12 LEU A 20 -0.964 12.329 -3.645 1.00 4.12 H new ATOM 0 HD13 LEU A 20 -2.428 11.381 -3.293 1.00 4.12 H new ATOM 0 HD21 LEU A 20 -1.512 8.905 -4.970 1.00 24.41 H new ATOM 0 HD22 LEU A 20 -3.163 9.563 -5.059 1.00 24.41 H new ATOM 0 HD23 LEU A 20 -2.184 9.413 -6.538 1.00 24.41 H new ATOM 305 N MET A 21 0.538 14.112 -6.089 1.00 4.30 N ATOM 306 CA MET A 21 1.927 13.867 -6.531 1.00 61.15 C ATOM 307 C MET A 21 2.710 13.277 -5.355 1.00 15.53 C ATOM 308 O MET A 21 3.138 14.017 -4.464 1.00 0.24 O ATOM 309 CB MET A 21 2.615 15.163 -7.055 1.00 33.23 C ATOM 310 CG MET A 21 4.034 14.932 -7.620 1.00 51.44 C ATOM 311 SD MET A 21 4.817 16.436 -8.242 1.00 2.01 S ATOM 312 CE MET A 21 5.077 17.380 -6.742 1.00 12.22 C ATOM 0 H MET A 21 0.463 14.744 -5.292 1.00 4.30 H new ATOM 0 HA MET A 21 1.912 13.167 -7.366 1.00 61.15 H new ATOM 0 HB2 MET A 21 1.992 15.605 -7.833 1.00 33.23 H new ATOM 0 HB3 MET A 21 2.671 15.887 -6.242 1.00 33.23 H new ATOM 0 HG2 MET A 21 4.661 14.502 -6.839 1.00 51.44 H new ATOM 0 HG3 MET A 21 3.981 14.200 -8.426 1.00 51.44 H new ATOM 0 HE1 MET A 21 5.722 18.232 -6.956 1.00 12.22 H new ATOM 0 HE2 MET A 21 4.118 17.736 -6.365 1.00 12.22 H new ATOM 0 HE3 MET A 21 5.550 16.747 -5.991 1.00 12.22 H new ATOM 322 N LEU A 22 2.905 11.946 -5.357 1.00 22.10 N ATOM 323 CA LEU A 22 3.570 11.228 -4.256 1.00 32.32 C ATOM 324 C LEU A 22 5.073 11.509 -4.297 1.00 33.30 C ATOM 325 O LEU A 22 5.718 11.270 -5.315 1.00 23.14 O ATOM 326 CB LEU A 22 3.316 9.694 -4.383 1.00 44.11 C ATOM 327 CG LEU A 22 1.852 9.219 -4.153 1.00 44.23 C ATOM 328 CD1 LEU A 22 1.676 7.738 -4.550 1.00 1.10 C ATOM 329 CD2 LEU A 22 1.418 9.466 -2.693 1.00 72.53 C ATOM 0 H LEU A 22 2.606 11.339 -6.121 1.00 22.10 H new ATOM 0 HA LEU A 22 3.161 11.574 -3.307 1.00 32.32 H new ATOM 0 HB2 LEU A 22 3.627 9.376 -5.378 1.00 44.11 H new ATOM 0 HB3 LEU A 22 3.959 9.180 -3.669 1.00 44.11 H new ATOM 0 HG LEU A 22 1.201 9.809 -4.799 1.00 44.23 H new ATOM 0 HD11 LEU A 22 0.643 7.435 -4.378 1.00 1.10 H new ATOM 0 HD12 LEU A 22 1.920 7.613 -5.605 1.00 1.10 H new ATOM 0 HD13 LEU A 22 2.341 7.118 -3.948 1.00 1.10 H new ATOM 0 HD21 LEU A 22 0.391 9.126 -2.556 1.00 72.53 H new ATOM 0 HD22 LEU A 22 2.075 8.915 -2.020 1.00 72.53 H new ATOM 0 HD23 LEU A 22 1.480 10.531 -2.470 1.00 72.53 H new ATOM 341 N VAL A 23 5.605 12.047 -3.196 1.00 34.11 N ATOM 342 CA VAL A 23 7.049 12.303 -3.037 1.00 21.14 C ATOM 343 C VAL A 23 7.648 11.190 -2.137 1.00 42.02 C ATOM 344 O VAL A 23 6.898 10.562 -1.369 1.00 33.03 O ATOM 345 CB VAL A 23 7.312 13.756 -2.454 1.00 43.41 C ATOM 346 CG1 VAL A 23 6.634 14.837 -3.337 1.00 43.33 C ATOM 347 CG2 VAL A 23 6.879 13.888 -0.972 1.00 3.23 C ATOM 0 H VAL A 23 5.050 12.320 -2.385 1.00 34.11 H new ATOM 0 HA VAL A 23 7.543 12.275 -4.008 1.00 21.14 H new ATOM 0 HB VAL A 23 8.389 13.919 -2.479 1.00 43.41 H new ATOM 0 HG11 VAL A 23 6.828 15.824 -2.917 1.00 43.33 H new ATOM 0 HG12 VAL A 23 7.038 14.787 -4.348 1.00 43.33 H new ATOM 0 HG13 VAL A 23 5.559 14.661 -3.367 1.00 43.33 H new ATOM 0 HG21 VAL A 23 7.081 14.901 -0.623 1.00 3.23 H new ATOM 0 HG22 VAL A 23 5.813 13.680 -0.885 1.00 3.23 H new ATOM 0 HG23 VAL A 23 7.439 13.177 -0.365 1.00 3.23 H new ATOM 357 N PRO A 24 8.985 10.875 -2.246 1.00 12.40 N ATOM 358 CA PRO A 24 9.623 9.845 -1.390 1.00 73.03 C ATOM 359 C PRO A 24 9.544 10.255 0.099 1.00 34.01 C ATOM 360 O PRO A 24 10.253 11.162 0.549 1.00 54.34 O ATOM 361 CB PRO A 24 11.085 9.778 -1.921 1.00 63.22 C ATOM 362 CG PRO A 24 11.311 11.089 -2.615 1.00 75.40 C ATOM 363 CD PRO A 24 9.966 11.479 -3.192 1.00 2.53 C ATOM 0 HA PRO A 24 9.136 8.871 -1.438 1.00 73.03 H new ATOM 0 HB2 PRO A 24 11.794 9.637 -1.105 1.00 63.22 H new ATOM 0 HB3 PRO A 24 11.217 8.941 -2.607 1.00 63.22 H new ATOM 0 HG2 PRO A 24 11.673 11.845 -1.918 1.00 75.40 H new ATOM 0 HG3 PRO A 24 12.062 10.993 -3.399 1.00 75.40 H new ATOM 0 HD2 PRO A 24 9.853 12.562 -3.248 1.00 2.53 H new ATOM 0 HD3 PRO A 24 9.837 11.092 -4.203 1.00 2.53 H new ATOM 371 N ASN A 25 8.618 9.605 0.829 1.00 42.34 N ATOM 372 CA ASN A 25 8.311 9.923 2.237 1.00 74.20 C ATOM 373 C ASN A 25 9.394 9.407 3.194 1.00 1.00 C ATOM 374 O ASN A 25 10.331 8.708 2.782 1.00 23.33 O ATOM 375 CB ASN A 25 6.934 9.333 2.652 1.00 34.14 C ATOM 376 CG ASN A 25 6.826 7.813 2.507 1.00 73.25 C ATOM 377 OD1 ASN A 25 7.284 7.236 1.523 1.00 4.51 O ATOM 378 ND2 ASN A 25 6.233 7.144 3.492 1.00 45.21 N ATOM 0 H ASN A 25 8.058 8.839 0.456 1.00 42.34 H new ATOM 0 HA ASN A 25 8.278 11.010 2.311 1.00 74.20 H new ATOM 0 HB2 ASN A 25 6.736 9.601 3.690 1.00 34.14 H new ATOM 0 HB3 ASN A 25 6.156 9.799 2.048 1.00 34.14 H new ATOM 0 HD21 ASN A 25 6.150 6.129 3.441 1.00 45.21 H new ATOM 0 HD22 ASN A 25 5.861 7.646 4.298 1.00 45.21 H new ATOM 385 N ARG A 26 9.244 9.774 4.480 1.00 43.21 N ATOM 386 CA ARG A 26 10.123 9.303 5.562 1.00 42.24 C ATOM 387 C ARG A 26 9.710 7.875 5.941 1.00 53.42 C ATOM 388 O ARG A 26 8.508 7.575 5.994 1.00 63.22 O ATOM 389 CB ARG A 26 10.039 10.252 6.794 1.00 31.11 C ATOM 390 CG ARG A 26 10.260 11.764 6.502 1.00 62.41 C ATOM 391 CD ARG A 26 11.585 12.095 5.780 1.00 33.32 C ATOM 392 NE ARG A 26 11.557 11.741 4.351 1.00 74.13 N ATOM 393 CZ ARG A 26 12.633 11.533 3.575 1.00 71.51 C ATOM 394 NH1 ARG A 26 13.871 11.649 4.044 1.00 1.03 N ATOM 395 NH2 ARG A 26 12.461 11.176 2.317 1.00 4.03 N ATOM 0 H ARG A 26 8.509 10.406 4.797 1.00 43.21 H new ATOM 0 HA ARG A 26 11.158 9.305 5.221 1.00 42.24 H new ATOM 0 HB2 ARG A 26 9.059 10.130 7.256 1.00 31.11 H new ATOM 0 HB3 ARG A 26 10.779 9.931 7.527 1.00 31.11 H new ATOM 0 HG2 ARG A 26 9.431 12.128 5.895 1.00 62.41 H new ATOM 0 HG3 ARG A 26 10.229 12.310 7.445 1.00 62.41 H new ATOM 0 HD2 ARG A 26 11.794 13.160 5.882 1.00 33.32 H new ATOM 0 HD3 ARG A 26 12.402 11.562 6.266 1.00 33.32 H new ATOM 0 HE ARG A 26 10.641 11.646 3.913 1.00 74.13 H new ATOM 0 HH11 ARG A 26 14.025 11.903 5.020 1.00 1.03 H new ATOM 0 HH12 ARG A 26 14.667 11.484 3.428 1.00 1.03 H new ATOM 0 HH21 ARG A 26 11.519 11.061 1.944 1.00 4.03 H new ATOM 0 HH22 ARG A 26 13.270 11.015 1.717 1.00 4.03 H new ATOM 409 N GLN A 27 10.704 6.996 6.149 1.00 34.33 N ATOM 410 CA GLN A 27 10.465 5.604 6.566 1.00 43.13 C ATOM 411 C GLN A 27 9.781 5.572 7.952 1.00 74.43 C ATOM 412 O GLN A 27 10.431 5.750 8.987 1.00 73.34 O ATOM 413 CB GLN A 27 11.801 4.779 6.564 1.00 54.44 C ATOM 414 CG GLN A 27 12.978 5.460 7.297 1.00 41.24 C ATOM 415 CD GLN A 27 14.245 4.607 7.374 1.00 3.41 C ATOM 416 OE1 GLN A 27 14.193 3.379 7.441 1.00 54.02 O ATOM 417 NE2 GLN A 27 15.401 5.253 7.369 1.00 51.31 N ATOM 0 H GLN A 27 11.691 7.228 6.034 1.00 34.33 H new ATOM 0 HA GLN A 27 9.794 5.135 5.846 1.00 43.13 H new ATOM 0 HB2 GLN A 27 11.615 3.809 7.026 1.00 54.44 H new ATOM 0 HB3 GLN A 27 12.094 4.589 5.531 1.00 54.44 H new ATOM 0 HG2 GLN A 27 13.214 6.396 6.791 1.00 41.24 H new ATOM 0 HG3 GLN A 27 12.663 5.715 8.309 1.00 41.24 H new ATOM 0 HE21 GLN A 27 15.416 6.271 7.313 1.00 51.31 H new ATOM 0 HE22 GLN A 27 16.276 4.732 7.421 1.00 51.31 H new ATOM 426 N LEU A 28 8.449 5.394 7.943 1.00 32.10 N ATOM 427 CA LEU A 28 7.644 5.302 9.172 1.00 31.22 C ATOM 428 C LEU A 28 7.973 3.984 9.895 1.00 75.32 C ATOM 429 O LEU A 28 8.153 2.950 9.241 1.00 52.54 O ATOM 430 CB LEU A 28 6.123 5.394 8.836 1.00 65.34 C ATOM 431 CG LEU A 28 5.682 6.601 7.935 1.00 70.22 C ATOM 432 CD1 LEU A 28 4.148 6.651 7.774 1.00 62.21 C ATOM 433 CD2 LEU A 28 6.231 7.941 8.466 1.00 70.14 C ATOM 0 H LEU A 28 7.902 5.310 7.086 1.00 32.10 H new ATOM 0 HA LEU A 28 7.887 6.136 9.831 1.00 31.22 H new ATOM 0 HB2 LEU A 28 5.826 4.470 8.340 1.00 65.34 H new ATOM 0 HB3 LEU A 28 5.568 5.446 9.773 1.00 65.34 H new ATOM 0 HG LEU A 28 6.115 6.441 6.948 1.00 70.22 H new ATOM 0 HD11 LEU A 28 3.876 7.498 7.145 1.00 62.21 H new ATOM 0 HD12 LEU A 28 3.801 5.728 7.310 1.00 62.21 H new ATOM 0 HD13 LEU A 28 3.683 6.762 8.753 1.00 62.21 H new ATOM 0 HD21 LEU A 28 5.904 8.752 7.815 1.00 70.14 H new ATOM 0 HD22 LEU A 28 5.857 8.113 9.475 1.00 70.14 H new ATOM 0 HD23 LEU A 28 7.320 7.907 8.483 1.00 70.14 H new ATOM 445 N THR A 29 8.099 4.029 11.231 1.00 4.31 N ATOM 446 CA THR A 29 8.341 2.826 12.038 1.00 24.40 C ATOM 447 C THR A 29 7.073 1.972 12.031 1.00 52.15 C ATOM 448 O THR A 29 5.981 2.501 11.812 1.00 2.22 O ATOM 449 CB THR A 29 8.751 3.180 13.509 1.00 64.41 C ATOM 450 OG1 THR A 29 7.699 3.899 14.167 1.00 43.25 O ATOM 451 CG2 THR A 29 10.032 4.018 13.551 1.00 2.42 C ATOM 0 H THR A 29 8.037 4.890 11.775 1.00 4.31 H new ATOM 0 HA THR A 29 9.173 2.274 11.601 1.00 24.40 H new ATOM 0 HB THR A 29 8.933 2.238 14.027 1.00 64.41 H new ATOM 0 HG1 THR A 29 7.971 4.110 15.084 1.00 43.25 H new ATOM 0 HG21 THR A 29 10.285 4.244 14.587 1.00 2.42 H new ATOM 0 HG22 THR A 29 10.848 3.459 13.092 1.00 2.42 H new ATOM 0 HG23 THR A 29 9.876 4.948 13.004 1.00 2.42 H new ATOM 459 N ALA A 30 7.222 0.666 12.251 1.00 41.10 N ATOM 460 CA ALA A 30 6.084 -0.269 12.336 1.00 62.13 C ATOM 461 C ALA A 30 5.083 0.155 13.435 1.00 62.24 C ATOM 462 O ALA A 30 3.873 -0.056 13.293 1.00 2.52 O ATOM 463 CB ALA A 30 6.600 -1.695 12.560 1.00 75.55 C ATOM 0 H ALA A 30 8.131 0.220 12.376 1.00 41.10 H new ATOM 0 HA ALA A 30 5.540 -0.243 11.392 1.00 62.13 H new ATOM 0 HB1 ALA A 30 5.756 -2.382 12.622 1.00 75.55 H new ATOM 0 HB2 ALA A 30 7.243 -1.984 11.728 1.00 75.55 H new ATOM 0 HB3 ALA A 30 7.169 -1.734 13.489 1.00 75.55 H new ATOM 469 N ASP A 31 5.613 0.782 14.510 1.00 41.12 N ATOM 470 CA ASP A 31 4.801 1.342 15.610 1.00 35.11 C ATOM 471 C ASP A 31 4.043 2.609 15.157 1.00 70.21 C ATOM 472 O ASP A 31 2.860 2.779 15.475 1.00 74.10 O ATOM 473 CB ASP A 31 5.688 1.681 16.844 1.00 52.24 C ATOM 474 CG ASP A 31 6.323 0.443 17.500 1.00 52.22 C ATOM 475 OD1 ASP A 31 5.609 -0.310 18.195 1.00 41.24 O ATOM 476 OD2 ASP A 31 7.536 0.207 17.322 1.00 64.22 O ATOM 0 H ASP A 31 6.616 0.913 14.637 1.00 41.12 H new ATOM 0 HA ASP A 31 4.075 0.580 15.894 1.00 35.11 H new ATOM 0 HB2 ASP A 31 6.479 2.366 16.537 1.00 52.24 H new ATOM 0 HB3 ASP A 31 5.083 2.205 17.584 1.00 52.24 H new ATOM 481 N TYR A 32 4.738 3.495 14.404 1.00 4.34 N ATOM 482 CA TYR A 32 4.167 4.773 13.912 1.00 32.42 C ATOM 483 C TYR A 32 3.022 4.480 12.936 1.00 3.51 C ATOM 484 O TYR A 32 1.936 5.062 13.043 1.00 42.41 O ATOM 485 CB TYR A 32 5.264 5.626 13.208 1.00 15.01 C ATOM 486 CG TYR A 32 4.846 7.041 12.763 1.00 53.04 C ATOM 487 CD1 TYR A 32 4.185 7.263 11.547 1.00 14.22 C ATOM 488 CD2 TYR A 32 5.139 8.157 13.548 1.00 73.11 C ATOM 489 CE1 TYR A 32 3.831 8.533 11.143 1.00 24.11 C ATOM 490 CE2 TYR A 32 4.784 9.430 13.143 1.00 64.24 C ATOM 491 CZ TYR A 32 4.133 9.610 11.943 1.00 70.21 C ATOM 492 OH TYR A 32 3.788 10.881 11.538 1.00 75.13 O ATOM 0 H TYR A 32 5.707 3.345 14.121 1.00 4.34 H new ATOM 0 HA TYR A 32 3.783 5.339 14.761 1.00 32.42 H new ATOM 0 HB2 TYR A 32 6.114 5.717 13.885 1.00 15.01 H new ATOM 0 HB3 TYR A 32 5.612 5.080 12.331 1.00 15.01 H new ATOM 0 HD1 TYR A 32 3.948 6.421 10.913 1.00 14.22 H new ATOM 0 HD2 TYR A 32 5.652 8.024 14.489 1.00 73.11 H new ATOM 0 HE1 TYR A 32 3.319 8.681 10.203 1.00 24.11 H new ATOM 0 HE2 TYR A 32 5.017 10.281 13.766 1.00 64.24 H new ATOM 0 HH TYR A 32 4.071 11.529 12.217 1.00 75.13 H new ATOM 502 N PHE A 33 3.316 3.576 11.976 1.00 2.24 N ATOM 503 CA PHE A 33 2.350 3.084 10.981 1.00 73.51 C ATOM 504 C PHE A 33 1.093 2.575 11.696 1.00 32.42 C ATOM 505 O PHE A 33 -0.008 3.007 11.381 1.00 4.50 O ATOM 506 CB PHE A 33 2.967 1.927 10.127 1.00 53.13 C ATOM 507 CG PHE A 33 2.057 1.415 8.990 1.00 23.13 C ATOM 508 CD1 PHE A 33 0.937 0.613 9.244 1.00 14.43 C ATOM 509 CD2 PHE A 33 2.308 1.760 7.671 1.00 32.54 C ATOM 510 CE1 PHE A 33 0.108 0.196 8.223 1.00 3.15 C ATOM 511 CE2 PHE A 33 1.479 1.327 6.654 1.00 32.53 C ATOM 512 CZ PHE A 33 0.381 0.551 6.928 1.00 12.23 C ATOM 0 H PHE A 33 4.244 3.165 11.873 1.00 2.24 H new ATOM 0 HA PHE A 33 2.092 3.907 10.315 1.00 73.51 H new ATOM 0 HB2 PHE A 33 3.907 2.272 9.696 1.00 53.13 H new ATOM 0 HB3 PHE A 33 3.206 1.093 10.787 1.00 53.13 H new ATOM 0 HD1 PHE A 33 0.718 0.315 10.259 1.00 14.43 H new ATOM 0 HD2 PHE A 33 3.163 2.376 7.435 1.00 32.54 H new ATOM 0 HE1 PHE A 33 -0.757 -0.411 8.445 1.00 3.15 H new ATOM 0 HE2 PHE A 33 1.697 1.602 5.633 1.00 32.53 H new ATOM 0 HZ PHE A 33 -0.265 0.222 6.127 1.00 12.23 H new ATOM 522 N GLU A 34 1.314 1.636 12.649 1.00 13.35 N ATOM 523 CA GLU A 34 0.246 0.933 13.389 1.00 52.11 C ATOM 524 C GLU A 34 -0.720 1.914 14.068 1.00 50.55 C ATOM 525 O GLU A 34 -1.930 1.798 13.897 1.00 22.35 O ATOM 526 CB GLU A 34 0.870 -0.017 14.446 1.00 74.13 C ATOM 527 CG GLU A 34 -0.149 -0.850 15.240 1.00 60.14 C ATOM 528 CD GLU A 34 0.519 -1.711 16.314 1.00 32.54 C ATOM 529 OE1 GLU A 34 0.975 -2.830 15.998 1.00 22.51 O ATOM 530 OE2 GLU A 34 0.611 -1.265 17.479 1.00 42.25 O ATOM 0 H GLU A 34 2.252 1.345 12.926 1.00 13.35 H new ATOM 0 HA GLU A 34 -0.328 0.351 12.668 1.00 52.11 H new ATOM 0 HB2 GLU A 34 1.560 -0.695 13.944 1.00 74.13 H new ATOM 0 HB3 GLU A 34 1.458 0.576 15.146 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -0.873 -0.184 15.709 1.00 60.14 H new ATOM 0 HG3 GLU A 34 -0.703 -1.492 14.555 1.00 60.14 H new ATOM 537 N LYS A 35 -0.154 2.895 14.799 1.00 51.10 N ATOM 538 CA LYS A 35 -0.933 3.906 15.538 1.00 53.11 C ATOM 539 C LYS A 35 -1.802 4.735 14.574 1.00 61.12 C ATOM 540 O LYS A 35 -2.999 4.908 14.803 1.00 64.04 O ATOM 541 CB LYS A 35 0.015 4.848 16.330 1.00 22.52 C ATOM 542 CG LYS A 35 -0.707 5.947 17.151 1.00 71.22 C ATOM 543 CD LYS A 35 0.258 7.023 17.701 1.00 22.22 C ATOM 544 CE LYS A 35 0.984 7.794 16.583 1.00 53.12 C ATOM 545 NZ LYS A 35 1.925 8.807 17.134 1.00 64.30 N ATOM 0 H LYS A 35 0.855 3.008 14.893 1.00 51.10 H new ATOM 0 HA LYS A 35 -1.585 3.385 16.239 1.00 53.11 H new ATOM 0 HB2 LYS A 35 0.621 4.246 17.007 1.00 22.52 H new ATOM 0 HB3 LYS A 35 0.699 5.327 15.629 1.00 22.52 H new ATOM 0 HG2 LYS A 35 -1.458 6.427 16.524 1.00 71.22 H new ATOM 0 HG3 LYS A 35 -1.236 5.482 17.983 1.00 71.22 H new ATOM 0 HD2 LYS A 35 -0.301 7.726 18.318 1.00 22.22 H new ATOM 0 HD3 LYS A 35 0.996 6.548 18.348 1.00 22.22 H new ATOM 0 HE2 LYS A 35 1.532 7.093 15.954 1.00 53.12 H new ATOM 0 HE3 LYS A 35 0.250 8.288 15.946 1.00 53.12 H new ATOM 0 HZ1 LYS A 35 2.395 9.306 16.352 1.00 64.30 H new ATOM 0 HZ2 LYS A 35 1.398 9.491 17.714 1.00 64.30 H new ATOM 0 HZ3 LYS A 35 2.640 8.333 17.722 1.00 64.30 H new ATOM 559 N THR A 36 -1.171 5.210 13.481 1.00 70.24 N ATOM 560 CA THR A 36 -1.824 6.048 12.460 1.00 62.44 C ATOM 561 C THR A 36 -2.912 5.246 11.685 1.00 74.35 C ATOM 562 O THR A 36 -3.970 5.781 11.348 1.00 43.12 O ATOM 563 CB THR A 36 -0.754 6.643 11.473 1.00 74.41 C ATOM 564 OG1 THR A 36 0.352 7.180 12.230 1.00 71.34 O ATOM 565 CG2 THR A 36 -1.321 7.766 10.587 1.00 41.24 C ATOM 0 H THR A 36 -0.189 5.021 13.283 1.00 70.24 H new ATOM 0 HA THR A 36 -2.322 6.874 12.966 1.00 62.44 H new ATOM 0 HB THR A 36 -0.435 5.828 10.824 1.00 74.41 H new ATOM 0 HG1 THR A 36 0.946 6.450 12.504 1.00 71.34 H new ATOM 0 HG21 THR A 36 -0.538 8.139 9.926 1.00 41.24 H new ATOM 0 HG22 THR A 36 -2.145 7.377 9.989 1.00 41.24 H new ATOM 0 HG23 THR A 36 -1.682 8.579 11.217 1.00 41.24 H new ATOM 573 N TRP A 37 -2.632 3.948 11.459 1.00 5.24 N ATOM 574 CA TRP A 37 -3.529 2.991 10.783 1.00 12.12 C ATOM 575 C TRP A 37 -4.810 2.780 11.618 1.00 61.42 C ATOM 576 O TRP A 37 -5.922 2.899 11.103 1.00 14.15 O ATOM 577 CB TRP A 37 -2.751 1.655 10.542 1.00 52.53 C ATOM 578 CG TRP A 37 -3.532 0.568 9.835 1.00 15.22 C ATOM 579 CD1 TRP A 37 -4.193 -0.471 10.416 1.00 22.53 C ATOM 580 CD2 TRP A 37 -3.723 0.409 8.416 1.00 1.03 C ATOM 581 NE1 TRP A 37 -4.809 -1.233 9.461 1.00 14.42 N ATOM 582 CE2 TRP A 37 -4.526 -0.727 8.229 1.00 33.24 C ATOM 583 CE3 TRP A 37 -3.301 1.116 7.294 1.00 11.22 C ATOM 584 CZ2 TRP A 37 -4.917 -1.171 6.972 1.00 0.01 C ATOM 585 CZ3 TRP A 37 -3.690 0.680 6.042 1.00 30.13 C ATOM 586 CH2 TRP A 37 -4.488 -0.456 5.888 1.00 30.12 C ATOM 0 H TRP A 37 -1.751 3.524 11.750 1.00 5.24 H new ATOM 0 HA TRP A 37 -3.844 3.382 9.816 1.00 12.12 H new ATOM 0 HB2 TRP A 37 -1.857 1.875 9.958 1.00 52.53 H new ATOM 0 HB3 TRP A 37 -2.416 1.270 11.505 1.00 52.53 H new ATOM 0 HD1 TRP A 37 -4.226 -0.666 11.478 1.00 22.53 H new ATOM 0 HE1 TRP A 37 -5.389 -2.052 9.643 1.00 14.42 H new ATOM 0 HE3 TRP A 37 -2.679 1.992 7.400 1.00 11.22 H new ATOM 0 HZ2 TRP A 37 -5.537 -2.048 6.855 1.00 0.01 H new ATOM 0 HZ3 TRP A 37 -3.371 1.227 5.167 1.00 30.13 H new ATOM 0 HH2 TRP A 37 -4.771 -0.775 4.896 1.00 30.12 H new ATOM 597 N LEU A 38 -4.628 2.526 12.927 1.00 41.32 N ATOM 598 CA LEU A 38 -5.742 2.339 13.881 1.00 50.55 C ATOM 599 C LEU A 38 -6.505 3.668 14.096 1.00 43.24 C ATOM 600 O LEU A 38 -7.700 3.666 14.415 1.00 23.35 O ATOM 601 CB LEU A 38 -5.214 1.782 15.234 1.00 44.54 C ATOM 602 CG LEU A 38 -4.504 0.389 15.170 1.00 0.21 C ATOM 603 CD1 LEU A 38 -3.913 0.003 16.540 1.00 30.11 C ATOM 604 CD2 LEU A 38 -5.448 -0.714 14.635 1.00 3.11 C ATOM 0 H LEU A 38 -3.706 2.444 13.355 1.00 41.32 H new ATOM 0 HA LEU A 38 -6.437 1.612 13.460 1.00 50.55 H new ATOM 0 HB2 LEU A 38 -4.515 2.505 15.654 1.00 44.54 H new ATOM 0 HB3 LEU A 38 -6.052 1.709 15.927 1.00 44.54 H new ATOM 0 HG LEU A 38 -3.680 0.478 14.462 1.00 0.21 H new ATOM 0 HD11 LEU A 38 -3.426 -0.969 16.465 1.00 30.11 H new ATOM 0 HD12 LEU A 38 -3.183 0.752 16.845 1.00 30.11 H new ATOM 0 HD13 LEU A 38 -4.712 -0.047 17.280 1.00 30.11 H new ATOM 0 HD21 LEU A 38 -4.917 -1.665 14.606 1.00 3.11 H new ATOM 0 HD22 LEU A 38 -6.314 -0.802 15.291 1.00 3.11 H new ATOM 0 HD23 LEU A 38 -5.780 -0.453 13.630 1.00 3.11 H new ATOM 616 N SER A 39 -5.793 4.797 13.896 1.00 23.24 N ATOM 617 CA SER A 39 -6.349 6.153 14.054 1.00 4.02 C ATOM 618 C SER A 39 -7.166 6.589 12.820 1.00 20.12 C ATOM 619 O SER A 39 -8.054 7.443 12.924 1.00 52.22 O ATOM 620 CB SER A 39 -5.204 7.161 14.313 1.00 5.24 C ATOM 621 OG SER A 39 -5.704 8.445 14.658 1.00 15.43 O ATOM 0 H SER A 39 -4.811 4.791 13.619 1.00 23.24 H new ATOM 0 HA SER A 39 -7.027 6.137 14.907 1.00 4.02 H new ATOM 0 HB2 SER A 39 -4.567 6.790 15.116 1.00 5.24 H new ATOM 0 HB3 SER A 39 -4.580 7.240 13.423 1.00 5.24 H new ATOM 0 HG SER A 39 -4.954 9.056 14.816 1.00 15.43 H new ATOM 627 N LEU A 40 -6.875 5.991 11.651 1.00 31.32 N ATOM 628 CA LEU A 40 -7.512 6.346 10.369 1.00 33.13 C ATOM 629 C LEU A 40 -8.509 5.262 9.969 1.00 43.14 C ATOM 630 O LEU A 40 -8.499 4.148 10.506 1.00 70.40 O ATOM 631 CB LEU A 40 -6.424 6.518 9.257 1.00 73.44 C ATOM 632 CG LEU A 40 -5.558 7.811 9.296 1.00 41.22 C ATOM 633 CD1 LEU A 40 -4.363 7.715 8.318 1.00 21.12 C ATOM 634 CD2 LEU A 40 -6.420 9.044 8.988 1.00 45.53 C ATOM 0 H LEU A 40 -6.187 5.243 11.568 1.00 31.32 H new ATOM 0 HA LEU A 40 -8.044 7.290 10.485 1.00 33.13 H new ATOM 0 HB2 LEU A 40 -5.752 5.661 9.308 1.00 73.44 H new ATOM 0 HB3 LEU A 40 -6.922 6.476 8.289 1.00 73.44 H new ATOM 0 HG LEU A 40 -5.153 7.916 10.302 1.00 41.22 H new ATOM 0 HD11 LEU A 40 -3.777 8.633 8.368 1.00 21.12 H new ATOM 0 HD12 LEU A 40 -3.735 6.868 8.593 1.00 21.12 H new ATOM 0 HD13 LEU A 40 -4.734 7.576 7.303 1.00 21.12 H new ATOM 0 HD21 LEU A 40 -5.799 9.939 9.019 1.00 45.53 H new ATOM 0 HD22 LEU A 40 -6.860 8.942 7.996 1.00 45.53 H new ATOM 0 HD23 LEU A 40 -7.214 9.127 9.730 1.00 45.53 H new ATOM 646 N LYS A 41 -9.358 5.612 9.008 1.00 74.33 N ATOM 647 CA LYS A 41 -10.379 4.721 8.464 1.00 14.52 C ATOM 648 C LYS A 41 -9.999 4.324 7.023 1.00 64.15 C ATOM 649 O LYS A 41 -9.438 5.147 6.285 1.00 0.15 O ATOM 650 CB LYS A 41 -11.760 5.435 8.492 1.00 13.42 C ATOM 651 CG LYS A 41 -12.932 4.501 8.172 1.00 50.21 C ATOM 652 CD LYS A 41 -14.313 5.197 8.173 1.00 51.40 C ATOM 653 CE LYS A 41 -15.454 4.222 7.850 1.00 41.21 C ATOM 654 NZ LYS A 41 -16.773 4.902 7.753 1.00 40.04 N ATOM 0 H LYS A 41 -9.357 6.537 8.578 1.00 74.33 H new ATOM 0 HA LYS A 41 -10.443 3.817 9.070 1.00 14.52 H new ATOM 0 HB2 LYS A 41 -11.914 5.875 9.477 1.00 13.42 H new ATOM 0 HB3 LYS A 41 -11.752 6.255 7.774 1.00 13.42 H new ATOM 0 HG2 LYS A 41 -12.766 4.049 7.194 1.00 50.21 H new ATOM 0 HG3 LYS A 41 -12.945 3.690 8.900 1.00 50.21 H new ATOM 0 HD2 LYS A 41 -14.489 5.649 9.149 1.00 51.40 H new ATOM 0 HD3 LYS A 41 -14.311 6.006 7.442 1.00 51.40 H new ATOM 0 HE2 LYS A 41 -15.240 3.716 6.909 1.00 41.21 H new ATOM 0 HE3 LYS A 41 -15.501 3.454 8.622 1.00 41.21 H new ATOM 0 HZ1 LYS A 41 -17.510 4.201 7.534 1.00 40.04 H new ATOM 0 HZ2 LYS A 41 -16.993 5.364 8.659 1.00 40.04 H new ATOM 0 HZ3 LYS A 41 -16.740 5.617 6.999 1.00 40.04 H new ATOM 668 N VAL A 42 -10.294 3.060 6.647 1.00 23.04 N ATOM 669 CA VAL A 42 -10.068 2.539 5.282 1.00 34.22 C ATOM 670 C VAL A 42 -10.918 3.352 4.286 1.00 1.24 C ATOM 671 O VAL A 42 -12.145 3.420 4.422 1.00 44.43 O ATOM 672 CB VAL A 42 -10.426 0.996 5.176 1.00 23.33 C ATOM 673 CG1 VAL A 42 -10.178 0.446 3.752 1.00 52.35 C ATOM 674 CG2 VAL A 42 -9.646 0.166 6.223 1.00 41.13 C ATOM 0 H VAL A 42 -10.696 2.372 7.283 1.00 23.04 H new ATOM 0 HA VAL A 42 -9.010 2.644 5.043 1.00 34.22 H new ATOM 0 HB VAL A 42 -11.491 0.900 5.388 1.00 23.33 H new ATOM 0 HG11 VAL A 42 -10.435 -0.613 3.721 1.00 52.35 H new ATOM 0 HG12 VAL A 42 -10.797 0.991 3.039 1.00 52.35 H new ATOM 0 HG13 VAL A 42 -9.127 0.572 3.491 1.00 52.35 H new ATOM 0 HG21 VAL A 42 -9.913 -0.886 6.125 1.00 41.13 H new ATOM 0 HG22 VAL A 42 -8.575 0.286 6.058 1.00 41.13 H new ATOM 0 HG23 VAL A 42 -9.900 0.513 7.225 1.00 41.13 H new ATOM 684 N ALA A 43 -10.242 3.984 3.313 1.00 44.34 N ATOM 685 CA ALA A 43 -10.882 4.867 2.314 1.00 35.35 C ATOM 686 C ALA A 43 -11.440 4.034 1.144 1.00 54.20 C ATOM 687 O ALA A 43 -12.529 4.307 0.627 1.00 42.31 O ATOM 688 CB ALA A 43 -9.867 5.911 1.818 1.00 30.04 C ATOM 0 H ALA A 43 -9.233 3.899 3.193 1.00 44.34 H new ATOM 0 HA ALA A 43 -11.717 5.392 2.778 1.00 35.35 H new ATOM 0 HB1 ALA A 43 -10.342 6.560 1.082 1.00 30.04 H new ATOM 0 HB2 ALA A 43 -9.521 6.510 2.660 1.00 30.04 H new ATOM 0 HB3 ALA A 43 -9.018 5.404 1.360 1.00 30.04 H new ATOM 694 N HIS A 44 -10.664 3.017 0.750 1.00 35.32 N ATOM 695 CA HIS A 44 -11.014 2.063 -0.315 1.00 35.04 C ATOM 696 C HIS A 44 -10.380 0.703 0.010 1.00 2.42 C ATOM 697 O HIS A 44 -9.360 0.647 0.689 1.00 34.42 O ATOM 698 CB HIS A 44 -10.492 2.609 -1.670 1.00 14.23 C ATOM 699 CG HIS A 44 -10.649 1.691 -2.870 1.00 35.23 C ATOM 700 ND1 HIS A 44 -11.793 1.682 -3.630 1.00 34.45 N ATOM 701 CD2 HIS A 44 -9.758 0.822 -3.421 1.00 14.22 C ATOM 702 CE1 HIS A 44 -11.573 0.827 -4.613 1.00 3.45 C ATOM 703 NE2 HIS A 44 -10.355 0.281 -4.527 1.00 71.10 N ATOM 0 H HIS A 44 -9.754 2.828 1.171 1.00 35.32 H new ATOM 0 HA HIS A 44 -12.095 1.938 -0.383 1.00 35.04 H new ATOM 0 HB2 HIS A 44 -11.009 3.544 -1.884 1.00 14.23 H new ATOM 0 HB3 HIS A 44 -9.434 2.848 -1.558 1.00 14.23 H new ATOM 0 HD1 HIS A 44 -12.641 2.225 -3.468 1.00 34.45 H new ATOM 0 HD2 HIS A 44 -8.766 0.601 -3.054 1.00 14.22 H new ATOM 0 HE1 HIS A 44 -12.288 0.598 -5.389 1.00 3.45 H new ATOM 711 N GLN A 45 -10.988 -0.385 -0.474 1.00 4.35 N ATOM 712 CA GLN A 45 -10.397 -1.729 -0.390 1.00 22.41 C ATOM 713 C GLN A 45 -10.829 -2.535 -1.625 1.00 41.53 C ATOM 714 O GLN A 45 -12.028 -2.692 -1.878 1.00 12.21 O ATOM 715 CB GLN A 45 -10.799 -2.446 0.928 1.00 73.21 C ATOM 716 CG GLN A 45 -10.128 -3.827 1.125 1.00 53.22 C ATOM 717 CD GLN A 45 -10.387 -4.458 2.499 1.00 20.21 C ATOM 718 OE1 GLN A 45 -11.434 -4.256 3.113 1.00 15.44 O ATOM 719 NE2 GLN A 45 -9.423 -5.213 3.007 1.00 2.35 N ATOM 0 H GLN A 45 -11.899 -0.362 -0.933 1.00 4.35 H new ATOM 0 HA GLN A 45 -9.310 -1.646 -0.376 1.00 22.41 H new ATOM 0 HB2 GLN A 45 -10.541 -1.805 1.771 1.00 73.21 H new ATOM 0 HB3 GLN A 45 -11.881 -2.574 0.944 1.00 73.21 H new ATOM 0 HG2 GLN A 45 -10.486 -4.507 0.352 1.00 53.22 H new ATOM 0 HG3 GLN A 45 -9.053 -3.720 0.983 1.00 53.22 H new ATOM 0 HE21 GLN A 45 -8.564 -5.366 2.479 1.00 2.35 H new ATOM 0 HE22 GLN A 45 -9.541 -5.641 3.926 1.00 2.35 H new ATOM 728 N GLN A 46 -9.839 -3.034 -2.381 1.00 35.20 N ATOM 729 CA GLN A 46 -10.042 -3.712 -3.672 1.00 74.25 C ATOM 730 C GLN A 46 -9.349 -5.083 -3.641 1.00 71.42 C ATOM 731 O GLN A 46 -8.197 -5.179 -3.227 1.00 3.02 O ATOM 732 CB GLN A 46 -9.451 -2.832 -4.800 1.00 31.43 C ATOM 733 CG GLN A 46 -9.657 -3.373 -6.227 1.00 14.53 C ATOM 734 CD GLN A 46 -9.122 -2.425 -7.306 1.00 62.41 C ATOM 735 OE1 GLN A 46 -9.078 -1.208 -7.119 1.00 71.11 O ATOM 736 NE2 GLN A 46 -8.750 -2.963 -8.453 1.00 61.55 N ATOM 0 H GLN A 46 -8.858 -2.977 -2.108 1.00 35.20 H new ATOM 0 HA GLN A 46 -11.106 -3.862 -3.856 1.00 74.25 H new ATOM 0 HB2 GLN A 46 -9.897 -1.839 -4.737 1.00 31.43 H new ATOM 0 HB3 GLN A 46 -8.382 -2.713 -4.624 1.00 31.43 H new ATOM 0 HG2 GLN A 46 -9.160 -4.339 -6.320 1.00 14.53 H new ATOM 0 HG3 GLN A 46 -10.720 -3.544 -6.395 1.00 14.53 H new ATOM 0 HE21 GLN A 46 -8.797 -3.974 -8.581 1.00 61.55 H new ATOM 0 HE22 GLN A 46 -8.416 -2.368 -9.211 1.00 61.55 H new ATOM 745 N VAL A 47 -10.061 -6.133 -4.064 1.00 32.31 N ATOM 746 CA VAL A 47 -9.523 -7.509 -4.120 1.00 45.43 C ATOM 747 C VAL A 47 -9.125 -7.834 -5.574 1.00 30.42 C ATOM 748 O VAL A 47 -9.906 -7.579 -6.496 1.00 34.34 O ATOM 749 CB VAL A 47 -10.587 -8.550 -3.593 1.00 41.31 C ATOM 750 CG1 VAL A 47 -9.997 -9.976 -3.510 1.00 20.42 C ATOM 751 CG2 VAL A 47 -11.160 -8.109 -2.226 1.00 2.15 C ATOM 0 H VAL A 47 -11.028 -6.059 -4.379 1.00 32.31 H new ATOM 0 HA VAL A 47 -8.645 -7.577 -3.477 1.00 45.43 H new ATOM 0 HB VAL A 47 -11.404 -8.576 -4.314 1.00 41.31 H new ATOM 0 HG11 VAL A 47 -10.759 -10.664 -3.143 1.00 20.42 H new ATOM 0 HG12 VAL A 47 -9.669 -10.292 -4.500 1.00 20.42 H new ATOM 0 HG13 VAL A 47 -9.147 -9.979 -2.828 1.00 20.42 H new ATOM 0 HG21 VAL A 47 -11.891 -8.842 -1.884 1.00 2.15 H new ATOM 0 HG22 VAL A 47 -10.351 -8.036 -1.499 1.00 2.15 H new ATOM 0 HG23 VAL A 47 -11.643 -7.137 -2.330 1.00 2.15 H new ATOM 761 N LEU A 48 -7.904 -8.376 -5.769 1.00 14.23 N ATOM 762 CA LEU A 48 -7.349 -8.724 -7.096 1.00 15.33 C ATOM 763 C LEU A 48 -6.924 -10.214 -7.113 1.00 74.11 C ATOM 764 O LEU A 48 -6.194 -10.642 -6.211 1.00 14.23 O ATOM 765 CB LEU A 48 -6.118 -7.824 -7.427 1.00 21.44 C ATOM 766 CG LEU A 48 -6.408 -6.309 -7.647 1.00 70.31 C ATOM 767 CD1 LEU A 48 -5.115 -5.534 -7.975 1.00 32.02 C ATOM 768 CD2 LEU A 48 -7.469 -6.104 -8.746 1.00 34.52 C ATOM 0 H LEU A 48 -7.268 -8.587 -5.000 1.00 14.23 H new ATOM 0 HA LEU A 48 -8.119 -8.557 -7.849 1.00 15.33 H new ATOM 0 HB2 LEU A 48 -5.397 -7.920 -6.616 1.00 21.44 H new ATOM 0 HB3 LEU A 48 -5.641 -8.215 -8.326 1.00 21.44 H new ATOM 0 HG LEU A 48 -6.807 -5.909 -6.715 1.00 70.31 H new ATOM 0 HD11 LEU A 48 -5.350 -4.480 -8.123 1.00 32.02 H new ATOM 0 HD12 LEU A 48 -4.410 -5.636 -7.150 1.00 32.02 H new ATOM 0 HD13 LEU A 48 -4.670 -5.938 -8.884 1.00 32.02 H new ATOM 0 HD21 LEU A 48 -7.653 -5.038 -8.880 1.00 34.52 H new ATOM 0 HD22 LEU A 48 -7.110 -6.531 -9.683 1.00 34.52 H new ATOM 0 HD23 LEU A 48 -8.396 -6.598 -8.454 1.00 34.52 H new ATOM 780 N PRO A 49 -7.362 -11.025 -8.131 1.00 4.41 N ATOM 781 CA PRO A 49 -6.936 -12.443 -8.274 1.00 41.11 C ATOM 782 C PRO A 49 -5.445 -12.563 -8.687 1.00 75.04 C ATOM 783 O PRO A 49 -4.950 -11.779 -9.514 1.00 64.23 O ATOM 784 CB PRO A 49 -7.887 -12.988 -9.377 1.00 15.12 C ATOM 785 CG PRO A 49 -8.249 -11.787 -10.194 1.00 14.42 C ATOM 786 CD PRO A 49 -8.305 -10.630 -9.215 1.00 0.13 C ATOM 0 HA PRO A 49 -7.003 -13.001 -7.340 1.00 41.11 H new ATOM 0 HB2 PRO A 49 -7.394 -13.747 -9.985 1.00 15.12 H new ATOM 0 HB3 PRO A 49 -8.772 -13.453 -8.943 1.00 15.12 H new ATOM 0 HG2 PRO A 49 -7.509 -11.606 -10.973 1.00 14.42 H new ATOM 0 HG3 PRO A 49 -9.209 -11.926 -10.692 1.00 14.42 H new ATOM 0 HD2 PRO A 49 -8.002 -9.695 -9.686 1.00 0.13 H new ATOM 0 HD3 PRO A 49 -9.314 -10.481 -8.831 1.00 0.13 H new ATOM 794 N TRP A 50 -4.742 -13.546 -8.099 1.00 1.43 N ATOM 795 CA TRP A 50 -3.327 -13.822 -8.400 1.00 43.35 C ATOM 796 C TRP A 50 -3.219 -15.262 -8.933 1.00 72.14 C ATOM 797 O TRP A 50 -3.993 -16.134 -8.532 1.00 72.43 O ATOM 798 CB TRP A 50 -2.458 -13.618 -7.122 1.00 24.41 C ATOM 799 CG TRP A 50 -0.978 -13.437 -7.410 1.00 53.12 C ATOM 800 CD1 TRP A 50 -0.038 -14.415 -7.597 1.00 41.12 C ATOM 801 CD2 TRP A 50 -0.277 -12.188 -7.545 1.00 33.22 C ATOM 802 NE1 TRP A 50 1.182 -13.846 -7.871 1.00 63.52 N ATOM 803 CE2 TRP A 50 1.064 -12.486 -7.833 1.00 31.12 C ATOM 804 CE3 TRP A 50 -0.661 -10.844 -7.454 1.00 53.03 C ATOM 805 CZ2 TRP A 50 2.023 -11.499 -8.034 1.00 61.04 C ATOM 806 CZ3 TRP A 50 0.294 -9.862 -7.650 1.00 24.40 C ATOM 807 CH2 TRP A 50 1.621 -10.194 -7.937 1.00 22.41 C ATOM 0 H TRP A 50 -5.140 -14.173 -7.400 1.00 1.43 H new ATOM 0 HA TRP A 50 -2.955 -13.132 -9.158 1.00 43.35 H new ATOM 0 HB2 TRP A 50 -2.823 -12.745 -6.581 1.00 24.41 H new ATOM 0 HB3 TRP A 50 -2.588 -14.477 -6.464 1.00 24.41 H new ATOM 0 HD1 TRP A 50 -0.228 -15.477 -7.538 1.00 41.12 H new ATOM 0 HE1 TRP A 50 2.041 -14.359 -8.071 1.00 63.52 H new ATOM 0 HE3 TRP A 50 -1.685 -10.579 -7.235 1.00 53.03 H new ATOM 0 HZ2 TRP A 50 3.048 -11.753 -8.259 1.00 61.04 H new ATOM 0 HZ3 TRP A 50 0.009 -8.823 -7.580 1.00 24.40 H new ATOM 0 HH2 TRP A 50 2.344 -9.405 -8.085 1.00 22.41 H new ATOM 818 N ARG A 51 -2.306 -15.497 -9.880 1.00 72.44 N ATOM 819 CA ARG A 51 -2.079 -16.832 -10.480 1.00 22.11 C ATOM 820 C ARG A 51 -0.580 -17.137 -10.450 1.00 31.24 C ATOM 821 O ARG A 51 0.243 -16.216 -10.361 1.00 31.32 O ATOM 822 CB ARG A 51 -2.604 -16.927 -11.949 1.00 43.35 C ATOM 823 CG ARG A 51 -4.111 -16.596 -12.167 1.00 72.42 C ATOM 824 CD ARG A 51 -4.412 -15.077 -12.215 1.00 35.21 C ATOM 825 NE ARG A 51 -5.821 -14.767 -12.497 1.00 54.33 N ATOM 826 CZ ARG A 51 -6.225 -13.742 -13.253 1.00 2.43 C ATOM 827 NH1 ARG A 51 -5.348 -12.920 -13.812 1.00 2.25 N ATOM 828 NH2 ARG A 51 -7.509 -13.530 -13.434 1.00 62.15 N ATOM 0 H ARG A 51 -1.698 -14.771 -10.259 1.00 72.44 H new ATOM 0 HA ARG A 51 -2.637 -17.562 -9.894 1.00 22.11 H new ATOM 0 HB2 ARG A 51 -2.013 -16.252 -12.568 1.00 43.35 H new ATOM 0 HB3 ARG A 51 -2.420 -17.938 -12.313 1.00 43.35 H new ATOM 0 HG2 ARG A 51 -4.444 -17.053 -13.099 1.00 72.42 H new ATOM 0 HG3 ARG A 51 -4.693 -17.048 -11.364 1.00 72.42 H new ATOM 0 HD2 ARG A 51 -4.134 -14.629 -11.261 1.00 35.21 H new ATOM 0 HD3 ARG A 51 -3.787 -14.615 -12.979 1.00 35.21 H new ATOM 0 HE ARG A 51 -6.535 -15.372 -12.090 1.00 54.33 H new ATOM 0 HH11 ARG A 51 -4.349 -13.065 -13.668 1.00 2.25 H new ATOM 0 HH12 ARG A 51 -5.672 -12.142 -14.386 1.00 2.25 H new ATOM 0 HH21 ARG A 51 -8.194 -14.147 -12.998 1.00 62.15 H new ATOM 0 HH22 ARG A 51 -7.821 -12.748 -14.011 1.00 62.15 H new ATOM 842 N GLY A 52 -0.242 -18.432 -10.547 1.00 33.41 N ATOM 843 CA GLY A 52 1.146 -18.880 -10.476 1.00 74.11 C ATOM 844 C GLY A 52 1.754 -18.670 -9.089 1.00 23.14 C ATOM 845 O GLY A 52 1.153 -19.072 -8.080 1.00 40.35 O ATOM 0 H GLY A 52 -0.918 -19.185 -10.675 1.00 33.41 H new ATOM 0 HA2 GLY A 52 1.198 -19.937 -10.737 1.00 74.11 H new ATOM 0 HA3 GLY A 52 1.738 -18.340 -11.215 1.00 74.11 H new ATOM 849 N GLU A 53 2.931 -18.032 -9.047 1.00 74.01 N ATOM 850 CA GLU A 53 3.684 -17.759 -7.812 1.00 24.23 C ATOM 851 C GLU A 53 3.763 -16.239 -7.587 1.00 55.01 C ATOM 852 O GLU A 53 3.765 -15.455 -8.547 1.00 2.10 O ATOM 853 CB GLU A 53 5.100 -18.378 -7.941 1.00 32.14 C ATOM 854 CG GLU A 53 5.093 -19.902 -8.205 1.00 3.13 C ATOM 855 CD GLU A 53 6.481 -20.484 -8.508 1.00 41.13 C ATOM 856 OE1 GLU A 53 7.133 -20.002 -9.457 1.00 41.11 O ATOM 857 OE2 GLU A 53 6.917 -21.439 -7.830 1.00 25.13 O ATOM 0 H GLU A 53 3.397 -17.684 -9.885 1.00 74.01 H new ATOM 0 HA GLU A 53 3.183 -18.205 -6.953 1.00 24.23 H new ATOM 0 HB2 GLU A 53 5.631 -17.881 -8.752 1.00 32.14 H new ATOM 0 HB3 GLU A 53 5.658 -18.180 -7.026 1.00 32.14 H new ATOM 0 HG2 GLU A 53 4.678 -20.410 -7.335 1.00 3.13 H new ATOM 0 HG3 GLU A 53 4.430 -20.113 -9.044 1.00 3.13 H new ATOM 864 N PHE A 54 3.807 -15.833 -6.313 1.00 33.31 N ATOM 865 CA PHE A 54 3.887 -14.420 -5.913 1.00 51.12 C ATOM 866 C PHE A 54 5.357 -13.949 -5.872 1.00 75.00 C ATOM 867 O PHE A 54 6.256 -14.734 -5.572 1.00 11.13 O ATOM 868 CB PHE A 54 3.199 -14.201 -4.537 1.00 35.34 C ATOM 869 CG PHE A 54 3.279 -12.759 -4.058 1.00 43.02 C ATOM 870 CD1 PHE A 54 2.499 -11.775 -4.651 1.00 41.02 C ATOM 871 CD2 PHE A 54 4.181 -12.377 -3.074 1.00 40.45 C ATOM 872 CE1 PHE A 54 2.612 -10.456 -4.275 1.00 74.42 C ATOM 873 CE2 PHE A 54 4.297 -11.062 -2.714 1.00 23.43 C ATOM 874 CZ PHE A 54 3.515 -10.102 -3.313 1.00 13.14 C ATOM 0 H PHE A 54 3.788 -16.479 -5.524 1.00 33.31 H new ATOM 0 HA PHE A 54 3.359 -13.822 -6.656 1.00 51.12 H new ATOM 0 HB2 PHE A 54 2.152 -14.497 -4.608 1.00 35.34 H new ATOM 0 HB3 PHE A 54 3.664 -14.851 -3.796 1.00 35.34 H new ATOM 0 HD1 PHE A 54 1.792 -12.049 -5.420 1.00 41.02 H new ATOM 0 HD2 PHE A 54 4.795 -13.122 -2.590 1.00 40.45 H new ATOM 0 HE1 PHE A 54 1.990 -9.704 -4.738 1.00 74.42 H new ATOM 0 HE2 PHE A 54 5.008 -10.776 -1.953 1.00 23.43 H new ATOM 0 HZ PHE A 54 3.615 -9.067 -3.022 1.00 13.14 H new ATOM 884 N HIS A 55 5.577 -12.650 -6.185 1.00 15.34 N ATOM 885 CA HIS A 55 6.921 -12.020 -6.233 1.00 43.20 C ATOM 886 C HIS A 55 6.982 -10.757 -5.323 1.00 71.42 C ATOM 887 O HIS A 55 6.581 -9.666 -5.758 1.00 3.44 O ATOM 888 CB HIS A 55 7.271 -11.672 -7.709 1.00 12.30 C ATOM 889 CG HIS A 55 7.586 -12.880 -8.555 1.00 14.31 C ATOM 890 ND1 HIS A 55 8.859 -13.180 -8.976 1.00 52.44 N ATOM 891 CD2 HIS A 55 6.794 -13.863 -9.050 1.00 25.22 C ATOM 892 CE1 HIS A 55 8.838 -14.290 -9.683 1.00 50.04 C ATOM 893 NE2 HIS A 55 7.602 -14.725 -9.742 1.00 62.04 N ATOM 0 H HIS A 55 4.822 -12.004 -6.413 1.00 15.34 H new ATOM 0 HA HIS A 55 7.660 -12.724 -5.850 1.00 43.20 H new ATOM 0 HB2 HIS A 55 6.434 -11.134 -8.155 1.00 12.30 H new ATOM 0 HB3 HIS A 55 8.127 -10.997 -7.721 1.00 12.30 H new ATOM 0 HD2 HIS A 55 5.725 -13.950 -8.922 1.00 25.22 H new ATOM 0 HE1 HIS A 55 9.695 -14.763 -10.138 1.00 50.04 H new ATOM 0 HE2 HIS A 55 7.293 -15.569 -10.225 1.00 62.04 H new ATOM 902 N PRO A 56 7.470 -10.891 -4.034 1.00 43.35 N ATOM 903 CA PRO A 56 7.542 -9.756 -3.070 1.00 23.54 C ATOM 904 C PRO A 56 8.646 -8.750 -3.420 1.00 4.41 C ATOM 905 O PRO A 56 8.465 -7.544 -3.240 1.00 34.30 O ATOM 906 CB PRO A 56 7.805 -10.454 -1.709 1.00 12.20 C ATOM 907 CG PRO A 56 8.520 -11.724 -2.060 1.00 15.24 C ATOM 908 CD PRO A 56 7.975 -12.154 -3.413 1.00 2.41 C ATOM 0 HA PRO A 56 6.632 -9.155 -3.072 1.00 23.54 H new ATOM 0 HB2 PRO A 56 8.410 -9.828 -1.054 1.00 12.20 H new ATOM 0 HB3 PRO A 56 6.873 -10.658 -1.183 1.00 12.20 H new ATOM 0 HG2 PRO A 56 9.597 -11.565 -2.106 1.00 15.24 H new ATOM 0 HG3 PRO A 56 8.343 -12.492 -1.307 1.00 15.24 H new ATOM 0 HD2 PRO A 56 8.751 -12.614 -4.025 1.00 2.41 H new ATOM 0 HD3 PRO A 56 7.177 -12.889 -3.304 1.00 2.41 H new ATOM 916 N ASP A 57 9.784 -9.270 -3.917 1.00 74.24 N ATOM 917 CA ASP A 57 10.956 -8.459 -4.300 1.00 40.44 C ATOM 918 C ASP A 57 10.617 -7.571 -5.503 1.00 4.33 C ATOM 919 O ASP A 57 10.926 -6.381 -5.509 1.00 23.51 O ATOM 920 CB ASP A 57 12.169 -9.362 -4.648 1.00 4.30 C ATOM 921 CG ASP A 57 12.527 -10.346 -3.528 1.00 74.23 C ATOM 922 OD1 ASP A 57 11.851 -11.394 -3.415 1.00 72.24 O ATOM 923 OD2 ASP A 57 13.478 -10.084 -2.762 1.00 22.51 O ATOM 0 H ASP A 57 9.917 -10.270 -4.065 1.00 74.24 H new ATOM 0 HA ASP A 57 11.221 -7.832 -3.449 1.00 40.44 H new ATOM 0 HB2 ASP A 57 11.949 -9.921 -5.558 1.00 4.30 H new ATOM 0 HB3 ASP A 57 13.033 -8.733 -4.861 1.00 4.30 H new ATOM 928 N THR A 58 9.945 -8.183 -6.495 1.00 12.25 N ATOM 929 CA THR A 58 9.544 -7.520 -7.739 1.00 40.45 C ATOM 930 C THR A 58 8.530 -6.401 -7.425 1.00 55.43 C ATOM 931 O THR A 58 8.683 -5.258 -7.875 1.00 31.03 O ATOM 932 CB THR A 58 8.938 -8.569 -8.738 1.00 72.41 C ATOM 933 OG1 THR A 58 9.835 -9.693 -8.856 1.00 2.15 O ATOM 934 CG2 THR A 58 8.691 -7.978 -10.138 1.00 13.51 C ATOM 0 H THR A 58 9.664 -9.163 -6.450 1.00 12.25 H new ATOM 0 HA THR A 58 10.418 -7.072 -8.212 1.00 40.45 H new ATOM 0 HB THR A 58 7.974 -8.879 -8.334 1.00 72.41 H new ATOM 0 HG1 THR A 58 9.457 -10.349 -9.478 1.00 2.15 H new ATOM 0 HG21 THR A 58 8.272 -8.746 -10.788 1.00 13.51 H new ATOM 0 HG22 THR A 58 7.992 -7.145 -10.063 1.00 13.51 H new ATOM 0 HG23 THR A 58 9.634 -7.624 -10.555 1.00 13.51 H new ATOM 942 N LEU A 59 7.525 -6.751 -6.588 1.00 34.22 N ATOM 943 CA LEU A 59 6.486 -5.809 -6.143 1.00 32.12 C ATOM 944 C LEU A 59 7.114 -4.610 -5.396 1.00 74.00 C ATOM 945 O LEU A 59 6.820 -3.465 -5.719 1.00 52.14 O ATOM 946 CB LEU A 59 5.441 -6.535 -5.248 1.00 33.34 C ATOM 947 CG LEU A 59 4.185 -5.698 -4.841 1.00 34.14 C ATOM 948 CD1 LEU A 59 3.365 -5.252 -6.078 1.00 31.43 C ATOM 949 CD2 LEU A 59 3.309 -6.473 -3.838 1.00 55.22 C ATOM 0 H LEU A 59 7.417 -7.691 -6.207 1.00 34.22 H new ATOM 0 HA LEU A 59 5.973 -5.423 -7.024 1.00 32.12 H new ATOM 0 HB2 LEU A 59 5.103 -7.429 -5.772 1.00 33.34 H new ATOM 0 HB3 LEU A 59 5.941 -6.868 -4.338 1.00 33.34 H new ATOM 0 HG LEU A 59 4.540 -4.792 -4.349 1.00 34.14 H new ATOM 0 HD11 LEU A 59 2.501 -4.673 -5.752 1.00 31.43 H new ATOM 0 HD12 LEU A 59 3.990 -4.638 -6.726 1.00 31.43 H new ATOM 0 HD13 LEU A 59 3.027 -6.131 -6.627 1.00 31.43 H new ATOM 0 HD21 LEU A 59 2.442 -5.870 -3.570 1.00 55.22 H new ATOM 0 HD22 LEU A 59 2.976 -7.406 -4.291 1.00 55.22 H new ATOM 0 HD23 LEU A 59 3.889 -6.692 -2.942 1.00 55.22 H new ATOM 961 N GLN A 60 8.040 -4.911 -4.459 1.00 4.31 N ATOM 962 CA GLN A 60 8.687 -3.913 -3.570 1.00 34.45 C ATOM 963 C GLN A 60 9.547 -2.916 -4.369 1.00 51.33 C ATOM 964 O GLN A 60 9.555 -1.714 -4.071 1.00 61.42 O ATOM 965 CB GLN A 60 9.547 -4.649 -2.499 1.00 71.12 C ATOM 966 CG GLN A 60 10.162 -3.753 -1.381 1.00 3.44 C ATOM 967 CD GLN A 60 11.667 -3.456 -1.545 1.00 54.22 C ATOM 968 OE1 GLN A 60 12.198 -3.428 -2.658 1.00 3.42 O ATOM 969 NE2 GLN A 60 12.362 -3.214 -0.435 1.00 14.24 N ATOM 0 H GLN A 60 8.365 -5.864 -4.295 1.00 4.31 H new ATOM 0 HA GLN A 60 7.906 -3.338 -3.072 1.00 34.45 H new ATOM 0 HB2 GLN A 60 8.928 -5.411 -2.026 1.00 71.12 H new ATOM 0 HB3 GLN A 60 10.359 -5.168 -3.008 1.00 71.12 H new ATOM 0 HG2 GLN A 60 9.620 -2.808 -1.354 1.00 3.44 H new ATOM 0 HG3 GLN A 60 10.005 -4.239 -0.418 1.00 3.44 H new ATOM 0 HE21 GLN A 60 11.899 -3.243 0.473 1.00 14.24 H new ATOM 0 HE22 GLN A 60 13.357 -2.999 -0.493 1.00 14.24 H new ATOM 978 N MET A 61 10.285 -3.438 -5.375 1.00 53.45 N ATOM 979 CA MET A 61 11.123 -2.614 -6.272 1.00 10.41 C ATOM 980 C MET A 61 10.260 -1.655 -7.106 1.00 74.22 C ATOM 981 O MET A 61 10.614 -0.488 -7.288 1.00 3.51 O ATOM 982 CB MET A 61 11.983 -3.505 -7.213 1.00 21.42 C ATOM 983 CG MET A 61 13.092 -4.293 -6.515 1.00 31.12 C ATOM 984 SD MET A 61 13.959 -5.387 -7.662 1.00 71.20 S ATOM 985 CE MET A 61 15.163 -6.158 -6.586 1.00 43.11 C ATOM 0 H MET A 61 10.316 -4.435 -5.586 1.00 53.45 H new ATOM 0 HA MET A 61 11.792 -2.026 -5.643 1.00 10.41 H new ATOM 0 HB2 MET A 61 11.326 -4.207 -7.726 1.00 21.42 H new ATOM 0 HB3 MET A 61 12.433 -2.872 -7.978 1.00 21.42 H new ATOM 0 HG2 MET A 61 13.803 -3.600 -6.066 1.00 31.12 H new ATOM 0 HG3 MET A 61 12.664 -4.882 -5.704 1.00 31.12 H new ATOM 0 HE1 MET A 61 15.769 -6.859 -7.161 1.00 43.11 H new ATOM 0 HE2 MET A 61 15.807 -5.392 -6.153 1.00 43.11 H new ATOM 0 HE3 MET A 61 14.648 -6.693 -5.788 1.00 43.11 H new ATOM 995 N ALA A 62 9.106 -2.162 -7.584 1.00 21.33 N ATOM 996 CA ALA A 62 8.162 -1.371 -8.389 1.00 74.55 C ATOM 997 C ALA A 62 7.504 -0.274 -7.523 1.00 11.04 C ATOM 998 O ALA A 62 7.341 0.865 -7.972 1.00 42.43 O ATOM 999 CB ALA A 62 7.106 -2.286 -9.028 1.00 15.34 C ATOM 0 H ALA A 62 8.806 -3.124 -7.423 1.00 21.33 H new ATOM 0 HA ALA A 62 8.710 -0.880 -9.193 1.00 74.55 H new ATOM 0 HB1 ALA A 62 6.415 -1.686 -9.620 1.00 15.34 H new ATOM 0 HB2 ALA A 62 7.598 -3.015 -9.672 1.00 15.34 H new ATOM 0 HB3 ALA A 62 6.555 -2.807 -8.245 1.00 15.34 H new ATOM 1005 N LEU A 63 7.182 -0.632 -6.257 1.00 21.11 N ATOM 1006 CA LEU A 63 6.629 0.298 -5.250 1.00 34.53 C ATOM 1007 C LEU A 63 7.598 1.476 -5.016 1.00 31.22 C ATOM 1008 O LEU A 63 7.183 2.633 -4.992 1.00 73.13 O ATOM 1009 CB LEU A 63 6.347 -0.456 -3.911 1.00 41.24 C ATOM 1010 CG LEU A 63 5.184 -1.504 -3.956 1.00 60.51 C ATOM 1011 CD1 LEU A 63 5.206 -2.431 -2.722 1.00 42.41 C ATOM 1012 CD2 LEU A 63 3.809 -0.815 -4.122 1.00 4.11 C ATOM 0 H LEU A 63 7.301 -1.582 -5.906 1.00 21.11 H new ATOM 0 HA LEU A 63 5.687 0.698 -5.625 1.00 34.53 H new ATOM 0 HB2 LEU A 63 7.260 -0.966 -3.603 1.00 41.24 H new ATOM 0 HB3 LEU A 63 6.118 0.281 -3.141 1.00 41.24 H new ATOM 0 HG LEU A 63 5.345 -2.130 -4.834 1.00 60.51 H new ATOM 0 HD11 LEU A 63 4.385 -3.145 -2.788 1.00 42.41 H new ATOM 0 HD12 LEU A 63 6.153 -2.970 -2.688 1.00 42.41 H new ATOM 0 HD13 LEU A 63 5.096 -1.834 -1.817 1.00 42.41 H new ATOM 0 HD21 LEU A 63 3.024 -1.571 -4.150 1.00 4.11 H new ATOM 0 HD22 LEU A 63 3.635 -0.142 -3.282 1.00 4.11 H new ATOM 0 HD23 LEU A 63 3.797 -0.246 -5.051 1.00 4.11 H new ATOM 1024 N GLN A 64 8.894 1.149 -4.885 1.00 11.01 N ATOM 1025 CA GLN A 64 9.986 2.134 -4.747 1.00 23.10 C ATOM 1026 C GLN A 64 10.011 3.151 -5.919 1.00 50.51 C ATOM 1027 O GLN A 64 10.194 4.359 -5.687 1.00 40.21 O ATOM 1028 CB GLN A 64 11.350 1.392 -4.641 1.00 25.05 C ATOM 1029 CG GLN A 64 12.566 2.307 -4.367 1.00 71.04 C ATOM 1030 CD GLN A 64 12.487 3.066 -3.033 1.00 63.21 C ATOM 1031 OE1 GLN A 64 11.946 2.572 -2.037 1.00 1.33 O ATOM 1032 NE2 GLN A 64 13.000 4.284 -3.009 1.00 72.41 N ATOM 0 H GLN A 64 9.220 0.182 -4.871 1.00 11.01 H new ATOM 0 HA GLN A 64 9.807 2.704 -3.835 1.00 23.10 H new ATOM 0 HB2 GLN A 64 11.284 0.651 -3.844 1.00 25.05 H new ATOM 0 HB3 GLN A 64 11.525 0.847 -5.569 1.00 25.05 H new ATOM 0 HG2 GLN A 64 13.473 1.702 -4.376 1.00 71.04 H new ATOM 0 HG3 GLN A 64 12.656 3.028 -5.179 1.00 71.04 H new ATOM 0 HE21 GLN A 64 13.441 4.668 -3.845 1.00 72.41 H new ATOM 0 HE22 GLN A 64 12.955 4.840 -2.155 1.00 72.41 H new ATOM 1041 N VAL A 65 9.770 2.661 -7.165 1.00 71.44 N ATOM 1042 CA VAL A 65 9.777 3.503 -8.390 1.00 1.22 C ATOM 1043 C VAL A 65 8.677 4.592 -8.334 1.00 14.03 C ATOM 1044 O VAL A 65 8.863 5.713 -8.833 1.00 11.14 O ATOM 1045 CB VAL A 65 9.610 2.621 -9.694 1.00 64.34 C ATOM 1046 CG1 VAL A 65 9.534 3.482 -10.983 1.00 73.11 C ATOM 1047 CG2 VAL A 65 10.747 1.570 -9.806 1.00 34.03 C ATOM 0 H VAL A 65 9.567 1.678 -7.347 1.00 71.44 H new ATOM 0 HA VAL A 65 10.746 4.000 -8.433 1.00 1.22 H new ATOM 0 HB VAL A 65 8.659 2.097 -9.599 1.00 64.34 H new ATOM 0 HG11 VAL A 65 9.420 2.831 -11.849 1.00 73.11 H new ATOM 0 HG12 VAL A 65 8.680 4.156 -10.920 1.00 73.11 H new ATOM 0 HG13 VAL A 65 10.449 4.065 -11.086 1.00 73.11 H new ATOM 0 HG21 VAL A 65 10.608 0.978 -10.711 1.00 34.03 H new ATOM 0 HG22 VAL A 65 11.710 2.079 -9.850 1.00 34.03 H new ATOM 0 HG23 VAL A 65 10.723 0.914 -8.936 1.00 34.03 H new ATOM 1057 N VAL A 66 7.556 4.269 -7.672 1.00 23.25 N ATOM 1058 CA VAL A 66 6.385 5.163 -7.575 1.00 34.40 C ATOM 1059 C VAL A 66 6.258 5.789 -6.160 1.00 62.22 C ATOM 1060 O VAL A 66 5.188 6.298 -5.795 1.00 11.40 O ATOM 1061 CB VAL A 66 5.078 4.392 -7.992 1.00 12.54 C ATOM 1062 CG1 VAL A 66 5.121 4.010 -9.493 1.00 0.12 C ATOM 1063 CG2 VAL A 66 4.858 3.141 -7.111 1.00 3.43 C ATOM 0 H VAL A 66 7.432 3.380 -7.187 1.00 23.25 H new ATOM 0 HA VAL A 66 6.528 5.991 -8.270 1.00 34.40 H new ATOM 0 HB VAL A 66 4.232 5.061 -7.834 1.00 12.54 H new ATOM 0 HG11 VAL A 66 4.208 3.478 -9.759 1.00 0.12 H new ATOM 0 HG12 VAL A 66 5.203 4.914 -10.096 1.00 0.12 H new ATOM 0 HG13 VAL A 66 5.982 3.369 -9.681 1.00 0.12 H new ATOM 0 HG21 VAL A 66 3.947 2.631 -7.425 1.00 3.43 H new ATOM 0 HG22 VAL A 66 5.707 2.466 -7.219 1.00 3.43 H new ATOM 0 HG23 VAL A 66 4.764 3.443 -6.068 1.00 3.43 H new ATOM 1073 N ASN A 67 7.383 5.762 -5.394 1.00 45.54 N ATOM 1074 CA ASN A 67 7.536 6.468 -4.088 1.00 31.14 C ATOM 1075 C ASN A 67 6.606 5.916 -2.993 1.00 22.45 C ATOM 1076 O ASN A 67 6.179 6.641 -2.086 1.00 64.14 O ATOM 1077 CB ASN A 67 7.365 8.013 -4.257 1.00 31.32 C ATOM 1078 CG ASN A 67 8.471 8.642 -5.108 1.00 14.32 C ATOM 1079 OD1 ASN A 67 9.613 8.177 -5.115 1.00 14.23 O ATOM 1080 ND2 ASN A 67 8.153 9.705 -5.830 1.00 61.13 N ATOM 0 H ASN A 67 8.218 5.245 -5.667 1.00 45.54 H new ATOM 0 HA ASN A 67 8.554 6.273 -3.749 1.00 31.14 H new ATOM 0 HB2 ASN A 67 6.398 8.219 -4.716 1.00 31.32 H new ATOM 0 HB3 ASN A 67 7.358 8.483 -3.274 1.00 31.32 H new ATOM 0 HD21 ASN A 67 8.860 10.158 -6.409 1.00 61.13 H new ATOM 0 HD22 ASN A 67 7.201 10.071 -5.807 1.00 61.13 H new ATOM 1087 N ILE A 68 6.337 4.611 -3.071 1.00 74.42 N ATOM 1088 CA ILE A 68 5.635 3.870 -2.020 1.00 21.44 C ATOM 1089 C ILE A 68 6.703 3.176 -1.153 1.00 63.15 C ATOM 1090 O ILE A 68 7.318 2.192 -1.585 1.00 52.04 O ATOM 1091 CB ILE A 68 4.656 2.793 -2.626 1.00 13.54 C ATOM 1092 CG1 ILE A 68 3.640 3.433 -3.620 1.00 51.24 C ATOM 1093 CG2 ILE A 68 3.924 2.011 -1.508 1.00 62.31 C ATOM 1094 CD1 ILE A 68 2.682 4.433 -3.013 1.00 62.21 C ATOM 0 H ILE A 68 6.602 4.035 -3.870 1.00 74.42 H new ATOM 0 HA ILE A 68 5.031 4.558 -1.429 1.00 21.44 H new ATOM 0 HB ILE A 68 5.262 2.084 -3.190 1.00 13.54 H new ATOM 0 HG12 ILE A 68 4.198 3.926 -4.416 1.00 51.24 H new ATOM 0 HG13 ILE A 68 3.060 2.635 -4.084 1.00 51.24 H new ATOM 0 HG21 ILE A 68 3.256 1.276 -1.956 1.00 62.31 H new ATOM 0 HG22 ILE A 68 4.656 1.502 -0.881 1.00 62.31 H new ATOM 0 HG23 ILE A 68 3.344 2.704 -0.899 1.00 62.31 H new ATOM 0 HD11 ILE A 68 2.019 4.818 -3.788 1.00 62.21 H new ATOM 0 HD12 ILE A 68 2.090 3.946 -2.238 1.00 62.21 H new ATOM 0 HD13 ILE A 68 3.245 5.257 -2.575 1.00 62.21 H new ATOM 1106 N GLN A 69 6.952 3.745 0.035 1.00 62.33 N ATOM 1107 CA GLN A 69 7.887 3.190 1.037 1.00 53.30 C ATOM 1108 C GLN A 69 7.333 1.844 1.568 1.00 50.11 C ATOM 1109 O GLN A 69 6.130 1.714 1.798 1.00 72.43 O ATOM 1110 CB GLN A 69 8.078 4.220 2.212 1.00 71.02 C ATOM 1111 CG GLN A 69 9.482 4.262 2.861 1.00 73.41 C ATOM 1112 CD GLN A 69 9.958 2.938 3.454 1.00 60.40 C ATOM 1113 OE1 GLN A 69 10.580 2.129 2.770 1.00 72.24 O ATOM 1114 NE2 GLN A 69 9.635 2.682 4.714 1.00 71.23 N ATOM 0 H GLN A 69 6.508 4.613 0.335 1.00 62.33 H new ATOM 0 HA GLN A 69 8.859 3.010 0.577 1.00 53.30 H new ATOM 0 HB2 GLN A 69 7.844 5.216 1.836 1.00 71.02 H new ATOM 0 HB3 GLN A 69 7.348 3.993 2.989 1.00 71.02 H new ATOM 0 HG2 GLN A 69 10.203 4.587 2.111 1.00 73.41 H new ATOM 0 HG3 GLN A 69 9.479 5.016 3.648 1.00 73.41 H new ATOM 0 HE21 GLN A 69 9.118 3.373 5.258 1.00 71.23 H new ATOM 0 HE22 GLN A 69 9.904 1.795 5.139 1.00 71.23 H new ATOM 1123 N THR A 70 8.211 0.855 1.759 1.00 64.25 N ATOM 1124 CA THR A 70 7.842 -0.426 2.367 1.00 33.42 C ATOM 1125 C THR A 70 8.252 -0.399 3.847 1.00 5.25 C ATOM 1126 O THR A 70 9.448 -0.430 4.180 1.00 15.24 O ATOM 1127 CB THR A 70 8.505 -1.628 1.621 1.00 41.21 C ATOM 1128 OG1 THR A 70 8.037 -1.667 0.261 1.00 20.01 O ATOM 1129 CG2 THR A 70 8.208 -2.978 2.298 1.00 63.32 C ATOM 0 H THR A 70 9.195 0.920 1.497 1.00 64.25 H new ATOM 0 HA THR A 70 6.764 -0.566 2.286 1.00 33.42 H new ATOM 0 HB THR A 70 9.584 -1.474 1.653 1.00 41.21 H new ATOM 0 HG1 THR A 70 7.913 -2.599 -0.016 1.00 20.01 H new ATOM 0 HG21 THR A 70 8.692 -3.779 1.740 1.00 63.32 H new ATOM 0 HG22 THR A 70 8.590 -2.965 3.319 1.00 63.32 H new ATOM 0 HG23 THR A 70 7.131 -3.147 2.316 1.00 63.32 H new ATOM 1137 N ILE A 71 7.245 -0.271 4.722 1.00 24.24 N ATOM 1138 CA ILE A 71 7.424 -0.252 6.185 1.00 3.20 C ATOM 1139 C ILE A 71 7.756 -1.670 6.655 1.00 73.30 C ATOM 1140 O ILE A 71 8.822 -1.932 7.221 1.00 65.30 O ATOM 1141 CB ILE A 71 6.114 0.265 6.901 1.00 64.43 C ATOM 1142 CG1 ILE A 71 5.667 1.624 6.289 1.00 71.53 C ATOM 1143 CG2 ILE A 71 6.285 0.355 8.441 1.00 1.51 C ATOM 1144 CD1 ILE A 71 6.713 2.719 6.331 1.00 53.24 C ATOM 0 H ILE A 71 6.271 -0.177 4.433 1.00 24.24 H new ATOM 0 HA ILE A 71 8.237 0.427 6.442 1.00 3.20 H new ATOM 0 HB ILE A 71 5.325 -0.466 6.725 1.00 64.43 H new ATOM 0 HG12 ILE A 71 5.376 1.460 5.252 1.00 71.53 H new ATOM 0 HG13 ILE A 71 4.779 1.970 6.819 1.00 71.53 H new ATOM 0 HG21 ILE A 71 5.359 0.715 8.889 1.00 1.51 H new ATOM 0 HG22 ILE A 71 6.521 -0.632 8.839 1.00 1.51 H new ATOM 0 HG23 ILE A 71 7.095 1.045 8.677 1.00 1.51 H new ATOM 0 HD11 ILE A 71 6.308 3.626 5.882 1.00 53.24 H new ATOM 0 HD12 ILE A 71 6.989 2.919 7.366 1.00 53.24 H new ATOM 0 HD13 ILE A 71 7.595 2.401 5.775 1.00 53.24 H new ATOM 1156 N ALA A 72 6.838 -2.579 6.336 1.00 73.04 N ATOM 1157 CA ALA A 72 6.948 -4.004 6.626 1.00 1.13 C ATOM 1158 C ALA A 72 6.510 -4.776 5.380 1.00 64.03 C ATOM 1159 O ALA A 72 5.737 -4.259 4.563 1.00 34.02 O ATOM 1160 CB ALA A 72 6.072 -4.368 7.837 1.00 23.05 C ATOM 0 H ALA A 72 5.972 -2.336 5.855 1.00 73.04 H new ATOM 0 HA ALA A 72 7.977 -4.265 6.876 1.00 1.13 H new ATOM 0 HB1 ALA A 72 6.162 -5.434 8.044 1.00 23.05 H new ATOM 0 HB2 ALA A 72 6.401 -3.800 8.708 1.00 23.05 H new ATOM 0 HB3 ALA A 72 5.031 -4.128 7.619 1.00 23.05 H new ATOM 1166 N MET A 73 7.050 -5.977 5.209 1.00 23.00 N ATOM 1167 CA MET A 73 6.640 -6.893 4.140 1.00 34.01 C ATOM 1168 C MET A 73 6.999 -8.318 4.549 1.00 54.22 C ATOM 1169 O MET A 73 8.116 -8.575 5.029 1.00 62.15 O ATOM 1170 CB MET A 73 7.295 -6.506 2.785 1.00 3.02 C ATOM 1171 CG MET A 73 6.935 -7.421 1.601 1.00 52.35 C ATOM 1172 SD MET A 73 7.422 -6.759 -0.013 1.00 21.12 S ATOM 1173 CE MET A 73 6.339 -5.333 -0.180 1.00 24.52 C ATOM 0 H MET A 73 7.788 -6.348 5.808 1.00 23.00 H new ATOM 0 HA MET A 73 5.562 -6.823 3.996 1.00 34.01 H new ATOM 0 HB2 MET A 73 7.004 -5.485 2.537 1.00 3.02 H new ATOM 0 HB3 MET A 73 8.378 -6.507 2.909 1.00 3.02 H new ATOM 0 HG2 MET A 73 7.413 -8.390 1.745 1.00 52.35 H new ATOM 0 HG3 MET A 73 5.859 -7.594 1.602 1.00 52.35 H new ATOM 0 HE1 MET A 73 6.169 -5.127 -1.237 1.00 24.52 H new ATOM 0 HE2 MET A 73 5.386 -5.541 0.307 1.00 24.52 H new ATOM 0 HE3 MET A 73 6.804 -4.466 0.289 1.00 24.52 H new ATOM 1183 N SER A 74 6.041 -9.232 4.365 1.00 41.00 N ATOM 1184 CA SER A 74 6.200 -10.638 4.727 1.00 13.20 C ATOM 1185 C SER A 74 7.167 -11.328 3.758 1.00 15.54 C ATOM 1186 O SER A 74 7.381 -10.863 2.626 1.00 24.22 O ATOM 1187 CB SER A 74 4.830 -11.349 4.738 1.00 14.04 C ATOM 1188 OG SER A 74 4.897 -12.603 5.384 1.00 12.12 O ATOM 0 H SER A 74 5.131 -9.013 3.959 1.00 41.00 H new ATOM 0 HA SER A 74 6.621 -10.698 5.731 1.00 13.20 H new ATOM 0 HB2 SER A 74 4.097 -10.719 5.242 1.00 14.04 H new ATOM 0 HB3 SER A 74 4.483 -11.485 3.714 1.00 14.04 H new ATOM 0 HG SER A 74 4.012 -13.024 5.374 1.00 12.12 H new ATOM 1194 N ARG A 75 7.713 -12.459 4.205 1.00 33.23 N ATOM 1195 CA ARG A 75 8.773 -13.182 3.497 1.00 50.11 C ATOM 1196 C ARG A 75 8.170 -14.064 2.390 1.00 34.22 C ATOM 1197 O ARG A 75 6.973 -14.386 2.407 1.00 41.34 O ATOM 1198 CB ARG A 75 9.628 -14.014 4.507 1.00 2.45 C ATOM 1199 CG ARG A 75 10.737 -13.214 5.257 1.00 72.15 C ATOM 1200 CD ARG A 75 10.214 -12.013 6.080 1.00 1.22 C ATOM 1201 NE ARG A 75 11.299 -11.302 6.780 1.00 62.13 N ATOM 1202 CZ ARG A 75 11.375 -9.968 6.965 1.00 0.03 C ATOM 1203 NH1 ARG A 75 10.427 -9.146 6.517 1.00 44.25 N ATOM 1204 NH2 ARG A 75 12.417 -9.459 7.604 1.00 11.11 N ATOM 0 H ARG A 75 7.430 -12.905 5.078 1.00 33.23 H new ATOM 0 HA ARG A 75 9.439 -12.465 3.017 1.00 50.11 H new ATOM 0 HB2 ARG A 75 8.960 -14.456 5.246 1.00 2.45 H new ATOM 0 HB3 ARG A 75 10.098 -14.837 3.969 1.00 2.45 H new ATOM 0 HG2 ARG A 75 11.268 -13.892 5.925 1.00 72.15 H new ATOM 0 HG3 ARG A 75 11.462 -12.851 4.528 1.00 72.15 H new ATOM 0 HD2 ARG A 75 9.696 -11.319 5.418 1.00 1.22 H new ATOM 0 HD3 ARG A 75 9.483 -12.365 6.808 1.00 1.22 H new ATOM 0 HE ARG A 75 12.059 -11.868 7.158 1.00 62.13 H new ATOM 0 HH11 ARG A 75 9.619 -9.522 6.021 1.00 44.25 H new ATOM 0 HH12 ARG A 75 10.509 -8.141 6.670 1.00 44.25 H new ATOM 0 HH21 ARG A 75 13.153 -10.074 7.951 1.00 11.11 H new ATOM 0 HH22 ARG A 75 12.484 -8.452 7.749 1.00 11.11 H new ATOM 1218 N ALA A 76 9.021 -14.417 1.419 1.00 2.14 N ATOM 1219 CA ALA A 76 8.655 -15.282 0.293 1.00 53.34 C ATOM 1220 C ALA A 76 8.313 -16.701 0.800 1.00 32.15 C ATOM 1221 O ALA A 76 9.157 -17.358 1.417 1.00 23.42 O ATOM 1222 CB ALA A 76 9.812 -15.306 -0.722 1.00 73.01 C ATOM 0 H ALA A 76 9.992 -14.107 1.393 1.00 2.14 H new ATOM 0 HA ALA A 76 7.767 -14.890 -0.204 1.00 53.34 H new ATOM 0 HB1 ALA A 76 9.546 -15.948 -1.562 1.00 73.01 H new ATOM 0 HB2 ALA A 76 10.000 -14.295 -1.083 1.00 73.01 H new ATOM 0 HB3 ALA A 76 10.710 -15.692 -0.241 1.00 73.01 H new ATOM 1228 N GLY A 77 7.068 -17.149 0.543 1.00 54.33 N ATOM 1229 CA GLY A 77 6.572 -18.450 1.025 1.00 13.43 C ATOM 1230 C GLY A 77 5.636 -18.343 2.228 1.00 73.10 C ATOM 1231 O GLY A 77 4.937 -19.314 2.553 1.00 55.13 O ATOM 0 H GLY A 77 6.384 -16.623 -0.000 1.00 54.33 H new ATOM 0 HA2 GLY A 77 6.048 -18.953 0.212 1.00 13.43 H new ATOM 0 HA3 GLY A 77 7.423 -19.077 1.292 1.00 13.43 H new ATOM 1235 N SER A 78 5.619 -17.167 2.894 1.00 10.53 N ATOM 1236 CA SER A 78 4.760 -16.933 4.070 1.00 44.41 C ATOM 1237 C SER A 78 3.280 -16.831 3.639 1.00 21.14 C ATOM 1238 O SER A 78 2.949 -16.072 2.722 1.00 62.34 O ATOM 1239 CB SER A 78 5.206 -15.649 4.808 1.00 14.22 C ATOM 1240 OG SER A 78 6.588 -15.703 5.145 1.00 42.04 O ATOM 0 H SER A 78 6.193 -16.365 2.634 1.00 10.53 H new ATOM 0 HA SER A 78 4.860 -17.775 4.754 1.00 44.41 H new ATOM 0 HB2 SER A 78 5.016 -14.780 4.178 1.00 14.22 H new ATOM 0 HB3 SER A 78 4.613 -15.522 5.714 1.00 14.22 H new ATOM 0 HG SER A 78 7.125 -15.457 4.363 1.00 42.04 H new ATOM 1246 N ARG A 79 2.407 -17.609 4.307 1.00 61.52 N ATOM 1247 CA ARG A 79 0.980 -17.741 3.956 1.00 5.03 C ATOM 1248 C ARG A 79 0.112 -17.624 5.241 1.00 63.05 C ATOM 1249 O ARG A 79 0.201 -18.497 6.112 1.00 32.22 O ATOM 1250 CB ARG A 79 0.742 -19.102 3.234 1.00 20.33 C ATOM 1251 CG ARG A 79 1.381 -19.183 1.831 1.00 34.44 C ATOM 1252 CD ARG A 79 1.187 -20.543 1.146 1.00 13.45 C ATOM 1253 NE ARG A 79 1.825 -20.578 -0.190 1.00 74.23 N ATOM 1254 CZ ARG A 79 2.876 -21.330 -0.524 1.00 15.41 C ATOM 1255 NH1 ARG A 79 3.453 -22.140 0.357 1.00 54.04 N ATOM 1256 NH2 ARG A 79 3.357 -21.261 -1.756 1.00 74.34 N ATOM 0 H ARG A 79 2.676 -18.170 5.115 1.00 61.52 H new ATOM 0 HA ARG A 79 0.690 -16.940 3.276 1.00 5.03 H new ATOM 0 HB2 ARG A 79 1.142 -19.906 3.852 1.00 20.33 H new ATOM 0 HB3 ARG A 79 -0.331 -19.273 3.145 1.00 20.33 H new ATOM 0 HG2 ARG A 79 0.953 -18.403 1.200 1.00 34.44 H new ATOM 0 HG3 ARG A 79 2.448 -18.976 1.914 1.00 34.44 H new ATOM 0 HD2 ARG A 79 1.609 -21.329 1.772 1.00 13.45 H new ATOM 0 HD3 ARG A 79 0.122 -20.752 1.046 1.00 13.45 H new ATOM 0 HE ARG A 79 1.429 -19.979 -0.914 1.00 74.23 H new ATOM 0 HH11 ARG A 79 3.094 -22.196 1.310 1.00 54.04 H new ATOM 0 HH12 ARG A 79 4.255 -22.706 0.080 1.00 54.04 H new ATOM 0 HH21 ARG A 79 2.925 -20.638 -2.438 1.00 74.34 H new ATOM 0 HH22 ARG A 79 4.160 -21.831 -2.023 1.00 74.34 H new ATOM 1270 N PRO A 80 -0.737 -16.548 5.403 1.00 63.30 N ATOM 1271 CA PRO A 80 -0.941 -15.469 4.399 1.00 51.34 C ATOM 1272 C PRO A 80 0.191 -14.407 4.395 1.00 13.42 C ATOM 1273 O PRO A 80 0.755 -14.070 5.445 1.00 1.52 O ATOM 1274 CB PRO A 80 -2.290 -14.860 4.846 1.00 64.21 C ATOM 1275 CG PRO A 80 -2.288 -14.993 6.335 1.00 33.45 C ATOM 1276 CD PRO A 80 -1.582 -16.309 6.620 1.00 50.22 C ATOM 0 HA PRO A 80 -0.934 -15.845 3.376 1.00 51.34 H new ATOM 0 HB2 PRO A 80 -2.375 -13.817 4.541 1.00 64.21 H new ATOM 0 HB3 PRO A 80 -3.132 -15.391 4.402 1.00 64.21 H new ATOM 0 HG2 PRO A 80 -1.767 -14.158 6.804 1.00 33.45 H new ATOM 0 HG3 PRO A 80 -3.304 -14.998 6.731 1.00 33.45 H new ATOM 0 HD2 PRO A 80 -0.972 -16.246 7.521 1.00 50.22 H new ATOM 0 HD3 PRO A 80 -2.296 -17.118 6.774 1.00 50.22 H new ATOM 1284 N TRP A 81 0.520 -13.909 3.196 1.00 15.31 N ATOM 1285 CA TRP A 81 1.556 -12.875 3.001 1.00 14.34 C ATOM 1286 C TRP A 81 0.950 -11.480 3.279 1.00 42.04 C ATOM 1287 O TRP A 81 -0.029 -11.122 2.660 1.00 20.34 O ATOM 1288 CB TRP A 81 2.088 -12.970 1.534 1.00 5.34 C ATOM 1289 CG TRP A 81 3.109 -11.911 1.160 1.00 14.11 C ATOM 1290 CD1 TRP A 81 4.468 -11.988 1.285 1.00 2.01 C ATOM 1291 CD2 TRP A 81 2.839 -10.615 0.591 1.00 31.43 C ATOM 1292 NE1 TRP A 81 5.046 -10.812 0.871 1.00 61.41 N ATOM 1293 CE2 TRP A 81 4.070 -9.963 0.429 1.00 54.35 C ATOM 1294 CE3 TRP A 81 1.670 -9.950 0.209 1.00 30.52 C ATOM 1295 CZ2 TRP A 81 4.167 -8.680 -0.099 1.00 32.31 C ATOM 1296 CZ3 TRP A 81 1.769 -8.683 -0.316 1.00 60.32 C ATOM 1297 CH2 TRP A 81 3.008 -8.055 -0.466 1.00 71.12 C ATOM 0 H TRP A 81 0.076 -14.210 2.328 1.00 15.31 H new ATOM 0 HA TRP A 81 2.385 -13.031 3.691 1.00 14.34 H new ATOM 0 HB2 TRP A 81 2.534 -13.954 1.387 1.00 5.34 H new ATOM 0 HB3 TRP A 81 1.242 -12.898 0.850 1.00 5.34 H new ATOM 0 HD1 TRP A 81 5.008 -12.847 1.655 1.00 2.01 H new ATOM 0 HE1 TRP A 81 6.045 -10.605 0.890 1.00 61.41 H new ATOM 0 HE3 TRP A 81 0.706 -10.423 0.324 1.00 30.52 H new ATOM 0 HZ2 TRP A 81 5.125 -8.194 -0.215 1.00 32.31 H new ATOM 0 HZ3 TRP A 81 0.872 -8.163 -0.618 1.00 60.32 H new ATOM 0 HH2 TRP A 81 3.051 -7.058 -0.879 1.00 71.12 H new ATOM 1308 N LYS A 82 1.524 -10.695 4.204 1.00 14.20 N ATOM 1309 CA LYS A 82 1.058 -9.313 4.474 1.00 62.15 C ATOM 1310 C LYS A 82 2.205 -8.292 4.339 1.00 32.21 C ATOM 1311 O LYS A 82 3.347 -8.588 4.663 1.00 65.52 O ATOM 1312 CB LYS A 82 0.387 -9.227 5.876 1.00 23.34 C ATOM 1313 CG LYS A 82 -0.077 -7.803 6.272 1.00 22.22 C ATOM 1314 CD LYS A 82 -1.053 -7.765 7.464 1.00 22.14 C ATOM 1315 CE LYS A 82 -2.424 -8.373 7.138 1.00 23.32 C ATOM 1316 NZ LYS A 82 -3.435 -8.072 8.187 1.00 43.02 N ATOM 0 H LYS A 82 2.312 -10.988 4.781 1.00 14.20 H new ATOM 0 HA LYS A 82 0.311 -9.058 3.722 1.00 62.15 H new ATOM 0 HB2 LYS A 82 -0.473 -9.896 5.896 1.00 23.34 H new ATOM 0 HB3 LYS A 82 1.090 -9.589 6.626 1.00 23.34 H new ATOM 0 HG2 LYS A 82 0.799 -7.202 6.515 1.00 22.22 H new ATOM 0 HG3 LYS A 82 -0.555 -7.336 5.411 1.00 22.22 H new ATOM 0 HD2 LYS A 82 -0.613 -8.304 8.303 1.00 22.14 H new ATOM 0 HD3 LYS A 82 -1.187 -6.732 7.784 1.00 22.14 H new ATOM 0 HE2 LYS A 82 -2.772 -7.988 6.179 1.00 23.32 H new ATOM 0 HE3 LYS A 82 -2.325 -9.453 7.031 1.00 23.32 H new ATOM 0 HZ1 LYS A 82 -4.361 -8.443 7.893 1.00 43.02 H new ATOM 0 HZ2 LYS A 82 -3.150 -8.519 9.082 1.00 43.02 H new ATOM 0 HZ3 LYS A 82 -3.501 -7.043 8.320 1.00 43.02 H new ATOM 1330 N ALA A 83 1.861 -7.068 3.895 1.00 34.35 N ATOM 1331 CA ALA A 83 2.813 -5.967 3.704 1.00 64.41 C ATOM 1332 C ALA A 83 2.166 -4.657 4.162 1.00 23.32 C ATOM 1333 O ALA A 83 0.981 -4.427 3.925 1.00 60.41 O ATOM 1334 CB ALA A 83 3.242 -5.852 2.233 1.00 2.31 C ATOM 0 H ALA A 83 0.901 -6.817 3.657 1.00 34.35 H new ATOM 0 HA ALA A 83 3.704 -6.170 4.298 1.00 64.41 H new ATOM 0 HB1 ALA A 83 3.947 -5.028 2.123 1.00 2.31 H new ATOM 0 HB2 ALA A 83 3.718 -6.781 1.919 1.00 2.31 H new ATOM 0 HB3 ALA A 83 2.366 -5.665 1.612 1.00 2.31 H new ATOM 1340 N TYR A 84 2.956 -3.825 4.832 1.00 71.42 N ATOM 1341 CA TYR A 84 2.564 -2.479 5.255 1.00 70.23 C ATOM 1342 C TYR A 84 3.391 -1.444 4.477 1.00 22.42 C ATOM 1343 O TYR A 84 4.623 -1.453 4.528 1.00 71.23 O ATOM 1344 CB TYR A 84 2.763 -2.342 6.779 1.00 52.24 C ATOM 1345 CG TYR A 84 1.784 -3.202 7.593 1.00 45.23 C ATOM 1346 CD1 TYR A 84 0.410 -2.990 7.491 1.00 70.45 C ATOM 1347 CD2 TYR A 84 2.218 -4.196 8.467 1.00 74.41 C ATOM 1348 CE1 TYR A 84 -0.485 -3.725 8.230 1.00 44.44 C ATOM 1349 CE2 TYR A 84 1.317 -4.940 9.207 1.00 24.52 C ATOM 1350 CZ TYR A 84 -0.031 -4.696 9.084 1.00 14.31 C ATOM 1351 OH TYR A 84 -0.936 -5.427 9.823 1.00 24.21 O ATOM 0 H TYR A 84 3.908 -4.070 5.104 1.00 71.42 H new ATOM 0 HA TYR A 84 1.510 -2.302 5.038 1.00 70.23 H new ATOM 0 HB2 TYR A 84 3.784 -2.625 7.033 1.00 52.24 H new ATOM 0 HB3 TYR A 84 2.642 -1.297 7.063 1.00 52.24 H new ATOM 0 HD1 TYR A 84 0.041 -2.232 6.816 1.00 70.45 H new ATOM 0 HD2 TYR A 84 3.276 -4.389 8.569 1.00 74.41 H new ATOM 0 HE1 TYR A 84 -1.545 -3.538 8.138 1.00 44.44 H new ATOM 0 HE2 TYR A 84 1.670 -5.709 9.878 1.00 24.52 H new ATOM 0 HH TYR A 84 -1.811 -5.406 9.382 1.00 24.21 H new ATOM 1361 N LEU A 85 2.694 -0.588 3.725 1.00 63.13 N ATOM 1362 CA LEU A 85 3.293 0.401 2.812 1.00 12.30 C ATOM 1363 C LEU A 85 2.861 1.820 3.212 1.00 64.42 C ATOM 1364 O LEU A 85 1.749 2.014 3.685 1.00 50.35 O ATOM 1365 CB LEU A 85 2.807 0.117 1.365 1.00 73.33 C ATOM 1366 CG LEU A 85 3.005 -1.333 0.826 1.00 62.11 C ATOM 1367 CD1 LEU A 85 2.362 -1.493 -0.571 1.00 13.23 C ATOM 1368 CD2 LEU A 85 4.496 -1.735 0.821 1.00 34.23 C ATOM 0 H LEU A 85 1.674 -0.559 3.731 1.00 63.13 H new ATOM 0 HA LEU A 85 4.379 0.326 2.868 1.00 12.30 H new ATOM 0 HB2 LEU A 85 1.745 0.357 1.311 1.00 73.33 H new ATOM 0 HB3 LEU A 85 3.324 0.802 0.693 1.00 73.33 H new ATOM 0 HG LEU A 85 2.494 -2.017 1.504 1.00 62.11 H new ATOM 0 HD11 LEU A 85 2.513 -2.512 -0.926 1.00 13.23 H new ATOM 0 HD12 LEU A 85 1.294 -1.286 -0.506 1.00 13.23 H new ATOM 0 HD13 LEU A 85 2.825 -0.794 -1.267 1.00 13.23 H new ATOM 0 HD21 LEU A 85 4.598 -2.751 0.440 1.00 34.23 H new ATOM 0 HD22 LEU A 85 5.055 -1.050 0.183 1.00 34.23 H new ATOM 0 HD23 LEU A 85 4.889 -1.688 1.837 1.00 34.23 H new ATOM 1380 N SER A 86 3.718 2.812 2.978 1.00 23.40 N ATOM 1381 CA SER A 86 3.399 4.222 3.257 1.00 43.35 C ATOM 1382 C SER A 86 3.861 5.122 2.115 1.00 24.23 C ATOM 1383 O SER A 86 4.820 4.816 1.414 1.00 12.41 O ATOM 1384 CB SER A 86 4.035 4.684 4.587 1.00 30.33 C ATOM 1385 OG SER A 86 3.511 3.961 5.685 1.00 13.44 O ATOM 0 H SER A 86 4.651 2.668 2.591 1.00 23.40 H new ATOM 0 HA SER A 86 2.316 4.302 3.347 1.00 43.35 H new ATOM 0 HB2 SER A 86 5.116 4.549 4.542 1.00 30.33 H new ATOM 0 HB3 SER A 86 3.852 5.749 4.729 1.00 30.33 H new ATOM 0 HG SER A 86 2.740 3.432 5.391 1.00 13.44 H new ATOM 1391 N ALA A 87 3.155 6.233 1.957 1.00 12.32 N ATOM 1392 CA ALA A 87 3.500 7.301 1.027 1.00 64.25 C ATOM 1393 C ALA A 87 3.088 8.636 1.653 1.00 43.14 C ATOM 1394 O ALA A 87 2.292 8.670 2.596 1.00 55.04 O ATOM 1395 CB ALA A 87 2.809 7.071 -0.323 1.00 40.21 C ATOM 0 H ALA A 87 2.304 6.422 2.486 1.00 12.32 H new ATOM 0 HA ALA A 87 4.574 7.313 0.840 1.00 64.25 H new ATOM 0 HB1 ALA A 87 3.074 7.875 -1.009 1.00 40.21 H new ATOM 0 HB2 ALA A 87 3.132 6.117 -0.739 1.00 40.21 H new ATOM 0 HB3 ALA A 87 1.728 7.057 -0.181 1.00 40.21 H new ATOM 1401 N GLN A 88 3.660 9.719 1.150 1.00 30.02 N ATOM 1402 CA GLN A 88 3.303 11.082 1.559 1.00 23.23 C ATOM 1403 C GLN A 88 3.455 11.943 0.310 1.00 51.13 C ATOM 1404 O GLN A 88 4.506 11.897 -0.334 1.00 34.12 O ATOM 1405 CB GLN A 88 4.237 11.560 2.722 1.00 74.32 C ATOM 1406 CG GLN A 88 3.704 12.691 3.629 1.00 51.42 C ATOM 1407 CD GLN A 88 3.330 13.963 2.895 1.00 25.13 C ATOM 1408 OE1 GLN A 88 2.181 14.159 2.526 1.00 53.12 O ATOM 1409 NE2 GLN A 88 4.314 14.795 2.598 1.00 71.53 N ATOM 0 H GLN A 88 4.392 9.684 0.440 1.00 30.02 H new ATOM 0 HA GLN A 88 2.285 11.146 1.944 1.00 23.23 H new ATOM 0 HB2 GLN A 88 4.462 10.699 3.351 1.00 74.32 H new ATOM 0 HB3 GLN A 88 5.179 11.891 2.286 1.00 74.32 H new ATOM 0 HG2 GLN A 88 2.829 12.326 4.166 1.00 51.42 H new ATOM 0 HG3 GLN A 88 4.461 12.927 4.376 1.00 51.42 H new ATOM 0 HE21 GLN A 88 5.261 14.601 2.922 1.00 71.53 H new ATOM 0 HE22 GLN A 88 4.126 15.631 2.045 1.00 71.53 H new ATOM 1418 N ASP A 89 2.406 12.691 -0.061 1.00 63.20 N ATOM 1419 CA ASP A 89 2.409 13.479 -1.307 1.00 53.43 C ATOM 1420 C ASP A 89 2.703 14.967 -1.028 1.00 44.14 C ATOM 1421 O ASP A 89 2.792 15.398 0.132 1.00 55.33 O ATOM 1422 CB ASP A 89 1.062 13.277 -2.075 1.00 1.21 C ATOM 1423 CG ASP A 89 -0.048 14.280 -1.720 1.00 55.02 C ATOM 1424 OD1 ASP A 89 -0.469 14.335 -0.544 1.00 11.12 O ATOM 1425 OD2 ASP A 89 -0.472 15.045 -2.615 1.00 23.11 O ATOM 0 H ASP A 89 1.545 12.768 0.481 1.00 63.20 H new ATOM 0 HA ASP A 89 3.214 13.119 -1.947 1.00 53.43 H new ATOM 0 HB2 ASP A 89 1.259 13.340 -3.145 1.00 1.21 H new ATOM 0 HB3 ASP A 89 0.697 12.269 -1.877 1.00 1.21 H new ATOM 1430 N ASP A 90 2.817 15.749 -2.117 1.00 11.50 N ATOM 1431 CA ASP A 90 3.202 17.164 -2.061 1.00 25.21 C ATOM 1432 C ASP A 90 2.235 18.004 -1.192 1.00 62.23 C ATOM 1433 O ASP A 90 2.665 18.938 -0.502 1.00 14.05 O ATOM 1434 CB ASP A 90 3.258 17.734 -3.504 1.00 1.33 C ATOM 1435 CG ASP A 90 3.715 19.208 -3.555 1.00 63.23 C ATOM 1436 OD1 ASP A 90 4.937 19.463 -3.602 1.00 12.20 O ATOM 1437 OD2 ASP A 90 2.860 20.124 -3.536 1.00 33.11 O ATOM 0 H ASP A 90 2.643 15.412 -3.064 1.00 11.50 H new ATOM 0 HA ASP A 90 4.184 17.227 -1.592 1.00 25.21 H new ATOM 0 HB2 ASP A 90 3.939 17.128 -4.102 1.00 1.33 H new ATOM 0 HB3 ASP A 90 2.272 17.649 -3.960 1.00 1.33 H new ATOM 1442 N THR A 91 0.949 17.613 -1.159 1.00 33.25 N ATOM 1443 CA THR A 91 -0.120 18.422 -0.534 1.00 3.44 C ATOM 1444 C THR A 91 -0.248 18.141 0.981 1.00 52.31 C ATOM 1445 O THR A 91 -1.008 18.835 1.676 1.00 70.20 O ATOM 1446 CB THR A 91 -1.496 18.183 -1.231 1.00 62.23 C ATOM 1447 OG1 THR A 91 -2.034 16.906 -0.859 1.00 71.34 O ATOM 1448 CG2 THR A 91 -1.381 18.247 -2.766 1.00 22.40 C ATOM 0 H THR A 91 0.620 16.735 -1.560 1.00 33.25 H new ATOM 0 HA THR A 91 0.166 19.466 -0.665 1.00 3.44 H new ATOM 0 HB THR A 91 -2.162 18.979 -0.898 1.00 62.23 H new ATOM 0 HG1 THR A 91 -1.701 16.219 -1.474 1.00 71.34 H new ATOM 0 HG21 THR A 91 -2.361 18.075 -3.212 1.00 22.40 H new ATOM 0 HG22 THR A 91 -1.014 19.230 -3.063 1.00 22.40 H new ATOM 0 HG23 THR A 91 -0.686 17.481 -3.111 1.00 22.40 H new ATOM 1456 N GLY A 92 0.481 17.120 1.481 1.00 1.33 N ATOM 1457 CA GLY A 92 0.541 16.842 2.924 1.00 5.34 C ATOM 1458 C GLY A 92 -0.361 15.705 3.399 1.00 31.34 C ATOM 1459 O GLY A 92 -0.505 15.508 4.613 1.00 72.02 O ATOM 0 H GLY A 92 1.031 16.481 0.907 1.00 1.33 H new ATOM 0 HA2 GLY A 92 1.571 16.605 3.191 1.00 5.34 H new ATOM 0 HA3 GLY A 92 0.273 17.749 3.465 1.00 5.34 H new ATOM 1463 N CYS A 93 -0.947 14.933 2.469 1.00 33.15 N ATOM 1464 CA CYS A 93 -1.766 13.755 2.823 1.00 3.24 C ATOM 1465 C CYS A 93 -0.852 12.533 3.031 1.00 62.24 C ATOM 1466 O CYS A 93 0.003 12.242 2.189 1.00 41.50 O ATOM 1467 CB CYS A 93 -2.814 13.464 1.726 1.00 40.51 C ATOM 1468 SG CYS A 93 -3.920 14.837 1.383 1.00 24.53 S ATOM 0 H CYS A 93 -0.871 15.101 1.466 1.00 33.15 H new ATOM 0 HA CYS A 93 -2.300 13.965 3.750 1.00 3.24 H new ATOM 0 HB2 CYS A 93 -2.295 13.191 0.807 1.00 40.51 H new ATOM 0 HB3 CYS A 93 -3.407 12.600 2.026 1.00 40.51 H new ATOM 0 HG CYS A 93 -4.053 15.565 2.452 1.00 24.53 H new ATOM 1474 N LEU A 94 -1.025 11.843 4.171 1.00 44.12 N ATOM 1475 CA LEU A 94 -0.274 10.612 4.502 1.00 15.34 C ATOM 1476 C LEU A 94 -1.118 9.392 4.054 1.00 24.32 C ATOM 1477 O LEU A 94 -2.292 9.288 4.402 1.00 23.13 O ATOM 1478 CB LEU A 94 0.034 10.568 6.042 1.00 33.41 C ATOM 1479 CG LEU A 94 1.249 9.685 6.529 1.00 42.11 C ATOM 1480 CD1 LEU A 94 1.036 8.179 6.298 1.00 45.05 C ATOM 1481 CD2 LEU A 94 2.580 10.151 5.894 1.00 5.13 C ATOM 0 H LEU A 94 -1.690 12.121 4.893 1.00 44.12 H new ATOM 0 HA LEU A 94 0.683 10.593 3.980 1.00 15.34 H new ATOM 0 HB2 LEU A 94 0.209 11.590 6.377 1.00 33.41 H new ATOM 0 HB3 LEU A 94 -0.862 10.214 6.552 1.00 33.41 H new ATOM 0 HG LEU A 94 1.308 9.832 7.607 1.00 42.11 H new ATOM 0 HD11 LEU A 94 1.907 7.629 6.654 1.00 45.05 H new ATOM 0 HD12 LEU A 94 0.151 7.849 6.842 1.00 45.05 H new ATOM 0 HD13 LEU A 94 0.899 7.990 5.233 1.00 45.05 H new ATOM 0 HD21 LEU A 94 3.394 9.521 6.252 1.00 5.13 H new ATOM 0 HD22 LEU A 94 2.512 10.074 4.809 1.00 5.13 H new ATOM 0 HD23 LEU A 94 2.773 11.187 6.173 1.00 5.13 H new ATOM 1493 N PHE A 95 -0.496 8.479 3.295 1.00 50.33 N ATOM 1494 CA PHE A 95 -1.142 7.279 2.729 1.00 61.44 C ATOM 1495 C PHE A 95 -0.550 6.016 3.369 1.00 44.53 C ATOM 1496 O PHE A 95 0.668 5.879 3.477 1.00 50.23 O ATOM 1497 CB PHE A 95 -0.940 7.255 1.193 1.00 65.41 C ATOM 1498 CG PHE A 95 -1.547 8.468 0.495 1.00 13.52 C ATOM 1499 CD1 PHE A 95 -0.823 9.652 0.347 1.00 42.41 C ATOM 1500 CD2 PHE A 95 -2.858 8.435 0.025 1.00 63.51 C ATOM 1501 CE1 PHE A 95 -1.393 10.755 -0.250 1.00 63.22 C ATOM 1502 CE2 PHE A 95 -3.425 9.545 -0.567 1.00 31.13 C ATOM 1503 CZ PHE A 95 -2.695 10.701 -0.702 1.00 60.35 C ATOM 0 H PHE A 95 0.491 8.553 3.050 1.00 50.33 H new ATOM 0 HA PHE A 95 -2.210 7.307 2.943 1.00 61.44 H new ATOM 0 HB2 PHE A 95 0.127 7.211 0.973 1.00 65.41 H new ATOM 0 HB3 PHE A 95 -1.387 6.347 0.787 1.00 65.41 H new ATOM 0 HD1 PHE A 95 0.195 9.704 0.704 1.00 42.41 H new ATOM 0 HD2 PHE A 95 -3.438 7.529 0.125 1.00 63.51 H new ATOM 0 HE1 PHE A 95 -0.820 11.663 -0.364 1.00 63.22 H new ATOM 0 HE2 PHE A 95 -4.443 9.505 -0.924 1.00 31.13 H new ATOM 0 HZ PHE A 95 -3.142 11.569 -1.163 1.00 60.35 H new ATOM 1513 N LEU A 96 -1.434 5.136 3.832 1.00 53.44 N ATOM 1514 CA LEU A 96 -1.088 3.835 4.421 1.00 32.42 C ATOM 1515 C LEU A 96 -1.810 2.723 3.635 1.00 42.03 C ATOM 1516 O LEU A 96 -3.012 2.811 3.393 1.00 51.23 O ATOM 1517 CB LEU A 96 -1.540 3.812 5.904 1.00 25.22 C ATOM 1518 CG LEU A 96 -0.944 4.905 6.839 1.00 13.24 C ATOM 1519 CD1 LEU A 96 -1.607 4.874 8.223 1.00 45.14 C ATOM 1520 CD2 LEU A 96 0.585 4.776 6.960 1.00 62.12 C ATOM 0 H LEU A 96 -2.439 5.308 3.810 1.00 53.44 H new ATOM 0 HA LEU A 96 -0.011 3.674 4.372 1.00 32.42 H new ATOM 0 HB2 LEU A 96 -2.626 3.900 5.929 1.00 25.22 H new ATOM 0 HB3 LEU A 96 -1.289 2.836 6.320 1.00 25.22 H new ATOM 0 HG LEU A 96 -1.158 5.872 6.383 1.00 13.24 H new ATOM 0 HD11 LEU A 96 -1.170 5.648 8.853 1.00 45.14 H new ATOM 0 HD12 LEU A 96 -2.677 5.053 8.118 1.00 45.14 H new ATOM 0 HD13 LEU A 96 -1.445 3.899 8.682 1.00 45.14 H new ATOM 0 HD21 LEU A 96 0.965 5.556 7.620 1.00 62.12 H new ATOM 0 HD22 LEU A 96 0.836 3.798 7.371 1.00 62.12 H new ATOM 0 HD23 LEU A 96 1.038 4.883 5.974 1.00 62.12 H new ATOM 1532 N THR A 97 -1.073 1.684 3.241 1.00 45.43 N ATOM 1533 CA THR A 97 -1.621 0.522 2.522 1.00 2.30 C ATOM 1534 C THR A 97 -1.274 -0.776 3.273 1.00 54.42 C ATOM 1535 O THR A 97 -0.212 -0.885 3.886 1.00 1.12 O ATOM 1536 CB THR A 97 -1.064 0.458 1.053 1.00 53.14 C ATOM 1537 OG1 THR A 97 -1.215 1.738 0.426 1.00 32.41 O ATOM 1538 CG2 THR A 97 -1.778 -0.610 0.191 1.00 51.23 C ATOM 0 H THR A 97 -0.069 1.620 3.411 1.00 45.43 H new ATOM 0 HA THR A 97 -2.705 0.630 2.474 1.00 2.30 H new ATOM 0 HB THR A 97 -0.012 0.180 1.122 1.00 53.14 H new ATOM 0 HG1 THR A 97 -0.866 1.697 -0.489 1.00 32.41 H new ATOM 0 HG21 THR A 97 -1.354 -0.610 -0.813 1.00 51.23 H new ATOM 0 HG22 THR A 97 -1.642 -1.593 0.643 1.00 51.23 H new ATOM 0 HG23 THR A 97 -2.842 -0.380 0.135 1.00 51.23 H new ATOM 1546 N GLU A 98 -2.197 -1.735 3.233 1.00 24.10 N ATOM 1547 CA GLU A 98 -1.987 -3.095 3.726 1.00 60.34 C ATOM 1548 C GLU A 98 -2.325 -4.059 2.588 1.00 42.42 C ATOM 1549 O GLU A 98 -3.431 -4.025 2.056 1.00 61.51 O ATOM 1550 CB GLU A 98 -2.887 -3.376 4.949 1.00 73.03 C ATOM 1551 CG GLU A 98 -2.830 -4.820 5.484 1.00 32.22 C ATOM 1552 CD GLU A 98 -3.824 -5.061 6.630 1.00 3.23 C ATOM 1553 OE1 GLU A 98 -5.020 -5.269 6.344 1.00 22.11 O ATOM 1554 OE2 GLU A 98 -3.418 -5.049 7.816 1.00 61.21 O ATOM 0 H GLU A 98 -3.130 -1.586 2.849 1.00 24.10 H new ATOM 0 HA GLU A 98 -0.952 -3.224 4.042 1.00 60.34 H new ATOM 0 HB2 GLU A 98 -2.604 -2.696 5.753 1.00 73.03 H new ATOM 0 HB3 GLU A 98 -3.918 -3.144 4.683 1.00 73.03 H new ATOM 0 HG2 GLU A 98 -3.042 -5.514 4.671 1.00 32.22 H new ATOM 0 HG3 GLU A 98 -1.820 -5.036 5.832 1.00 32.22 H new ATOM 1561 N LEU A 99 -1.360 -4.872 2.183 1.00 11.55 N ATOM 1562 CA LEU A 99 -1.570 -5.941 1.204 1.00 20.32 C ATOM 1563 C LEU A 99 -1.648 -7.269 1.968 1.00 34.12 C ATOM 1564 O LEU A 99 -0.912 -7.459 2.931 1.00 61.22 O ATOM 1565 CB LEU A 99 -0.403 -5.963 0.185 1.00 1.44 C ATOM 1566 CG LEU A 99 -0.142 -4.639 -0.599 1.00 14.32 C ATOM 1567 CD1 LEU A 99 1.042 -4.803 -1.572 1.00 1.34 C ATOM 1568 CD2 LEU A 99 -1.404 -4.151 -1.339 1.00 23.12 C ATOM 0 H LEU A 99 -0.401 -4.812 2.524 1.00 11.55 H new ATOM 0 HA LEU A 99 -2.493 -5.777 0.648 1.00 20.32 H new ATOM 0 HB2 LEU A 99 0.510 -6.231 0.717 1.00 1.44 H new ATOM 0 HB3 LEU A 99 -0.595 -6.756 -0.538 1.00 1.44 H new ATOM 0 HG LEU A 99 0.119 -3.873 0.131 1.00 14.32 H new ATOM 0 HD11 LEU A 99 1.205 -3.868 -2.107 1.00 1.34 H new ATOM 0 HD12 LEU A 99 1.940 -5.062 -1.012 1.00 1.34 H new ATOM 0 HD13 LEU A 99 0.819 -5.596 -2.286 1.00 1.34 H new ATOM 0 HD21 LEU A 99 -1.179 -3.227 -1.872 1.00 23.12 H new ATOM 0 HD22 LEU A 99 -1.725 -4.911 -2.051 1.00 23.12 H new ATOM 0 HD23 LEU A 99 -2.201 -3.969 -0.618 1.00 23.12 H new ATOM 1580 N LEU A 100 -2.575 -8.146 1.578 1.00 1.33 N ATOM 1581 CA LEU A 100 -2.705 -9.504 2.149 1.00 63.42 C ATOM 1582 C LEU A 100 -2.924 -10.483 0.992 1.00 10.35 C ATOM 1583 O LEU A 100 -3.727 -10.211 0.131 1.00 5.31 O ATOM 1584 CB LEU A 100 -3.885 -9.535 3.175 1.00 12.22 C ATOM 1585 CG LEU A 100 -4.031 -10.799 4.111 1.00 31.44 C ATOM 1586 CD1 LEU A 100 -4.625 -12.031 3.389 1.00 52.44 C ATOM 1587 CD2 LEU A 100 -2.681 -11.154 4.779 1.00 45.14 C ATOM 0 H LEU A 100 -3.264 -7.941 0.854 1.00 1.33 H new ATOM 0 HA LEU A 100 -1.804 -9.793 2.690 1.00 63.42 H new ATOM 0 HB2 LEU A 100 -3.793 -8.657 3.814 1.00 12.22 H new ATOM 0 HB3 LEU A 100 -4.814 -9.426 2.616 1.00 12.22 H new ATOM 0 HG LEU A 100 -4.747 -10.521 4.885 1.00 31.44 H new ATOM 0 HD11 LEU A 100 -4.698 -12.863 4.089 1.00 52.44 H new ATOM 0 HD12 LEU A 100 -5.618 -11.787 3.011 1.00 52.44 H new ATOM 0 HD13 LEU A 100 -3.979 -12.312 2.558 1.00 52.44 H new ATOM 0 HD21 LEU A 100 -2.810 -12.028 5.418 1.00 45.14 H new ATOM 0 HD22 LEU A 100 -1.941 -11.373 4.009 1.00 45.14 H new ATOM 0 HD23 LEU A 100 -2.340 -10.312 5.381 1.00 45.14 H new ATOM 1599 N LEU A 101 -2.198 -11.601 0.975 1.00 4.42 N ATOM 1600 CA LEU A 101 -2.342 -12.663 -0.031 1.00 25.04 C ATOM 1601 C LEU A 101 -2.756 -13.953 0.698 1.00 51.03 C ATOM 1602 O LEU A 101 -2.032 -14.418 1.588 1.00 11.34 O ATOM 1603 CB LEU A 101 -0.996 -12.859 -0.770 1.00 63.53 C ATOM 1604 CG LEU A 101 -0.963 -13.968 -1.872 1.00 12.05 C ATOM 1605 CD1 LEU A 101 -1.736 -13.547 -3.136 1.00 42.45 C ATOM 1606 CD2 LEU A 101 0.482 -14.383 -2.194 1.00 12.24 C ATOM 0 H LEU A 101 -1.479 -11.801 1.671 1.00 4.42 H new ATOM 0 HA LEU A 101 -3.099 -12.400 -0.769 1.00 25.04 H new ATOM 0 HB2 LEU A 101 -0.718 -11.911 -1.231 1.00 63.53 H new ATOM 0 HB3 LEU A 101 -0.230 -13.090 -0.030 1.00 63.53 H new ATOM 0 HG LEU A 101 -1.475 -14.843 -1.472 1.00 12.05 H new ATOM 0 HD11 LEU A 101 -1.687 -14.346 -3.875 1.00 42.45 H new ATOM 0 HD12 LEU A 101 -2.777 -13.354 -2.878 1.00 42.45 H new ATOM 0 HD13 LEU A 101 -1.291 -12.642 -3.550 1.00 42.45 H new ATOM 0 HD21 LEU A 101 0.476 -15.155 -2.963 1.00 12.24 H new ATOM 0 HD22 LEU A 101 1.038 -13.517 -2.554 1.00 12.24 H new ATOM 0 HD23 LEU A 101 0.958 -14.771 -1.294 1.00 12.24 H new ATOM 1618 N GLU A 102 -3.922 -14.497 0.314 1.00 0.41 N ATOM 1619 CA GLU A 102 -4.533 -15.691 0.932 1.00 50.42 C ATOM 1620 C GLU A 102 -3.621 -16.950 0.820 1.00 1.24 C ATOM 1621 O GLU A 102 -2.902 -17.101 -0.176 1.00 11.32 O ATOM 1622 CB GLU A 102 -5.915 -15.940 0.272 1.00 1.04 C ATOM 1623 CG GLU A 102 -6.995 -14.897 0.610 1.00 50.23 C ATOM 1624 CD GLU A 102 -7.472 -14.999 2.063 1.00 55.21 C ATOM 1625 OE1 GLU A 102 -8.297 -15.883 2.364 1.00 30.20 O ATOM 1626 OE2 GLU A 102 -7.043 -14.204 2.910 1.00 42.42 O ATOM 0 H GLU A 102 -4.479 -14.114 -0.449 1.00 0.41 H new ATOM 0 HA GLU A 102 -4.659 -15.505 1.999 1.00 50.42 H new ATOM 0 HB2 GLU A 102 -5.784 -15.968 -0.810 1.00 1.04 H new ATOM 0 HB3 GLU A 102 -6.274 -16.924 0.575 1.00 1.04 H new ATOM 0 HG2 GLU A 102 -6.600 -13.897 0.430 1.00 50.23 H new ATOM 0 HG3 GLU A 102 -7.846 -15.029 -0.059 1.00 50.23 H new ATOM 1633 N PRO A 103 -3.649 -17.863 1.857 1.00 42.13 N ATOM 1634 CA PRO A 103 -2.733 -19.034 1.946 1.00 43.20 C ATOM 1635 C PRO A 103 -2.850 -20.024 0.762 1.00 53.33 C ATOM 1636 O PRO A 103 -1.899 -20.191 -0.016 1.00 61.24 O ATOM 1637 CB PRO A 103 -3.122 -19.704 3.297 1.00 41.31 C ATOM 1638 CG PRO A 103 -3.814 -18.627 4.073 1.00 44.24 C ATOM 1639 CD PRO A 103 -4.561 -17.819 3.039 1.00 34.11 C ATOM 0 HA PRO A 103 -1.690 -18.720 1.899 1.00 43.20 H new ATOM 0 HB2 PRO A 103 -3.777 -20.561 3.139 1.00 41.31 H new ATOM 0 HB3 PRO A 103 -2.241 -20.069 3.826 1.00 41.31 H new ATOM 0 HG2 PRO A 103 -4.495 -19.049 4.812 1.00 44.24 H new ATOM 0 HG3 PRO A 103 -3.098 -18.009 4.615 1.00 44.24 H new ATOM 0 HD2 PRO A 103 -5.535 -18.253 2.814 1.00 34.11 H new ATOM 0 HD3 PRO A 103 -4.737 -16.797 3.375 1.00 34.11 H new ATOM 1647 N GLY A 104 -4.020 -20.675 0.639 1.00 63.12 N ATOM 1648 CA GLY A 104 -4.270 -21.648 -0.426 1.00 31.13 C ATOM 1649 C GLY A 104 -4.602 -20.951 -1.739 1.00 71.51 C ATOM 1650 O GLY A 104 -3.827 -21.026 -2.705 1.00 70.01 O ATOM 0 H GLY A 104 -4.809 -20.540 1.271 1.00 63.12 H new ATOM 0 HA2 GLY A 104 -3.392 -22.280 -0.558 1.00 31.13 H new ATOM 0 HA3 GLY A 104 -5.094 -22.302 -0.139 1.00 31.13 H new ATOM 1654 N ASN A 105 -5.749 -20.238 -1.751 1.00 14.23 N ATOM 1655 CA ASN A 105 -6.227 -19.481 -2.927 1.00 3.14 C ATOM 1656 C ASN A 105 -5.351 -18.232 -3.136 1.00 32.40 C ATOM 1657 O ASN A 105 -5.444 -17.280 -2.369 1.00 41.40 O ATOM 1658 CB ASN A 105 -7.710 -19.034 -2.740 1.00 40.50 C ATOM 1659 CG ASN A 105 -8.685 -20.177 -2.451 1.00 41.43 C ATOM 1660 OD1 ASN A 105 -8.467 -21.324 -2.846 1.00 62.40 O ATOM 1661 ND2 ASN A 105 -9.786 -19.868 -1.774 1.00 2.21 N ATOM 0 H ASN A 105 -6.370 -20.171 -0.944 1.00 14.23 H new ATOM 0 HA ASN A 105 -6.162 -20.134 -3.797 1.00 3.14 H new ATOM 0 HB2 ASN A 105 -7.759 -18.315 -1.922 1.00 40.50 H new ATOM 0 HB3 ASN A 105 -8.036 -18.514 -3.641 1.00 40.50 H new ATOM 0 HD21 ASN A 105 -10.478 -20.589 -1.569 1.00 2.21 H new ATOM 0 HD22 ASN A 105 -9.939 -18.910 -1.460 1.00 2.21 H new ATOM 1668 N SER A 106 -4.492 -18.244 -4.161 1.00 14.32 N ATOM 1669 CA SER A 106 -3.660 -17.086 -4.504 1.00 14.31 C ATOM 1670 C SER A 106 -4.554 -15.896 -4.932 1.00 63.53 C ATOM 1671 O SER A 106 -4.985 -15.813 -6.075 1.00 54.42 O ATOM 1672 CB SER A 106 -2.653 -17.473 -5.615 1.00 74.13 C ATOM 1673 OG SER A 106 -3.287 -18.152 -6.691 1.00 72.12 O ATOM 0 H SER A 106 -4.355 -19.049 -4.771 1.00 14.32 H new ATOM 0 HA SER A 106 -3.091 -16.774 -3.629 1.00 14.31 H new ATOM 0 HB2 SER A 106 -2.164 -16.574 -5.991 1.00 74.13 H new ATOM 0 HB3 SER A 106 -1.874 -18.108 -5.194 1.00 74.13 H new ATOM 0 HG SER A 106 -3.547 -17.504 -7.379 1.00 72.12 H new ATOM 1679 N GLU A 107 -4.904 -15.038 -3.967 1.00 5.30 N ATOM 1680 CA GLU A 107 -5.680 -13.815 -4.224 1.00 62.12 C ATOM 1681 C GLU A 107 -5.347 -12.768 -3.152 1.00 3.30 C ATOM 1682 O GLU A 107 -5.168 -13.115 -1.986 1.00 41.33 O ATOM 1683 CB GLU A 107 -7.197 -14.142 -4.257 1.00 4.00 C ATOM 1684 CG GLU A 107 -8.091 -12.950 -4.643 1.00 4.24 C ATOM 1685 CD GLU A 107 -9.537 -13.355 -4.950 1.00 53.24 C ATOM 1686 OE1 GLU A 107 -9.837 -13.685 -6.111 1.00 34.22 O ATOM 1687 OE2 GLU A 107 -10.375 -13.357 -4.031 1.00 70.13 O ATOM 0 H GLU A 107 -4.658 -15.170 -2.986 1.00 5.30 H new ATOM 0 HA GLU A 107 -5.414 -13.404 -5.198 1.00 62.12 H new ATOM 0 HB2 GLU A 107 -7.367 -14.953 -4.965 1.00 4.00 H new ATOM 0 HB3 GLU A 107 -7.500 -14.506 -3.275 1.00 4.00 H new ATOM 0 HG2 GLU A 107 -8.089 -12.224 -3.830 1.00 4.24 H new ATOM 0 HG3 GLU A 107 -7.667 -12.453 -5.515 1.00 4.24 H new ATOM 1694 N MET A 108 -5.288 -11.489 -3.554 1.00 34.21 N ATOM 1695 CA MET A 108 -4.776 -10.398 -2.716 1.00 35.42 C ATOM 1696 C MET A 108 -5.908 -9.415 -2.373 1.00 71.04 C ATOM 1697 O MET A 108 -6.707 -9.067 -3.233 1.00 10.54 O ATOM 1698 CB MET A 108 -3.624 -9.647 -3.444 1.00 13.42 C ATOM 1699 CG MET A 108 -2.981 -8.518 -2.614 1.00 32.33 C ATOM 1700 SD MET A 108 -1.651 -7.656 -3.476 1.00 64.22 S ATOM 1701 CE MET A 108 -0.479 -8.983 -3.728 1.00 33.14 C ATOM 0 H MET A 108 -5.597 -11.183 -4.477 1.00 34.21 H new ATOM 0 HA MET A 108 -4.386 -10.826 -1.793 1.00 35.42 H new ATOM 0 HB2 MET A 108 -2.852 -10.366 -3.717 1.00 13.42 H new ATOM 0 HB3 MET A 108 -4.010 -9.226 -4.372 1.00 13.42 H new ATOM 0 HG2 MET A 108 -3.751 -7.797 -2.338 1.00 32.33 H new ATOM 0 HG3 MET A 108 -2.590 -8.937 -1.687 1.00 32.33 H new ATOM 0 HE1 MET A 108 0.532 -8.612 -3.561 1.00 33.14 H new ATOM 0 HE2 MET A 108 -0.689 -9.792 -3.028 1.00 33.14 H new ATOM 0 HE3 MET A 108 -0.565 -9.355 -4.749 1.00 33.14 H new ATOM 1711 N GLN A 109 -5.963 -8.994 -1.104 1.00 50.32 N ATOM 1712 CA GLN A 109 -6.809 -7.901 -0.631 1.00 43.32 C ATOM 1713 C GLN A 109 -5.913 -6.667 -0.458 1.00 42.11 C ATOM 1714 O GLN A 109 -4.892 -6.730 0.244 1.00 23.02 O ATOM 1715 CB GLN A 109 -7.480 -8.258 0.728 1.00 52.14 C ATOM 1716 CG GLN A 109 -8.423 -9.486 0.717 1.00 25.31 C ATOM 1717 CD GLN A 109 -7.744 -10.838 0.995 1.00 54.44 C ATOM 1718 OE1 GLN A 109 -6.584 -11.067 0.655 1.00 64.21 O ATOM 1719 NE2 GLN A 109 -8.471 -11.745 1.627 1.00 31.42 N ATOM 0 H GLN A 109 -5.405 -9.417 -0.362 1.00 50.32 H new ATOM 0 HA GLN A 109 -7.605 -7.712 -1.351 1.00 43.32 H new ATOM 0 HB2 GLN A 109 -6.695 -8.434 1.463 1.00 52.14 H new ATOM 0 HB3 GLN A 109 -8.047 -7.392 1.069 1.00 52.14 H new ATOM 0 HG2 GLN A 109 -9.204 -9.330 1.461 1.00 25.31 H new ATOM 0 HG3 GLN A 109 -8.914 -9.538 -0.255 1.00 25.31 H new ATOM 0 HE21 GLN A 109 -9.431 -11.531 1.898 1.00 31.42 H new ATOM 0 HE22 GLN A 109 -8.072 -12.658 1.843 1.00 31.42 H new ATOM 1728 N ILE A 110 -6.293 -5.565 -1.110 1.00 60.45 N ATOM 1729 CA ILE A 110 -5.559 -4.285 -1.059 1.00 53.44 C ATOM 1730 C ILE A 110 -6.395 -3.313 -0.211 1.00 62.13 C ATOM 1731 O ILE A 110 -7.487 -2.935 -0.619 1.00 5.02 O ATOM 1732 CB ILE A 110 -5.316 -3.655 -2.506 1.00 61.34 C ATOM 1733 CG1 ILE A 110 -4.447 -4.589 -3.431 1.00 74.21 C ATOM 1734 CG2 ILE A 110 -4.664 -2.245 -2.388 1.00 42.21 C ATOM 1735 CD1 ILE A 110 -5.149 -5.819 -4.007 1.00 51.41 C ATOM 0 H ILE A 110 -7.127 -5.530 -1.696 1.00 60.45 H new ATOM 0 HA ILE A 110 -4.574 -4.462 -0.628 1.00 53.44 H new ATOM 0 HB ILE A 110 -6.294 -3.557 -2.978 1.00 61.34 H new ATOM 0 HG12 ILE A 110 -4.069 -3.992 -4.261 1.00 74.21 H new ATOM 0 HG13 ILE A 110 -3.582 -4.926 -2.860 1.00 74.21 H new ATOM 0 HG21 ILE A 110 -4.506 -1.832 -3.385 1.00 42.21 H new ATOM 0 HG22 ILE A 110 -5.322 -1.586 -1.822 1.00 42.21 H new ATOM 0 HG23 ILE A 110 -3.706 -2.329 -1.874 1.00 42.21 H new ATOM 0 HD11 ILE A 110 -4.449 -6.381 -4.625 1.00 51.41 H new ATOM 0 HD12 ILE A 110 -5.502 -6.451 -3.192 1.00 51.41 H new ATOM 0 HD13 ILE A 110 -5.997 -5.503 -4.615 1.00 51.41 H new ATOM 1747 N SER A 111 -5.872 -2.908 0.951 1.00 14.55 N ATOM 1748 CA SER A 111 -6.558 -1.996 1.873 1.00 11.55 C ATOM 1749 C SER A 111 -5.884 -0.625 1.784 1.00 24.22 C ATOM 1750 O SER A 111 -4.744 -0.454 2.230 1.00 14.44 O ATOM 1751 CB SER A 111 -6.511 -2.550 3.317 1.00 34.23 C ATOM 1752 OG SER A 111 -7.241 -1.728 4.216 1.00 72.34 O ATOM 0 H SER A 111 -4.954 -3.206 1.281 1.00 14.55 H new ATOM 0 HA SER A 111 -7.608 -1.902 1.597 1.00 11.55 H new ATOM 0 HB2 SER A 111 -6.920 -3.560 3.333 1.00 34.23 H new ATOM 0 HB3 SER A 111 -5.475 -2.620 3.647 1.00 34.23 H new ATOM 0 HG SER A 111 -6.623 -1.307 4.849 1.00 72.34 H new ATOM 1758 N VAL A 112 -6.594 0.335 1.184 1.00 73.03 N ATOM 1759 CA VAL A 112 -6.119 1.708 0.983 1.00 40.02 C ATOM 1760 C VAL A 112 -6.727 2.592 2.079 1.00 4.21 C ATOM 1761 O VAL A 112 -7.950 2.697 2.201 1.00 44.32 O ATOM 1762 CB VAL A 112 -6.552 2.267 -0.430 1.00 44.31 C ATOM 1763 CG1 VAL A 112 -6.072 3.725 -0.627 1.00 42.11 C ATOM 1764 CG2 VAL A 112 -6.057 1.345 -1.570 1.00 31.24 C ATOM 0 H VAL A 112 -7.533 0.177 0.817 1.00 73.03 H new ATOM 0 HA VAL A 112 -5.030 1.715 1.030 1.00 40.02 H new ATOM 0 HB VAL A 112 -7.641 2.276 -0.467 1.00 44.31 H new ATOM 0 HG11 VAL A 112 -6.385 4.082 -1.608 1.00 42.11 H new ATOM 0 HG12 VAL A 112 -6.507 4.359 0.145 1.00 42.11 H new ATOM 0 HG13 VAL A 112 -4.985 3.763 -0.557 1.00 42.11 H new ATOM 0 HG21 VAL A 112 -6.369 1.754 -2.531 1.00 31.24 H new ATOM 0 HG22 VAL A 112 -4.969 1.281 -1.539 1.00 31.24 H new ATOM 0 HG23 VAL A 112 -6.483 0.350 -1.444 1.00 31.24 H new ATOM 1774 N LYS A 113 -5.865 3.207 2.881 1.00 72.32 N ATOM 1775 CA LYS A 113 -6.238 4.097 3.981 1.00 71.21 C ATOM 1776 C LYS A 113 -5.395 5.374 3.844 1.00 61.23 C ATOM 1777 O LYS A 113 -4.252 5.308 3.397 1.00 63.51 O ATOM 1778 CB LYS A 113 -5.953 3.359 5.314 1.00 10.25 C ATOM 1779 CG LYS A 113 -6.272 4.134 6.601 1.00 33.42 C ATOM 1780 CD LYS A 113 -6.136 3.257 7.873 1.00 4.12 C ATOM 1781 CE LYS A 113 -7.135 2.088 7.916 1.00 74.52 C ATOM 1782 NZ LYS A 113 -7.060 1.304 9.181 1.00 72.52 N ATOM 0 H LYS A 113 -4.856 3.098 2.783 1.00 72.32 H new ATOM 0 HA LYS A 113 -7.294 4.368 3.961 1.00 71.21 H new ATOM 0 HB2 LYS A 113 -6.526 2.432 5.322 1.00 10.25 H new ATOM 0 HB3 LYS A 113 -4.899 3.082 5.333 1.00 10.25 H new ATOM 0 HG2 LYS A 113 -5.602 4.990 6.681 1.00 33.42 H new ATOM 0 HG3 LYS A 113 -7.287 4.528 6.542 1.00 33.42 H new ATOM 0 HD2 LYS A 113 -5.122 2.861 7.926 1.00 4.12 H new ATOM 0 HD3 LYS A 113 -6.281 3.882 8.754 1.00 4.12 H new ATOM 0 HE2 LYS A 113 -8.146 2.477 7.795 1.00 74.52 H new ATOM 0 HE3 LYS A 113 -6.946 1.425 7.072 1.00 74.52 H new ATOM 0 HZ1 LYS A 113 -7.935 0.755 9.301 1.00 72.52 H new ATOM 0 HZ2 LYS A 113 -6.247 0.656 9.140 1.00 72.52 H new ATOM 0 HZ3 LYS A 113 -6.945 1.953 9.985 1.00 72.52 H new ATOM 1796 N GLN A 114 -5.967 6.534 4.189 1.00 51.31 N ATOM 1797 CA GLN A 114 -5.298 7.838 3.998 1.00 65.32 C ATOM 1798 C GLN A 114 -5.811 8.878 4.999 1.00 5.32 C ATOM 1799 O GLN A 114 -6.898 8.720 5.576 1.00 54.35 O ATOM 1800 CB GLN A 114 -5.483 8.310 2.522 1.00 54.43 C ATOM 1801 CG GLN A 114 -6.933 8.228 1.990 1.00 75.42 C ATOM 1802 CD GLN A 114 -7.045 8.358 0.463 1.00 50.21 C ATOM 1803 OE1 GLN A 114 -6.133 8.009 -0.279 1.00 43.43 O ATOM 1804 NE2 GLN A 114 -8.188 8.791 -0.020 1.00 22.33 N ATOM 0 H GLN A 114 -6.896 6.602 4.604 1.00 51.31 H new ATOM 0 HA GLN A 114 -4.231 7.721 4.190 1.00 65.32 H new ATOM 0 HB2 GLN A 114 -5.139 9.341 2.440 1.00 54.43 H new ATOM 0 HB3 GLN A 114 -4.841 7.707 1.880 1.00 54.43 H new ATOM 0 HG2 GLN A 114 -7.369 7.277 2.297 1.00 75.42 H new ATOM 0 HG3 GLN A 114 -7.526 9.015 2.456 1.00 75.42 H new ATOM 0 HE21 GLN A 114 -8.934 9.077 0.614 1.00 22.33 H new ATOM 0 HE22 GLN A 114 -8.329 8.841 -1.029 1.00 22.33 H new ATOM 1813 N ASN A 115 -4.996 9.938 5.188 1.00 12.44 N ATOM 1814 CA ASN A 115 -5.281 11.046 6.110 1.00 73.11 C ATOM 1815 C ASN A 115 -6.474 11.852 5.573 1.00 22.54 C ATOM 1816 O ASN A 115 -7.573 11.802 6.132 1.00 73.24 O ATOM 1817 CB ASN A 115 -4.018 11.936 6.290 1.00 44.44 C ATOM 1818 CG ASN A 115 -4.231 13.088 7.276 1.00 23.53 C ATOM 1819 OD1 ASN A 115 -4.690 14.169 6.906 1.00 22.12 O ATOM 1820 ND2 ASN A 115 -3.902 12.877 8.537 1.00 10.42 N ATOM 0 H ASN A 115 -4.110 10.045 4.694 1.00 12.44 H new ATOM 0 HA ASN A 115 -5.543 10.655 7.093 1.00 73.11 H new ATOM 0 HB2 ASN A 115 -3.191 11.317 6.637 1.00 44.44 H new ATOM 0 HB3 ASN A 115 -3.727 12.343 5.322 1.00 44.44 H new ATOM 0 HD21 ASN A 115 -4.026 13.618 9.227 1.00 10.42 H new ATOM 0 HD22 ASN A 115 -3.523 11.973 8.821 1.00 10.42 H new ATOM 1827 N GLU A 116 -6.256 12.558 4.452 1.00 14.51 N ATOM 1828 CA GLU A 116 -7.310 13.307 3.758 1.00 2.04 C ATOM 1829 C GLU A 116 -7.788 12.489 2.561 1.00 31.51 C ATOM 1830 O GLU A 116 -7.037 12.314 1.587 1.00 71.23 O ATOM 1831 CB GLU A 116 -6.787 14.686 3.283 1.00 74.02 C ATOM 1832 CG GLU A 116 -6.248 15.576 4.406 1.00 30.05 C ATOM 1833 CD GLU A 116 -5.985 17.016 3.961 1.00 2.41 C ATOM 1834 OE1 GLU A 116 -5.041 17.249 3.178 1.00 53.41 O ATOM 1835 OE2 GLU A 116 -6.722 17.922 4.395 1.00 72.31 O ATOM 0 H GLU A 116 -5.343 12.624 4.003 1.00 14.51 H new ATOM 0 HA GLU A 116 -8.137 13.481 4.446 1.00 2.04 H new ATOM 0 HB2 GLU A 116 -5.997 14.529 2.549 1.00 74.02 H new ATOM 0 HB3 GLU A 116 -7.595 15.212 2.774 1.00 74.02 H new ATOM 0 HG2 GLU A 116 -6.961 15.582 5.230 1.00 30.05 H new ATOM 0 HG3 GLU A 116 -5.322 15.146 4.789 1.00 30.05 H new ATOM 1842 N ALA A 117 -9.017 11.958 2.649 1.00 43.53 N ATOM 1843 CA ALA A 117 -9.634 11.256 1.532 1.00 64.33 C ATOM 1844 C ALA A 117 -10.227 12.289 0.570 1.00 73.54 C ATOM 1845 O ALA A 117 -11.160 13.018 0.918 1.00 71.33 O ATOM 1846 CB ALA A 117 -10.716 10.272 2.037 1.00 30.51 C ATOM 0 H ALA A 117 -9.597 12.006 3.486 1.00 43.53 H new ATOM 0 HA ALA A 117 -8.883 10.666 1.006 1.00 64.33 H new ATOM 0 HB1 ALA A 117 -11.165 9.758 1.187 1.00 30.51 H new ATOM 0 HB2 ALA A 117 -10.260 9.541 2.704 1.00 30.51 H new ATOM 0 HB3 ALA A 117 -11.487 10.824 2.576 1.00 30.51 H new ATOM 1852 N ARG A 118 -9.620 12.380 -0.617 1.00 61.11 N ATOM 1853 CA ARG A 118 -10.143 13.133 -1.764 1.00 25.41 C ATOM 1854 C ARG A 118 -10.530 12.121 -2.833 1.00 44.40 C ATOM 1855 O ARG A 118 -9.989 11.012 -2.846 1.00 60.41 O ATOM 1856 CB ARG A 118 -9.078 14.117 -2.331 1.00 34.51 C ATOM 1857 CG ARG A 118 -8.492 15.071 -1.283 1.00 40.44 C ATOM 1858 CD ARG A 118 -7.375 15.965 -1.837 1.00 51.53 C ATOM 1859 NE ARG A 118 -6.600 16.607 -0.755 1.00 12.32 N ATOM 1860 CZ ARG A 118 -5.285 16.906 -0.819 1.00 35.20 C ATOM 1861 NH1 ARG A 118 -4.579 16.632 -1.918 1.00 50.23 N ATOM 1862 NH2 ARG A 118 -4.680 17.474 0.221 1.00 62.21 N ATOM 0 H ARG A 118 -8.730 11.922 -0.813 1.00 61.11 H new ATOM 0 HA ARG A 118 -11.001 13.729 -1.452 1.00 25.41 H new ATOM 0 HB2 ARG A 118 -8.267 13.541 -2.777 1.00 34.51 H new ATOM 0 HB3 ARG A 118 -9.530 14.704 -3.130 1.00 34.51 H new ATOM 0 HG2 ARG A 118 -9.289 15.700 -0.887 1.00 40.44 H new ATOM 0 HG3 ARG A 118 -8.102 14.488 -0.448 1.00 40.44 H new ATOM 0 HD2 ARG A 118 -6.707 15.369 -2.459 1.00 51.53 H new ATOM 0 HD3 ARG A 118 -7.808 16.732 -2.479 1.00 51.53 H new ATOM 0 HE ARG A 118 -7.096 16.842 0.105 1.00 12.32 H new ATOM 0 HH11 ARG A 118 -5.032 16.193 -2.719 1.00 50.23 H new ATOM 0 HH12 ARG A 118 -3.586 16.862 -1.957 1.00 50.23 H new ATOM 0 HH21 ARG A 118 -5.210 17.684 1.067 1.00 62.21 H new ATOM 0 HH22 ARG A 118 -3.686 17.700 0.172 1.00 62.21 H new ATOM 1876 N THR A 119 -11.455 12.496 -3.716 1.00 42.00 N ATOM 1877 CA THR A 119 -11.774 11.708 -4.915 1.00 74.35 C ATOM 1878 C THR A 119 -10.534 11.660 -5.843 1.00 51.30 C ATOM 1879 O THR A 119 -10.247 10.637 -6.473 1.00 72.34 O ATOM 1880 CB THR A 119 -13.014 12.325 -5.655 1.00 33.13 C ATOM 1881 OG1 THR A 119 -14.069 12.573 -4.698 1.00 12.53 O ATOM 1882 CG2 THR A 119 -13.548 11.407 -6.772 1.00 52.11 C ATOM 0 H THR A 119 -12.005 13.350 -3.625 1.00 42.00 H new ATOM 0 HA THR A 119 -12.032 10.689 -4.626 1.00 74.35 H new ATOM 0 HB THR A 119 -12.688 13.255 -6.120 1.00 33.13 H new ATOM 0 HG1 THR A 119 -14.843 12.960 -5.158 1.00 12.53 H new ATOM 0 HG21 THR A 119 -14.405 11.879 -7.252 1.00 52.11 H new ATOM 0 HG22 THR A 119 -12.764 11.239 -7.511 1.00 52.11 H new ATOM 0 HG23 THR A 119 -13.853 10.452 -6.344 1.00 52.11 H new ATOM 1890 N GLU A 120 -9.771 12.777 -5.834 1.00 11.03 N ATOM 1891 CA GLU A 120 -8.562 12.950 -6.651 1.00 25.04 C ATOM 1892 C GLU A 120 -7.424 12.042 -6.144 1.00 70.12 C ATOM 1893 O GLU A 120 -6.910 11.208 -6.897 1.00 42.31 O ATOM 1894 CB GLU A 120 -8.115 14.441 -6.602 1.00 52.30 C ATOM 1895 CG GLU A 120 -6.949 14.809 -7.545 1.00 54.41 C ATOM 1896 CD GLU A 120 -7.281 14.605 -9.041 1.00 43.54 C ATOM 1897 OE1 GLU A 120 -7.852 15.526 -9.670 1.00 21.02 O ATOM 1898 OE2 GLU A 120 -6.989 13.517 -9.589 1.00 23.32 O ATOM 0 H GLU A 120 -9.985 13.587 -5.252 1.00 11.03 H new ATOM 0 HA GLU A 120 -8.789 12.669 -7.679 1.00 25.04 H new ATOM 0 HB2 GLU A 120 -8.972 15.069 -6.847 1.00 52.30 H new ATOM 0 HB3 GLU A 120 -7.825 14.683 -5.580 1.00 52.30 H new ATOM 0 HG2 GLU A 120 -6.673 15.851 -7.380 1.00 54.41 H new ATOM 0 HG3 GLU A 120 -6.079 14.205 -7.288 1.00 54.41 H new ATOM 1905 N THR A 121 -7.075 12.172 -4.840 1.00 54.35 N ATOM 1906 CA THR A 121 -5.956 11.414 -4.243 1.00 34.21 C ATOM 1907 C THR A 121 -6.266 9.911 -4.181 1.00 44.51 C ATOM 1908 O THR A 121 -5.397 9.099 -4.491 1.00 42.21 O ATOM 1909 CB THR A 121 -5.567 11.934 -2.817 1.00 12.15 C ATOM 1910 OG1 THR A 121 -6.720 11.933 -1.955 1.00 64.51 O ATOM 1911 CG2 THR A 121 -4.946 13.348 -2.873 1.00 22.33 C ATOM 0 H THR A 121 -7.553 12.793 -4.187 1.00 54.35 H new ATOM 0 HA THR A 121 -5.101 11.575 -4.900 1.00 34.21 H new ATOM 0 HB THR A 121 -4.814 11.257 -2.413 1.00 12.15 H new ATOM 0 HG1 THR A 121 -6.464 12.258 -1.067 1.00 64.51 H new ATOM 0 HG21 THR A 121 -4.690 13.673 -1.865 1.00 22.33 H new ATOM 0 HG22 THR A 121 -4.046 13.326 -3.487 1.00 22.33 H new ATOM 0 HG23 THR A 121 -5.664 14.044 -3.307 1.00 22.33 H new ATOM 1919 N LEU A 122 -7.516 9.557 -3.792 1.00 74.51 N ATOM 1920 CA LEU A 122 -7.929 8.147 -3.677 1.00 13.02 C ATOM 1921 C LEU A 122 -7.848 7.438 -5.037 1.00 14.13 C ATOM 1922 O LEU A 122 -7.096 6.474 -5.166 1.00 41.41 O ATOM 1923 CB LEU A 122 -9.360 8.005 -3.083 1.00 4.34 C ATOM 1924 CG LEU A 122 -9.798 6.550 -2.708 1.00 10.13 C ATOM 1925 CD1 LEU A 122 -8.786 5.880 -1.754 1.00 11.32 C ATOM 1926 CD2 LEU A 122 -11.225 6.522 -2.118 1.00 13.25 C ATOM 0 H LEU A 122 -8.247 10.228 -3.555 1.00 74.51 H new ATOM 0 HA LEU A 122 -7.234 7.668 -2.988 1.00 13.02 H new ATOM 0 HB2 LEU A 122 -9.426 8.626 -2.190 1.00 4.34 H new ATOM 0 HB3 LEU A 122 -10.074 8.405 -3.803 1.00 4.34 H new ATOM 0 HG LEU A 122 -9.812 5.970 -3.631 1.00 10.13 H new ATOM 0 HD11 LEU A 122 -9.123 4.871 -1.516 1.00 11.32 H new ATOM 0 HD12 LEU A 122 -7.809 5.832 -2.235 1.00 11.32 H new ATOM 0 HD13 LEU A 122 -8.710 6.463 -0.836 1.00 11.32 H new ATOM 0 HD21 LEU A 122 -11.496 5.496 -1.869 1.00 13.25 H new ATOM 0 HD22 LEU A 122 -11.258 7.135 -1.217 1.00 13.25 H new ATOM 0 HD23 LEU A 122 -11.929 6.916 -2.851 1.00 13.25 H new ATOM 1938 N ASN A 123 -8.547 7.984 -6.067 1.00 21.24 N ATOM 1939 CA ASN A 123 -8.636 7.326 -7.397 1.00 33.24 C ATOM 1940 C ASN A 123 -7.243 7.189 -8.031 1.00 41.13 C ATOM 1941 O ASN A 123 -6.928 6.159 -8.633 1.00 62.43 O ATOM 1942 CB ASN A 123 -9.594 8.087 -8.360 1.00 55.45 C ATOM 1943 CG ASN A 123 -11.072 7.883 -8.017 1.00 62.20 C ATOM 1944 OD1 ASN A 123 -11.473 6.829 -7.516 1.00 62.32 O ATOM 1945 ND2 ASN A 123 -11.894 8.887 -8.272 1.00 2.24 N ATOM 0 H ASN A 123 -9.052 8.868 -6.003 1.00 21.24 H new ATOM 0 HA ASN A 123 -9.051 6.331 -7.236 1.00 33.24 H new ATOM 0 HB2 ASN A 123 -9.363 9.152 -8.328 1.00 55.45 H new ATOM 0 HB3 ASN A 123 -9.414 7.753 -9.382 1.00 55.45 H new ATOM 0 HD21 ASN A 123 -12.887 8.801 -8.054 1.00 2.24 H new ATOM 0 HD22 ASN A 123 -11.535 9.747 -8.687 1.00 2.24 H new ATOM 1952 N SER A 124 -6.403 8.221 -7.843 1.00 32.15 N ATOM 1953 CA SER A 124 -5.028 8.228 -8.371 1.00 53.14 C ATOM 1954 C SER A 124 -4.120 7.216 -7.645 1.00 1.51 C ATOM 1955 O SER A 124 -3.284 6.573 -8.278 1.00 3.52 O ATOM 1956 CB SER A 124 -4.434 9.643 -8.291 1.00 15.41 C ATOM 1957 OG SER A 124 -5.216 10.556 -9.041 1.00 25.31 O ATOM 0 H SER A 124 -6.654 9.064 -7.327 1.00 32.15 H new ATOM 0 HA SER A 124 -5.078 7.921 -9.416 1.00 53.14 H new ATOM 0 HB2 SER A 124 -4.387 9.965 -7.251 1.00 15.41 H new ATOM 0 HB3 SER A 124 -3.412 9.636 -8.669 1.00 15.41 H new ATOM 0 HG SER A 124 -5.906 10.946 -8.465 1.00 25.31 H new ATOM 1963 N PHE A 125 -4.308 7.075 -6.318 1.00 73.30 N ATOM 1964 CA PHE A 125 -3.486 6.173 -5.480 1.00 33.42 C ATOM 1965 C PHE A 125 -3.795 4.704 -5.811 1.00 11.22 C ATOM 1966 O PHE A 125 -2.888 3.867 -5.880 1.00 2.12 O ATOM 1967 CB PHE A 125 -3.725 6.458 -3.972 1.00 51.22 C ATOM 1968 CG PHE A 125 -2.727 5.773 -3.044 1.00 5.42 C ATOM 1969 CD1 PHE A 125 -1.429 6.265 -2.916 1.00 33.24 C ATOM 1970 CD2 PHE A 125 -3.079 4.649 -2.299 1.00 13.30 C ATOM 1971 CE1 PHE A 125 -0.521 5.654 -2.074 1.00 42.12 C ATOM 1972 CE2 PHE A 125 -2.170 4.043 -1.456 1.00 30.54 C ATOM 1973 CZ PHE A 125 -0.892 4.545 -1.343 1.00 45.31 C ATOM 0 H PHE A 125 -5.027 7.578 -5.798 1.00 73.30 H new ATOM 0 HA PHE A 125 -2.435 6.361 -5.699 1.00 33.42 H new ATOM 0 HB2 PHE A 125 -3.681 7.534 -3.805 1.00 51.22 H new ATOM 0 HB3 PHE A 125 -4.732 6.135 -3.707 1.00 51.22 H new ATOM 0 HD1 PHE A 125 -1.130 7.135 -3.482 1.00 33.24 H new ATOM 0 HD2 PHE A 125 -4.078 4.246 -2.383 1.00 13.30 H new ATOM 0 HE1 PHE A 125 0.482 6.045 -1.988 1.00 42.12 H new ATOM 0 HE2 PHE A 125 -2.461 3.174 -0.884 1.00 30.54 H new ATOM 0 HZ PHE A 125 -0.181 4.070 -0.683 1.00 45.31 H new ATOM 1983 N ILE A 126 -5.096 4.430 -6.041 1.00 64.22 N ATOM 1984 CA ILE A 126 -5.591 3.111 -6.464 1.00 0.41 C ATOM 1985 C ILE A 126 -5.027 2.781 -7.859 1.00 42.41 C ATOM 1986 O ILE A 126 -4.577 1.666 -8.089 1.00 13.23 O ATOM 1987 CB ILE A 126 -7.163 3.076 -6.513 1.00 3.44 C ATOM 1988 CG1 ILE A 126 -7.776 3.509 -5.148 1.00 53.25 C ATOM 1989 CG2 ILE A 126 -7.679 1.675 -6.909 1.00 14.15 C ATOM 1990 CD1 ILE A 126 -9.245 3.864 -5.224 1.00 3.02 C ATOM 0 H ILE A 126 -5.835 5.125 -5.937 1.00 64.22 H new ATOM 0 HA ILE A 126 -5.258 2.371 -5.736 1.00 0.41 H new ATOM 0 HB ILE A 126 -7.481 3.787 -7.276 1.00 3.44 H new ATOM 0 HG12 ILE A 126 -7.644 2.701 -4.428 1.00 53.25 H new ATOM 0 HG13 ILE A 126 -7.223 4.368 -4.768 1.00 53.25 H new ATOM 0 HG21 ILE A 126 -8.769 1.682 -6.934 1.00 14.15 H new ATOM 0 HG22 ILE A 126 -7.295 1.411 -7.894 1.00 14.15 H new ATOM 0 HG23 ILE A 126 -7.338 0.942 -6.178 1.00 14.15 H new ATOM 0 HD11 ILE A 126 -9.601 4.155 -4.236 1.00 3.02 H new ATOM 0 HD12 ILE A 126 -9.384 4.693 -5.918 1.00 3.02 H new ATOM 0 HD13 ILE A 126 -9.811 3.000 -5.573 1.00 3.02 H new ATOM 2002 N SER A 127 -5.020 3.802 -8.757 1.00 30.44 N ATOM 2003 CA SER A 127 -4.470 3.679 -10.123 1.00 14.51 C ATOM 2004 C SER A 127 -2.991 3.252 -10.094 1.00 22.32 C ATOM 2005 O SER A 127 -2.586 2.361 -10.845 1.00 23.33 O ATOM 2006 CB SER A 127 -4.623 5.010 -10.900 1.00 50.43 C ATOM 2007 OG SER A 127 -5.990 5.346 -11.075 1.00 75.42 O ATOM 0 H SER A 127 -5.395 4.728 -8.550 1.00 30.44 H new ATOM 0 HA SER A 127 -5.040 2.905 -10.637 1.00 14.51 H new ATOM 0 HB2 SER A 127 -4.115 5.810 -10.361 1.00 50.43 H new ATOM 0 HB3 SER A 127 -4.139 4.924 -11.873 1.00 50.43 H new ATOM 0 HG SER A 127 -6.383 5.581 -10.208 1.00 75.42 H new ATOM 2013 N VAL A 128 -2.211 3.886 -9.187 1.00 42.42 N ATOM 2014 CA VAL A 128 -0.786 3.574 -8.986 1.00 42.40 C ATOM 2015 C VAL A 128 -0.611 2.099 -8.568 1.00 51.44 C ATOM 2016 O VAL A 128 0.090 1.340 -9.245 1.00 15.32 O ATOM 2017 CB VAL A 128 -0.125 4.538 -7.918 1.00 22.33 C ATOM 2018 CG1 VAL A 128 1.328 4.122 -7.582 1.00 1.11 C ATOM 2019 CG2 VAL A 128 -0.171 6.007 -8.402 1.00 41.53 C ATOM 0 H VAL A 128 -2.557 4.627 -8.577 1.00 42.42 H new ATOM 0 HA VAL A 128 -0.274 3.733 -9.935 1.00 42.40 H new ATOM 0 HB VAL A 128 -0.709 4.453 -7.002 1.00 22.33 H new ATOM 0 HG11 VAL A 128 1.743 4.810 -6.846 1.00 1.11 H new ATOM 0 HG12 VAL A 128 1.332 3.111 -7.176 1.00 1.11 H new ATOM 0 HG13 VAL A 128 1.934 4.152 -8.488 1.00 1.11 H new ATOM 0 HG21 VAL A 128 0.289 6.652 -7.653 1.00 41.53 H new ATOM 0 HG22 VAL A 128 0.374 6.098 -9.342 1.00 41.53 H new ATOM 0 HG23 VAL A 128 -1.208 6.308 -8.553 1.00 41.53 H new ATOM 2029 N LEU A 129 -1.305 1.701 -7.474 1.00 60.11 N ATOM 2030 CA LEU A 129 -1.272 0.318 -6.940 1.00 34.35 C ATOM 2031 C LEU A 129 -1.678 -0.737 -7.999 1.00 64.24 C ATOM 2032 O LEU A 129 -1.021 -1.770 -8.125 1.00 64.40 O ATOM 2033 CB LEU A 129 -2.179 0.190 -5.686 1.00 52.43 C ATOM 2034 CG LEU A 129 -1.798 1.097 -4.475 1.00 71.44 C ATOM 2035 CD1 LEU A 129 -2.794 0.896 -3.322 1.00 51.42 C ATOM 2036 CD2 LEU A 129 -0.335 0.861 -4.011 1.00 1.12 C ATOM 0 H LEU A 129 -1.903 2.330 -6.938 1.00 60.11 H new ATOM 0 HA LEU A 129 -0.238 0.117 -6.659 1.00 34.35 H new ATOM 0 HB2 LEU A 129 -3.204 0.418 -5.978 1.00 52.43 H new ATOM 0 HB3 LEU A 129 -2.165 -0.849 -5.356 1.00 52.43 H new ATOM 0 HG LEU A 129 -1.858 2.135 -4.803 1.00 71.44 H new ATOM 0 HD11 LEU A 129 -2.515 1.535 -2.485 1.00 51.42 H new ATOM 0 HD12 LEU A 129 -3.798 1.156 -3.659 1.00 51.42 H new ATOM 0 HD13 LEU A 129 -2.777 -0.146 -3.004 1.00 51.42 H new ATOM 0 HD21 LEU A 129 -0.112 1.513 -3.166 1.00 1.12 H new ATOM 0 HD22 LEU A 129 -0.212 -0.179 -3.709 1.00 1.12 H new ATOM 0 HD23 LEU A 129 0.347 1.084 -4.831 1.00 1.12 H new ATOM 2048 N GLU A 130 -2.746 -0.439 -8.773 1.00 33.44 N ATOM 2049 CA GLU A 130 -3.251 -1.328 -9.845 1.00 72.20 C ATOM 2050 C GLU A 130 -2.203 -1.508 -10.952 1.00 44.15 C ATOM 2051 O GLU A 130 -2.060 -2.602 -11.488 1.00 73.23 O ATOM 2052 CB GLU A 130 -4.570 -0.780 -10.453 1.00 65.30 C ATOM 2053 CG GLU A 130 -5.795 -0.846 -9.519 1.00 62.34 C ATOM 2054 CD GLU A 130 -7.041 -0.201 -10.146 1.00 13.24 C ATOM 2055 OE1 GLU A 130 -7.110 1.043 -10.211 1.00 11.05 O ATOM 2056 OE2 GLU A 130 -7.953 -0.930 -10.596 1.00 3.40 O ATOM 0 H GLU A 130 -3.282 0.423 -8.673 1.00 33.44 H new ATOM 0 HA GLU A 130 -3.453 -2.299 -9.393 1.00 72.20 H new ATOM 0 HB2 GLU A 130 -4.413 0.257 -10.748 1.00 65.30 H new ATOM 0 HB3 GLU A 130 -4.794 -1.340 -11.361 1.00 65.30 H new ATOM 0 HG2 GLU A 130 -6.010 -1.887 -9.278 1.00 62.34 H new ATOM 0 HG3 GLU A 130 -5.561 -0.343 -8.581 1.00 62.34 H new ATOM 2063 N THR A 131 -1.483 -0.421 -11.287 1.00 3.33 N ATOM 2064 CA THR A 131 -0.425 -0.446 -12.313 1.00 25.21 C ATOM 2065 C THR A 131 0.804 -1.257 -11.828 1.00 22.40 C ATOM 2066 O THR A 131 1.366 -2.038 -12.588 1.00 11.13 O ATOM 2067 CB THR A 131 0.005 1.006 -12.712 1.00 24.42 C ATOM 2068 OG1 THR A 131 -1.149 1.753 -13.130 1.00 51.13 O ATOM 2069 CG2 THR A 131 1.045 1.031 -13.851 1.00 51.13 C ATOM 0 H THR A 131 -1.617 0.494 -10.857 1.00 3.33 H new ATOM 0 HA THR A 131 -0.834 -0.939 -13.195 1.00 25.21 H new ATOM 0 HB THR A 131 0.465 1.451 -11.830 1.00 24.42 H new ATOM 0 HG1 THR A 131 -1.654 2.042 -12.342 1.00 51.13 H new ATOM 0 HG21 THR A 131 1.305 2.064 -14.084 1.00 51.13 H new ATOM 0 HG22 THR A 131 1.940 0.494 -13.538 1.00 51.13 H new ATOM 0 HG23 THR A 131 0.626 0.553 -14.737 1.00 51.13 H new ATOM 2077 N VAL A 132 1.172 -1.085 -10.539 1.00 62.11 N ATOM 2078 CA VAL A 132 2.351 -1.740 -9.915 1.00 54.42 C ATOM 2079 C VAL A 132 2.144 -3.264 -9.782 1.00 64.21 C ATOM 2080 O VAL A 132 2.998 -4.065 -10.193 1.00 2.45 O ATOM 2081 CB VAL A 132 2.655 -1.085 -8.511 1.00 74.03 C ATOM 2082 CG1 VAL A 132 3.743 -1.857 -7.729 1.00 73.25 C ATOM 2083 CG2 VAL A 132 3.059 0.396 -8.700 1.00 35.35 C ATOM 0 H VAL A 132 0.658 -0.484 -9.895 1.00 62.11 H new ATOM 0 HA VAL A 132 3.212 -1.586 -10.566 1.00 54.42 H new ATOM 0 HB VAL A 132 1.744 -1.136 -7.914 1.00 74.03 H new ATOM 0 HG11 VAL A 132 3.917 -1.369 -6.770 1.00 73.25 H new ATOM 0 HG12 VAL A 132 3.411 -2.881 -7.559 1.00 73.25 H new ATOM 0 HG13 VAL A 132 4.668 -1.866 -8.305 1.00 73.25 H new ATOM 0 HG21 VAL A 132 3.268 0.843 -7.728 1.00 35.35 H new ATOM 0 HG22 VAL A 132 3.950 0.453 -9.325 1.00 35.35 H new ATOM 0 HG23 VAL A 132 2.244 0.937 -9.181 1.00 35.35 H new ATOM 2093 N ILE A 133 0.977 -3.639 -9.226 1.00 70.32 N ATOM 2094 CA ILE A 133 0.536 -5.044 -9.107 1.00 52.42 C ATOM 2095 C ILE A 133 0.265 -5.610 -10.522 1.00 32.12 C ATOM 2096 O ILE A 133 0.551 -6.778 -10.812 1.00 40.25 O ATOM 2097 CB ILE A 133 -0.757 -5.151 -8.197 1.00 3.10 C ATOM 2098 CG1 ILE A 133 -0.435 -4.651 -6.747 1.00 3.44 C ATOM 2099 CG2 ILE A 133 -1.355 -6.588 -8.179 1.00 11.21 C ATOM 2100 CD1 ILE A 133 -1.621 -4.639 -5.807 1.00 52.53 C ATOM 0 H ILE A 133 0.307 -2.971 -8.843 1.00 70.32 H new ATOM 0 HA ILE A 133 1.321 -5.631 -8.630 1.00 52.42 H new ATOM 0 HB ILE A 133 -1.521 -4.507 -8.632 1.00 3.10 H new ATOM 0 HG12 ILE A 133 0.342 -5.286 -6.322 1.00 3.44 H new ATOM 0 HG13 ILE A 133 -0.025 -3.643 -6.807 1.00 3.44 H new ATOM 0 HG21 ILE A 133 -2.239 -6.606 -7.541 1.00 11.21 H new ATOM 0 HG22 ILE A 133 -1.633 -6.879 -9.192 1.00 11.21 H new ATOM 0 HG23 ILE A 133 -0.613 -7.286 -7.791 1.00 11.21 H new ATOM 0 HD11 ILE A 133 -1.305 -4.279 -4.828 1.00 52.53 H new ATOM 0 HD12 ILE A 133 -2.393 -3.980 -6.204 1.00 52.53 H new ATOM 0 HD13 ILE A 133 -2.020 -5.649 -5.711 1.00 52.53 H new ATOM 2112 N GLY A 134 -0.241 -4.715 -11.399 1.00 74.02 N ATOM 2113 CA GLY A 134 -0.508 -5.009 -12.803 1.00 74.12 C ATOM 2114 C GLY A 134 0.729 -5.420 -13.583 1.00 32.34 C ATOM 2115 O GLY A 134 0.682 -6.371 -14.352 1.00 24.34 O ATOM 0 H GLY A 134 -0.475 -3.758 -11.136 1.00 74.02 H new ATOM 0 HA2 GLY A 134 -1.248 -5.807 -12.864 1.00 74.12 H new ATOM 0 HA3 GLY A 134 -0.948 -4.129 -13.273 1.00 74.12 H new ATOM 2119 N THR A 135 1.868 -4.742 -13.317 1.00 60.21 N ATOM 2120 CA THR A 135 3.154 -5.000 -14.015 1.00 60.03 C ATOM 2121 C THR A 135 3.609 -6.478 -13.847 1.00 24.31 C ATOM 2122 O THR A 135 4.367 -7.019 -14.666 1.00 33.10 O ATOM 2123 CB THR A 135 4.278 -4.034 -13.497 1.00 50.20 C ATOM 2124 OG1 THR A 135 3.785 -2.690 -13.469 1.00 21.31 O ATOM 2125 CG2 THR A 135 5.533 -4.066 -14.386 1.00 13.12 C ATOM 0 H THR A 135 1.925 -4.003 -12.616 1.00 60.21 H new ATOM 0 HA THR A 135 2.987 -4.812 -15.076 1.00 60.03 H new ATOM 0 HB THR A 135 4.553 -4.374 -12.499 1.00 50.20 H new ATOM 0 HG1 THR A 135 3.069 -2.618 -12.804 1.00 21.31 H new ATOM 0 HG21 THR A 135 6.280 -3.381 -13.985 1.00 13.12 H new ATOM 0 HG22 THR A 135 5.940 -5.077 -14.404 1.00 13.12 H new ATOM 0 HG23 THR A 135 5.269 -3.763 -15.399 1.00 13.12 H new ATOM 2133 N ILE A 136 3.090 -7.122 -12.787 1.00 32.43 N ATOM 2134 CA ILE A 136 3.378 -8.515 -12.440 1.00 74.51 C ATOM 2135 C ILE A 136 2.190 -9.427 -12.858 1.00 44.25 C ATOM 2136 O ILE A 136 2.389 -10.542 -13.354 1.00 0.33 O ATOM 2137 CB ILE A 136 3.647 -8.648 -10.893 1.00 43.11 C ATOM 2138 CG1 ILE A 136 4.637 -7.540 -10.398 1.00 23.33 C ATOM 2139 CG2 ILE A 136 4.189 -10.055 -10.545 1.00 41.23 C ATOM 2140 CD1 ILE A 136 4.891 -7.556 -8.905 1.00 61.35 C ATOM 0 H ILE A 136 2.445 -6.674 -12.136 1.00 32.43 H new ATOM 0 HA ILE A 136 4.271 -8.832 -12.978 1.00 74.51 H new ATOM 0 HB ILE A 136 2.697 -8.511 -10.377 1.00 43.11 H new ATOM 0 HG12 ILE A 136 5.587 -7.659 -10.918 1.00 23.33 H new ATOM 0 HG13 ILE A 136 4.241 -6.564 -10.677 1.00 23.33 H new ATOM 0 HG21 ILE A 136 4.367 -10.121 -9.472 1.00 41.23 H new ATOM 0 HG22 ILE A 136 3.459 -10.809 -10.839 1.00 41.23 H new ATOM 0 HG23 ILE A 136 5.124 -10.227 -11.079 1.00 41.23 H new ATOM 0 HD11 ILE A 136 5.587 -6.758 -8.646 1.00 61.35 H new ATOM 0 HD12 ILE A 136 3.951 -7.405 -8.374 1.00 61.35 H new ATOM 0 HD13 ILE A 136 5.318 -8.517 -8.619 1.00 61.35 H new ATOM 2152 N GLU A 137 0.960 -8.915 -12.699 1.00 71.44 N ATOM 2153 CA GLU A 137 -0.274 -9.705 -12.828 1.00 62.52 C ATOM 2154 C GLU A 137 -1.410 -8.835 -13.429 1.00 64.32 C ATOM 2155 O GLU A 137 -1.792 -7.830 -12.823 1.00 21.51 O ATOM 2156 CB GLU A 137 -0.633 -10.226 -11.416 1.00 25.31 C ATOM 2157 CG GLU A 137 -1.973 -10.961 -11.296 1.00 64.32 C ATOM 2158 CD GLU A 137 -2.060 -12.241 -12.144 1.00 13.43 C ATOM 2159 OE1 GLU A 137 -1.563 -13.292 -11.698 1.00 34.13 O ATOM 2160 OE2 GLU A 137 -2.610 -12.199 -13.267 1.00 2.45 O ATOM 0 H GLU A 137 0.793 -7.934 -12.476 1.00 71.44 H new ATOM 0 HA GLU A 137 -0.136 -10.547 -13.506 1.00 62.52 H new ATOM 0 HB2 GLU A 137 0.159 -10.898 -11.085 1.00 25.31 H new ATOM 0 HB3 GLU A 137 -0.641 -9.380 -10.729 1.00 25.31 H new ATOM 0 HG2 GLU A 137 -2.143 -11.217 -10.250 1.00 64.32 H new ATOM 0 HG3 GLU A 137 -2.775 -10.285 -11.593 1.00 64.32 H new ATOM 2167 N GLU A 138 -1.934 -9.263 -14.612 1.00 72.23 N ATOM 2168 CA GLU A 138 -2.966 -8.534 -15.418 1.00 54.40 C ATOM 2169 C GLU A 138 -2.409 -7.261 -16.099 1.00 2.33 C ATOM 2170 O GLU A 138 -1.232 -6.956 -15.991 1.00 23.41 O ATOM 2171 CB GLU A 138 -4.246 -8.204 -14.579 1.00 42.11 C ATOM 2172 CG GLU A 138 -5.118 -9.420 -14.231 1.00 60.20 C ATOM 2173 CD GLU A 138 -5.667 -10.118 -15.484 1.00 14.04 C ATOM 2174 OE1 GLU A 138 -6.724 -9.707 -15.995 1.00 24.33 O ATOM 2175 OE2 GLU A 138 -5.040 -11.081 -15.971 1.00 61.14 O ATOM 0 H GLU A 138 -1.648 -10.142 -15.044 1.00 72.23 H new ATOM 0 HA GLU A 138 -3.256 -9.221 -16.213 1.00 54.40 H new ATOM 0 HB2 GLU A 138 -3.941 -7.716 -13.653 1.00 42.11 H new ATOM 0 HB3 GLU A 138 -4.852 -7.487 -15.133 1.00 42.11 H new ATOM 0 HG2 GLU A 138 -4.532 -10.131 -13.649 1.00 60.20 H new ATOM 0 HG3 GLU A 138 -5.949 -9.101 -13.602 1.00 60.20 H new ATOM 2182 N ILE A 139 -3.289 -6.561 -16.862 1.00 2.25 N ATOM 2183 CA ILE A 139 -3.010 -5.220 -17.461 1.00 54.22 C ATOM 2184 C ILE A 139 -1.798 -5.252 -18.455 1.00 54.15 C ATOM 2185 O ILE A 139 -1.258 -4.214 -18.851 1.00 24.13 O ATOM 2186 CB ILE A 139 -2.822 -4.127 -16.312 1.00 24.23 C ATOM 2187 CG1 ILE A 139 -3.948 -4.278 -15.229 1.00 62.52 C ATOM 2188 CG2 ILE A 139 -2.813 -2.672 -16.863 1.00 70.33 C ATOM 2189 CD1 ILE A 139 -3.804 -3.366 -14.027 1.00 0.34 C ATOM 0 H ILE A 139 -4.221 -6.911 -17.083 1.00 2.25 H new ATOM 0 HA ILE A 139 -3.875 -4.934 -18.059 1.00 54.22 H new ATOM 0 HB ILE A 139 -1.847 -4.309 -15.861 1.00 24.23 H new ATOM 0 HG12 ILE A 139 -4.912 -4.086 -15.699 1.00 62.52 H new ATOM 0 HG13 ILE A 139 -3.963 -5.311 -14.883 1.00 62.52 H new ATOM 0 HG21 ILE A 139 -2.682 -1.971 -16.038 1.00 70.33 H new ATOM 0 HG22 ILE A 139 -1.992 -2.556 -17.571 1.00 70.33 H new ATOM 0 HG23 ILE A 139 -3.758 -2.468 -17.366 1.00 70.33 H new ATOM 0 HD11 ILE A 139 -4.627 -3.543 -13.335 1.00 0.34 H new ATOM 0 HD12 ILE A 139 -2.858 -3.571 -13.526 1.00 0.34 H new ATOM 0 HD13 ILE A 139 -3.823 -2.327 -14.355 1.00 0.34 H new ATOM 2201 N LYS A 140 -1.415 -6.463 -18.901 1.00 63.32 N ATOM 2202 CA LYS A 140 -0.223 -6.667 -19.755 1.00 64.03 C ATOM 2203 C LYS A 140 -0.482 -6.186 -21.199 1.00 63.52 C ATOM 2204 O LYS A 140 0.436 -5.720 -21.887 1.00 62.33 O ATOM 2205 CB LYS A 140 0.199 -8.157 -19.712 1.00 31.30 C ATOM 2206 CG LYS A 140 1.502 -8.487 -20.480 1.00 52.31 C ATOM 2207 CD LYS A 140 1.852 -9.996 -20.468 1.00 24.10 C ATOM 2208 CE LYS A 140 2.187 -10.528 -19.072 1.00 64.51 C ATOM 2209 NZ LYS A 140 2.472 -11.987 -19.095 1.00 74.14 N ATOM 0 H LYS A 140 -1.917 -7.324 -18.683 1.00 63.32 H new ATOM 0 HA LYS A 140 0.599 -6.066 -19.367 1.00 64.03 H new ATOM 0 HB2 LYS A 140 0.323 -8.455 -18.671 1.00 31.30 H new ATOM 0 HB3 LYS A 140 -0.610 -8.761 -20.122 1.00 31.30 H new ATOM 0 HG2 LYS A 140 1.402 -8.152 -21.512 1.00 52.31 H new ATOM 0 HG3 LYS A 140 2.327 -7.926 -20.041 1.00 52.31 H new ATOM 0 HD2 LYS A 140 1.012 -10.560 -20.872 1.00 24.10 H new ATOM 0 HD3 LYS A 140 2.701 -10.170 -21.129 1.00 24.10 H new ATOM 0 HE2 LYS A 140 3.051 -9.994 -18.677 1.00 64.51 H new ATOM 0 HE3 LYS A 140 1.354 -10.330 -18.397 1.00 64.51 H new ATOM 0 HZ1 LYS A 140 2.695 -12.312 -18.133 1.00 74.14 H new ATOM 0 HZ2 LYS A 140 1.638 -12.498 -19.449 1.00 74.14 H new ATOM 0 HZ3 LYS A 140 3.283 -12.173 -19.719 1.00 74.14 H new ATOM 2223 N SER A 141 -1.741 -6.303 -21.638 1.00 23.24 N ATOM 2224 CA SER A 141 -2.201 -5.787 -22.934 1.00 61.41 C ATOM 2225 C SER A 141 -2.268 -4.241 -22.866 1.00 43.21 C ATOM 2226 O SER A 141 -1.431 -3.564 -23.507 1.00 63.22 O ATOM 2227 CB SER A 141 -3.585 -6.406 -23.280 1.00 0.44 C ATOM 2228 OG SER A 141 -4.086 -5.949 -24.533 1.00 62.21 O ATOM 2229 OXT SER A 141 -3.127 -3.715 -22.124 1.00 38.14 O ATOM 0 H SER A 141 -2.476 -6.762 -21.100 1.00 23.24 H new ATOM 0 HA SER A 141 -1.504 -6.066 -23.725 1.00 61.41 H new ATOM 0 HB2 SER A 141 -3.499 -7.492 -23.300 1.00 0.44 H new ATOM 0 HB3 SER A 141 -4.298 -6.157 -22.494 1.00 0.44 H new ATOM 0 HG SER A 141 -4.956 -6.365 -24.709 1.00 62.21 H new TER 2235 SER A 141