USER MOD reduce.3.24.130724 H: found=0, std=0, add=1049, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1049 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 104 MET CE :methyl 175:sc= -0.581 (180deg=-0.817) USER MOD Set 1.2: A 131 GLN : amide:sc= -0.111 K(o=-0.69,f=-1.6) USER MOD Set 2.1: A 98 LYS NZ :NH3+ 172:sc= 0.429 (180deg=0) USER MOD Set 2.2: A 100 TYR OH : rot 30:sc= 0.401 USER MOD Set 3.1: A 67 GLN : amide:sc= -0.0679 X(o=-0.49,f=-0.45) USER MOD Set 3.2: A 97 MET CE :methyl -151:sc= -0.427 (180deg=-1.48) USER MOD Set 4.1: A 24 ASN : amide:sc= 0.561 K(o=2.5,f=1.9) USER MOD Set 4.2: A 39 TYR OH : rot -86:sc= 1.26 USER MOD Set 4.3: A 55 ASN :FLIP amide:sc= 0.706 F(o=-1,f=2.5) USER MOD Set 5.1: A 22 LYS NZ :NH3+ -118:sc= 0.189 (180deg=0.116) USER MOD Set 5.2: A 26 CYS SG : rot 101:sc= -2.98! USER MOD Set 5.3: A 38 HIS : no HD1:sc= -3.22! C(o=-6!,f=-13!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.01 (180deg=0.645) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 6 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.13) USER MOD Single : A 7 HIS : no HD1:sc= -0.0822 X(o=-0.082,f=-0.082) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -125:sc= 0.0607 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 165:sc= -0.0806 (180deg=-0.419) USER MOD Single : A 12 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.9) USER MOD Single : A 18 MET CE :methyl -169:sc= 0 (180deg=-0.0563) USER MOD Single : A 20 LYS NZ :NH3+ -115:sc= 0.275 (180deg=-0.0713) USER MOD Single : A 21 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.41) USER MOD Single : A 28 GLN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.032) USER MOD Single : A 36 MET CE :methyl -140:sc= -0.8 (180deg=-2.58!) USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= -0.0632 (180deg=-0.222) USER MOD Single : A 40 THR OG1 : rot 46:sc= 0.0475 USER MOD Single : A 44 LYS NZ :NH3+ 169:sc=-0.00729 (180deg=-0.136) USER MOD Single : A 46 ASN : amide:sc= -2.09 K(o=-2.1,f=-2.8) USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= 0.0494 (180deg=-0.198) USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.0354 (180deg=-0.228) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 54 SER OG : rot -92:sc= -0.475 USER MOD Single : A 59 CYS SG : rot 158:sc= -1.79! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -56:sc= 0.308 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -99:sc= -0.553 (180deg=-2.55!) USER MOD Single : A 73 CYS SG : rot -67:sc= -2.52! USER MOD Single : A 76 CYS SG : rot -120:sc= -1.66 USER MOD Single : A 78 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.47) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -149:sc= 1.2 (180deg=0.593) USER MOD Single : A 87 TYR OH : rot 90:sc= 0.373 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 142:sc= -1.23 (180deg=-2.73!) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 102 LYS NZ :NH3+ 162:sc= 0.76 (180deg=0.52) USER MOD Single : A 107 TYR OH : rot 180:sc= -0.0407 USER MOD Single : A 108 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.021) USER MOD Single : A 109 LYS NZ :NH3+ -111:sc= 0.278 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot -41:sc= -2.8! USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN :FLIP amide:sc= -0.214 F(o=-0.97,f=-0.21) USER MOD Single : A 127 CYS SG : rot 60:sc= -5.12! USER MOD Single : A 128 MET CE :methyl -159:sc= -0.0634 (180deg=-0.476) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 ASN :FLIP amide:sc= -0.0674 F(o=-0.65,f=-0.067) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.988 7.825 -9.876 1.00 21.30 N ATOM 2 CA MET A 1 22.245 7.199 -8.562 1.00 54.42 C ATOM 3 C MET A 1 22.352 8.275 -7.466 1.00 12.05 C ATOM 4 O MET A 1 21.769 8.129 -6.392 1.00 1.30 O ATOM 5 CB MET A 1 23.535 6.334 -8.609 1.00 54.22 C ATOM 6 CG MET A 1 23.430 5.072 -9.485 1.00 42.41 C ATOM 7 SD MET A 1 23.055 5.431 -11.217 1.00 34.53 S ATOM 8 CE MET A 1 22.926 3.777 -11.905 1.00 70.33 C ATOM 0 H1 MET A 1 22.119 7.119 -10.628 1.00 21.30 H new ATOM 0 H2 MET A 1 21.012 8.184 -9.905 1.00 21.30 H new ATOM 0 H3 MET A 1 22.651 8.613 -10.021 1.00 21.30 H new ATOM 0 HA MET A 1 21.406 6.545 -8.322 1.00 54.42 H new ATOM 0 HB2 MET A 1 24.356 6.949 -8.978 1.00 54.22 H new ATOM 0 HB3 MET A 1 23.793 6.035 -7.593 1.00 54.22 H new ATOM 0 HG2 MET A 1 24.369 4.522 -9.431 1.00 42.41 H new ATOM 0 HG3 MET A 1 22.655 4.421 -9.080 1.00 42.41 H new ATOM 0 HE1 MET A 1 22.697 3.842 -12.969 1.00 70.33 H new ATOM 0 HE2 MET A 1 23.871 3.251 -11.768 1.00 70.33 H new ATOM 0 HE3 MET A 1 22.131 3.232 -11.396 1.00 70.33 H new ATOM 20 N GLY A 2 23.091 9.367 -7.754 1.00 40.43 N ATOM 21 CA GLY A 2 23.336 10.440 -6.774 1.00 40.14 C ATOM 22 C GLY A 2 22.257 11.523 -6.775 1.00 64.23 C ATOM 23 O GLY A 2 22.519 12.681 -7.122 1.00 60.24 O ATOM 0 H GLY A 2 23.529 9.527 -8.661 1.00 40.43 H new ATOM 0 HA2 GLY A 2 23.401 10.003 -5.777 1.00 40.14 H new ATOM 0 HA3 GLY A 2 24.302 10.900 -6.984 1.00 40.14 H new ATOM 27 N HIS A 3 21.034 11.136 -6.377 1.00 74.43 N ATOM 28 CA HIS A 3 19.888 12.072 -6.269 1.00 62.35 C ATOM 29 C HIS A 3 19.887 12.781 -4.901 1.00 62.15 C ATOM 30 O HIS A 3 19.264 13.836 -4.743 1.00 22.21 O ATOM 31 CB HIS A 3 18.539 11.329 -6.462 1.00 21.43 C ATOM 32 CG HIS A 3 18.360 10.675 -7.805 1.00 41.52 C ATOM 33 ND1 HIS A 3 17.656 11.257 -8.834 1.00 52.31 N ATOM 34 CD2 HIS A 3 18.770 9.475 -8.273 1.00 1.40 C ATOM 35 CE1 HIS A 3 17.635 10.443 -9.865 1.00 25.30 C ATOM 36 NE2 HIS A 3 18.306 9.353 -9.555 1.00 44.14 N ATOM 0 H HIS A 3 20.806 10.175 -6.122 1.00 74.43 H new ATOM 0 HA HIS A 3 19.999 12.815 -7.059 1.00 62.35 H new ATOM 0 HB2 HIS A 3 18.447 10.567 -5.688 1.00 21.43 H new ATOM 0 HB3 HIS A 3 17.726 12.038 -6.309 1.00 21.43 H new ATOM 0 HD2 HIS A 3 19.357 8.746 -7.734 1.00 1.40 H new ATOM 0 HE1 HIS A 3 17.148 10.636 -10.810 1.00 25.30 H new ATOM 0 HE2 HIS A 3 18.455 8.552 -10.168 1.00 44.14 H new ATOM 45 N HIS A 4 20.593 12.182 -3.921 1.00 30.53 N ATOM 46 CA HIS A 4 20.608 12.648 -2.522 1.00 64.15 C ATOM 47 C HIS A 4 21.466 13.924 -2.346 1.00 51.22 C ATOM 48 O HIS A 4 21.327 14.634 -1.340 1.00 23.55 O ATOM 49 CB HIS A 4 21.117 11.507 -1.602 1.00 71.21 C ATOM 50 CG HIS A 4 20.935 11.774 -0.133 1.00 11.43 C ATOM 51 ND1 HIS A 4 21.979 11.989 0.741 1.00 70.51 N ATOM 52 CD2 HIS A 4 19.806 11.877 0.608 1.00 43.15 C ATOM 53 CE1 HIS A 4 21.498 12.202 1.946 1.00 14.51 C ATOM 54 NE2 HIS A 4 20.186 12.141 1.888 1.00 23.11 N ATOM 0 H HIS A 4 21.171 11.357 -4.080 1.00 30.53 H new ATOM 0 HA HIS A 4 19.589 12.913 -2.239 1.00 64.15 H new ATOM 0 HB2 HIS A 4 20.594 10.586 -1.860 1.00 71.21 H new ATOM 0 HB3 HIS A 4 22.175 11.339 -1.801 1.00 71.21 H new ATOM 0 HD2 HIS A 4 18.793 11.770 0.250 1.00 43.15 H new ATOM 0 HE1 HIS A 4 22.082 12.395 2.834 1.00 14.51 H new ATOM 0 HE2 HIS A 4 19.553 12.271 2.677 1.00 23.11 H new ATOM 63 N HIS A 5 22.350 14.191 -3.330 1.00 71.02 N ATOM 64 CA HIS A 5 23.237 15.375 -3.339 1.00 72.45 C ATOM 65 C HIS A 5 22.415 16.684 -3.326 1.00 55.30 C ATOM 66 O HIS A 5 21.683 16.967 -4.281 1.00 14.54 O ATOM 67 CB HIS A 5 24.155 15.338 -4.588 1.00 51.45 C ATOM 68 CG HIS A 5 25.004 16.577 -4.779 1.00 32.24 C ATOM 69 ND1 HIS A 5 24.625 17.625 -5.588 1.00 74.31 N ATOM 70 CD2 HIS A 5 26.200 16.935 -4.253 1.00 33.53 C ATOM 71 CE1 HIS A 5 25.544 18.563 -5.554 1.00 30.12 C ATOM 72 NE2 HIS A 5 26.510 18.172 -4.751 1.00 21.15 N ATOM 0 H HIS A 5 22.470 13.589 -4.145 1.00 71.02 H new ATOM 0 HA HIS A 5 23.851 15.349 -2.439 1.00 72.45 H new ATOM 0 HB2 HIS A 5 24.811 14.471 -4.516 1.00 51.45 H new ATOM 0 HB3 HIS A 5 23.536 15.197 -5.474 1.00 51.45 H new ATOM 0 HD2 HIS A 5 26.798 16.353 -3.568 1.00 33.53 H new ATOM 0 HE1 HIS A 5 25.512 19.498 -6.094 1.00 30.12 H new ATOM 0 HE2 HIS A 5 27.353 18.704 -4.535 1.00 21.15 H new ATOM 81 N HIS A 6 22.558 17.472 -2.245 1.00 65.13 N ATOM 82 CA HIS A 6 21.859 18.759 -2.091 1.00 51.22 C ATOM 83 C HIS A 6 22.793 19.927 -2.486 1.00 31.42 C ATOM 84 O HIS A 6 23.803 20.200 -1.824 1.00 74.24 O ATOM 85 CB HIS A 6 21.299 18.941 -0.643 1.00 15.11 C ATOM 86 CG HIS A 6 22.326 19.039 0.465 1.00 60.32 C ATOM 87 ND1 HIS A 6 22.704 20.232 1.044 1.00 74.15 N ATOM 88 CD2 HIS A 6 23.050 18.086 1.097 1.00 71.23 C ATOM 89 CE1 HIS A 6 23.599 20.003 1.981 1.00 64.11 C ATOM 90 NE2 HIS A 6 23.829 18.709 2.031 1.00 44.11 N ATOM 0 H HIS A 6 23.160 17.235 -1.456 1.00 65.13 H new ATOM 0 HA HIS A 6 21.002 18.762 -2.765 1.00 51.22 H new ATOM 0 HB2 HIS A 6 20.687 19.843 -0.623 1.00 15.11 H new ATOM 0 HB3 HIS A 6 20.638 18.103 -0.424 1.00 15.11 H new ATOM 0 HD2 HIS A 6 23.018 17.025 0.899 1.00 71.23 H new ATOM 0 HE1 HIS A 6 24.066 20.751 2.604 1.00 64.11 H new ATOM 0 HE2 HIS A 6 24.482 18.246 2.663 1.00 44.11 H new ATOM 99 N HIS A 7 22.477 20.564 -3.619 1.00 21.51 N ATOM 100 CA HIS A 7 23.027 21.882 -3.979 1.00 34.03 C ATOM 101 C HIS A 7 22.304 22.946 -3.135 1.00 51.51 C ATOM 102 O HIS A 7 21.161 22.710 -2.708 1.00 20.01 O ATOM 103 CB HIS A 7 22.863 22.157 -5.502 1.00 33.30 C ATOM 104 CG HIS A 7 23.306 23.538 -5.945 1.00 72.30 C ATOM 105 ND1 HIS A 7 24.628 23.889 -6.128 1.00 64.42 N ATOM 106 CD2 HIS A 7 22.592 24.660 -6.214 1.00 42.14 C ATOM 107 CE1 HIS A 7 24.700 25.155 -6.494 1.00 52.21 C ATOM 108 NE2 HIS A 7 23.480 25.642 -6.550 1.00 13.12 N ATOM 0 H HIS A 7 21.834 20.184 -4.313 1.00 21.51 H new ATOM 0 HA HIS A 7 24.096 21.912 -3.770 1.00 34.03 H new ATOM 0 HB2 HIS A 7 23.434 21.412 -6.056 1.00 33.30 H new ATOM 0 HB3 HIS A 7 21.816 22.022 -5.772 1.00 33.30 H new ATOM 0 HD2 HIS A 7 21.517 24.759 -6.170 1.00 42.14 H new ATOM 0 HE1 HIS A 7 25.607 25.699 -6.711 1.00 52.21 H new ATOM 0 HE2 HIS A 7 23.236 26.599 -6.804 1.00 13.12 H new ATOM 117 N HIS A 8 22.983 24.094 -2.890 1.00 31.42 N ATOM 118 CA HIS A 8 22.460 25.207 -2.068 1.00 60.31 C ATOM 119 C HIS A 8 20.994 25.573 -2.430 1.00 21.11 C ATOM 120 O HIS A 8 20.710 26.065 -3.525 1.00 11.15 O ATOM 121 CB HIS A 8 23.387 26.444 -2.192 1.00 2.52 C ATOM 122 CG HIS A 8 22.923 27.654 -1.412 1.00 24.34 C ATOM 123 ND1 HIS A 8 22.975 27.728 -0.038 1.00 1.22 N ATOM 124 CD2 HIS A 8 22.385 28.827 -1.824 1.00 55.12 C ATOM 125 CE1 HIS A 8 22.494 28.888 0.354 1.00 42.13 C ATOM 126 NE2 HIS A 8 22.129 29.572 -0.708 1.00 62.22 N ATOM 0 H HIS A 8 23.916 24.272 -3.262 1.00 31.42 H new ATOM 0 HA HIS A 8 22.451 24.872 -1.031 1.00 60.31 H new ATOM 0 HB2 HIS A 8 24.386 26.170 -1.853 1.00 2.52 H new ATOM 0 HB3 HIS A 8 23.471 26.716 -3.244 1.00 2.52 H new ATOM 0 HD2 HIS A 8 22.194 29.119 -2.846 1.00 55.12 H new ATOM 0 HE1 HIS A 8 22.412 29.223 1.378 1.00 42.13 H new ATOM 0 HE2 HIS A 8 21.721 30.507 -0.700 1.00 62.22 H new ATOM 135 N SER A 9 20.092 25.283 -1.491 1.00 1.33 N ATOM 136 CA SER A 9 18.643 25.511 -1.613 1.00 51.41 C ATOM 137 C SER A 9 18.203 26.559 -0.581 1.00 4.40 C ATOM 138 O SER A 9 19.037 27.104 0.156 1.00 51.22 O ATOM 139 CB SER A 9 17.905 24.160 -1.391 1.00 12.10 C ATOM 140 OG SER A 9 16.494 24.276 -1.554 1.00 31.50 O ATOM 0 H SER A 9 20.353 24.870 -0.596 1.00 1.33 H new ATOM 0 HA SER A 9 18.396 25.888 -2.606 1.00 51.41 H new ATOM 0 HB2 SER A 9 18.289 23.420 -2.093 1.00 12.10 H new ATOM 0 HB3 SER A 9 18.123 23.791 -0.389 1.00 12.10 H new ATOM 0 HG SER A 9 16.043 23.939 -0.752 1.00 31.50 H new ATOM 146 N HIS A 10 16.894 26.858 -0.555 1.00 73.33 N ATOM 147 CA HIS A 10 16.278 27.705 0.481 1.00 24.44 C ATOM 148 C HIS A 10 15.948 26.865 1.730 1.00 22.54 C ATOM 149 O HIS A 10 16.391 25.710 1.844 1.00 21.33 O ATOM 150 CB HIS A 10 15.009 28.391 -0.089 1.00 61.02 C ATOM 151 CG HIS A 10 15.289 29.375 -1.192 1.00 41.00 C ATOM 152 ND1 HIS A 10 14.504 29.485 -2.316 1.00 24.32 N ATOM 153 CD2 HIS A 10 16.244 30.329 -1.312 1.00 64.51 C ATOM 154 CE1 HIS A 10 14.960 30.457 -3.073 1.00 51.14 C ATOM 155 NE2 HIS A 10 16.013 30.983 -2.489 1.00 2.34 N ATOM 0 H HIS A 10 16.232 26.519 -1.253 1.00 73.33 H new ATOM 0 HA HIS A 10 16.982 28.482 0.779 1.00 24.44 H new ATOM 0 HB2 HIS A 10 14.331 27.624 -0.464 1.00 61.02 H new ATOM 0 HB3 HIS A 10 14.492 28.906 0.721 1.00 61.02 H new ATOM 0 HD2 HIS A 10 17.038 30.534 -0.609 1.00 64.51 H new ATOM 0 HE1 HIS A 10 14.540 30.771 -4.017 1.00 51.14 H new ATOM 0 HE2 HIS A 10 16.569 31.756 -2.856 1.00 2.34 H new ATOM 164 N MET A 11 15.186 27.467 2.667 1.00 71.50 N ATOM 165 CA MET A 11 14.743 26.806 3.920 1.00 31.40 C ATOM 166 C MET A 11 13.998 25.484 3.644 1.00 44.11 C ATOM 167 O MET A 11 14.063 24.550 4.452 1.00 41.14 O ATOM 168 CB MET A 11 13.839 27.766 4.741 1.00 22.43 C ATOM 169 CG MET A 11 14.554 29.013 5.295 1.00 32.20 C ATOM 170 SD MET A 11 13.429 30.152 6.137 1.00 4.41 S ATOM 171 CE MET A 11 12.721 29.106 7.413 1.00 11.10 C ATOM 0 H MET A 11 14.858 28.429 2.579 1.00 71.50 H new ATOM 0 HA MET A 11 15.636 26.566 4.496 1.00 31.40 H new ATOM 0 HB2 MET A 11 13.011 28.090 4.111 1.00 22.43 H new ATOM 0 HB3 MET A 11 13.408 27.212 5.575 1.00 22.43 H new ATOM 0 HG2 MET A 11 15.334 28.700 5.990 1.00 32.20 H new ATOM 0 HG3 MET A 11 15.048 29.537 4.476 1.00 32.20 H new ATOM 0 HE1 MET A 11 12.225 29.727 8.159 1.00 11.10 H new ATOM 0 HE2 MET A 11 11.995 28.427 6.966 1.00 11.10 H new ATOM 0 HE3 MET A 11 13.512 28.528 7.890 1.00 11.10 H new ATOM 181 N ASN A 12 13.289 25.425 2.501 1.00 24.55 N ATOM 182 CA ASN A 12 12.612 24.201 2.039 1.00 54.53 C ATOM 183 C ASN A 12 13.660 23.217 1.444 1.00 22.23 C ATOM 184 O ASN A 12 14.296 23.530 0.424 1.00 33.01 O ATOM 185 CB ASN A 12 11.479 24.541 1.023 1.00 14.21 C ATOM 186 CG ASN A 12 11.946 25.315 -0.214 1.00 13.44 C ATOM 187 OD1 ASN A 12 12.087 26.538 -0.175 1.00 43.20 O ATOM 188 ND2 ASN A 12 12.165 24.619 -1.319 1.00 23.41 N ATOM 0 H ASN A 12 13.170 26.221 1.875 1.00 24.55 H new ATOM 0 HA ASN A 12 12.133 23.711 2.887 1.00 54.53 H new ATOM 0 HB2 ASN A 12 11.008 23.613 0.699 1.00 14.21 H new ATOM 0 HB3 ASN A 12 10.713 25.125 1.534 1.00 14.21 H new ATOM 0 HD21 ASN A 12 12.460 25.095 -2.172 1.00 23.41 H new ATOM 0 HD22 ASN A 12 12.039 23.607 -1.318 1.00 23.41 H new ATOM 195 N PRO A 13 13.901 22.033 2.106 1.00 51.31 N ATOM 196 CA PRO A 13 14.885 21.028 1.624 1.00 45.03 C ATOM 197 C PRO A 13 14.412 20.314 0.344 1.00 13.50 C ATOM 198 O PRO A 13 15.211 20.030 -0.555 1.00 61.34 O ATOM 199 CB PRO A 13 15.006 20.026 2.819 1.00 12.30 C ATOM 200 CG PRO A 13 14.319 20.694 3.979 1.00 52.32 C ATOM 201 CD PRO A 13 13.258 21.579 3.367 1.00 70.42 C ATOM 0 HA PRO A 13 15.836 21.485 1.350 1.00 45.03 H new ATOM 0 HB2 PRO A 13 14.534 19.073 2.580 1.00 12.30 H new ATOM 0 HB3 PRO A 13 16.050 19.816 3.050 1.00 12.30 H new ATOM 0 HG2 PRO A 13 13.876 19.957 4.650 1.00 52.32 H new ATOM 0 HG3 PRO A 13 15.025 21.279 4.569 1.00 52.32 H new ATOM 0 HD2 PRO A 13 12.334 21.032 3.177 1.00 70.42 H new ATOM 0 HD3 PRO A 13 13.005 22.416 4.017 1.00 70.42 H new ATOM 209 N ASP A 14 13.097 20.045 0.286 1.00 61.23 N ATOM 210 CA ASP A 14 12.471 19.268 -0.796 1.00 44.34 C ATOM 211 C ASP A 14 10.967 19.589 -0.850 1.00 34.30 C ATOM 212 O ASP A 14 10.227 19.301 0.102 1.00 22.12 O ATOM 213 CB ASP A 14 12.720 17.746 -0.559 1.00 12.20 C ATOM 214 CG ASP A 14 11.930 16.821 -1.504 1.00 73.00 C ATOM 215 OD1 ASP A 14 12.083 16.946 -2.741 1.00 62.03 O ATOM 216 OD2 ASP A 14 11.162 15.964 -1.006 1.00 62.05 O ATOM 0 H ASP A 14 12.434 20.363 0.993 1.00 61.23 H new ATOM 0 HA ASP A 14 12.913 19.537 -1.755 1.00 44.34 H new ATOM 0 HB2 ASP A 14 13.784 17.541 -0.675 1.00 12.20 H new ATOM 0 HB3 ASP A 14 12.459 17.503 0.471 1.00 12.20 H new ATOM 221 N LEU A 15 10.521 20.184 -1.974 1.00 55.13 N ATOM 222 CA LEU A 15 9.115 20.604 -2.167 1.00 24.54 C ATOM 223 C LEU A 15 8.172 19.385 -2.139 1.00 72.04 C ATOM 224 O LEU A 15 7.008 19.484 -1.723 1.00 61.03 O ATOM 225 CB LEU A 15 8.927 21.391 -3.498 1.00 52.12 C ATOM 226 CG LEU A 15 9.760 22.721 -3.654 1.00 52.41 C ATOM 227 CD1 LEU A 15 11.211 22.456 -4.113 1.00 34.34 C ATOM 228 CD2 LEU A 15 9.054 23.731 -4.588 1.00 63.30 C ATOM 0 H LEU A 15 11.122 20.387 -2.773 1.00 55.13 H new ATOM 0 HA LEU A 15 8.861 21.269 -1.342 1.00 24.54 H new ATOM 0 HB2 LEU A 15 9.184 20.729 -4.325 1.00 52.12 H new ATOM 0 HB3 LEU A 15 7.870 21.636 -3.603 1.00 52.12 H new ATOM 0 HG LEU A 15 9.816 23.168 -2.662 1.00 52.41 H new ATOM 0 HD11 LEU A 15 11.742 23.403 -4.205 1.00 34.34 H new ATOM 0 HD12 LEU A 15 11.716 21.827 -3.380 1.00 34.34 H new ATOM 0 HD13 LEU A 15 11.201 21.950 -5.079 1.00 34.34 H new ATOM 0 HD21 LEU A 15 9.658 24.634 -4.670 1.00 63.30 H new ATOM 0 HD22 LEU A 15 8.928 23.287 -5.576 1.00 63.30 H new ATOM 0 HD23 LEU A 15 8.077 23.985 -4.177 1.00 63.30 H new ATOM 240 N ALA A 16 8.713 18.230 -2.551 1.00 24.42 N ATOM 241 CA ALA A 16 7.988 16.962 -2.573 1.00 2.10 C ATOM 242 C ALA A 16 7.612 16.482 -1.158 1.00 24.11 C ATOM 243 O ALA A 16 6.617 15.758 -0.992 1.00 21.34 O ATOM 244 CB ALA A 16 8.810 15.910 -3.315 1.00 74.10 C ATOM 0 H ALA A 16 9.675 18.154 -2.880 1.00 24.42 H new ATOM 0 HA ALA A 16 7.049 17.119 -3.105 1.00 2.10 H new ATOM 0 HB1 ALA A 16 8.265 14.966 -3.329 1.00 74.10 H new ATOM 0 HB2 ALA A 16 8.987 16.242 -4.338 1.00 74.10 H new ATOM 0 HB3 ALA A 16 9.765 15.771 -2.808 1.00 74.10 H new ATOM 250 N LEU A 17 8.389 16.907 -0.130 1.00 32.31 N ATOM 251 CA LEU A 17 8.080 16.557 1.270 1.00 30.41 C ATOM 252 C LEU A 17 6.935 17.455 1.786 1.00 54.01 C ATOM 253 O LEU A 17 6.230 17.089 2.731 1.00 13.31 O ATOM 254 CB LEU A 17 9.376 16.609 2.168 1.00 1.52 C ATOM 255 CG LEU A 17 9.686 17.932 2.980 1.00 42.33 C ATOM 256 CD1 LEU A 17 8.967 17.955 4.355 1.00 74.55 C ATOM 257 CD2 LEU A 17 11.208 18.142 3.156 1.00 53.24 C ATOM 0 H LEU A 17 9.222 17.484 -0.246 1.00 32.31 H new ATOM 0 HA LEU A 17 7.730 15.526 1.325 1.00 30.41 H new ATOM 0 HB2 LEU A 17 9.315 15.789 2.883 1.00 1.52 H new ATOM 0 HB3 LEU A 17 10.232 16.408 1.524 1.00 1.52 H new ATOM 0 HG LEU A 17 9.293 18.761 2.391 1.00 42.33 H new ATOM 0 HD11 LEU A 17 9.209 18.881 4.877 1.00 74.55 H new ATOM 0 HD12 LEU A 17 7.889 17.895 4.203 1.00 74.55 H new ATOM 0 HD13 LEU A 17 9.297 17.105 4.952 1.00 74.55 H new ATOM 0 HD21 LEU A 17 11.386 19.059 3.718 1.00 53.24 H new ATOM 0 HD22 LEU A 17 11.632 17.296 3.698 1.00 53.24 H new ATOM 0 HD23 LEU A 17 11.680 18.219 2.177 1.00 53.24 H new ATOM 269 N MET A 18 6.727 18.616 1.122 1.00 33.31 N ATOM 270 CA MET A 18 5.703 19.600 1.525 1.00 63.44 C ATOM 271 C MET A 18 4.309 19.134 1.074 1.00 44.55 C ATOM 272 O MET A 18 3.320 19.262 1.806 1.00 22.00 O ATOM 273 CB MET A 18 6.023 20.991 0.907 1.00 1.00 C ATOM 274 CG MET A 18 7.437 21.506 1.208 1.00 11.22 C ATOM 275 SD MET A 18 7.766 21.612 2.975 1.00 52.23 S ATOM 276 CE MET A 18 9.507 22.016 2.986 1.00 42.01 C ATOM 0 H MET A 18 7.261 18.893 0.298 1.00 33.31 H new ATOM 0 HA MET A 18 5.711 19.685 2.612 1.00 63.44 H new ATOM 0 HB2 MET A 18 5.892 20.934 -0.174 1.00 1.00 H new ATOM 0 HB3 MET A 18 5.298 21.716 1.278 1.00 1.00 H new ATOM 0 HG2 MET A 18 8.168 20.844 0.744 1.00 11.22 H new ATOM 0 HG3 MET A 18 7.566 22.490 0.757 1.00 11.22 H new ATOM 0 HE1 MET A 18 9.896 21.922 4.000 1.00 42.01 H new ATOM 0 HE2 MET A 18 10.043 21.333 2.327 1.00 42.01 H new ATOM 0 HE3 MET A 18 9.645 23.040 2.638 1.00 42.01 H new ATOM 286 N VAL A 19 4.266 18.562 -0.136 1.00 43.14 N ATOM 287 CA VAL A 19 3.014 18.185 -0.812 1.00 1.40 C ATOM 288 C VAL A 19 2.462 16.832 -0.304 1.00 44.25 C ATOM 289 O VAL A 19 1.246 16.585 -0.365 1.00 32.21 O ATOM 290 CB VAL A 19 3.227 18.128 -2.364 1.00 64.35 C ATOM 291 CG1 VAL A 19 4.209 17.004 -2.745 1.00 41.43 C ATOM 292 CG2 VAL A 19 1.890 17.992 -3.122 1.00 45.41 C ATOM 0 H VAL A 19 5.102 18.346 -0.678 1.00 43.14 H new ATOM 0 HA VAL A 19 2.277 18.952 -0.575 1.00 1.40 H new ATOM 0 HB VAL A 19 3.670 19.076 -2.669 1.00 64.35 H new ATOM 0 HG11 VAL A 19 4.339 16.986 -3.827 1.00 41.43 H new ATOM 0 HG12 VAL A 19 5.172 17.184 -2.267 1.00 41.43 H new ATOM 0 HG13 VAL A 19 3.812 16.045 -2.411 1.00 41.43 H new ATOM 0 HG21 VAL A 19 2.082 17.956 -4.194 1.00 45.41 H new ATOM 0 HG22 VAL A 19 1.388 17.076 -2.812 1.00 45.41 H new ATOM 0 HG23 VAL A 19 1.255 18.848 -2.896 1.00 45.41 H new ATOM 302 N LYS A 20 3.355 15.947 0.182 1.00 64.12 N ATOM 303 CA LYS A 20 2.935 14.640 0.706 1.00 72.45 C ATOM 304 C LYS A 20 2.162 14.811 2.026 1.00 31.40 C ATOM 305 O LYS A 20 1.279 14.006 2.339 1.00 12.21 O ATOM 306 CB LYS A 20 4.144 13.684 0.874 1.00 4.23 C ATOM 307 CG LYS A 20 5.173 14.055 1.968 1.00 20.55 C ATOM 308 CD LYS A 20 6.315 13.004 2.091 1.00 54.41 C ATOM 309 CE LYS A 20 7.212 12.940 0.839 1.00 52.54 C ATOM 310 NZ LYS A 20 8.179 11.815 0.888 1.00 74.53 N ATOM 0 H LYS A 20 4.360 16.114 0.221 1.00 64.12 H new ATOM 0 HA LYS A 20 2.263 14.182 -0.020 1.00 72.45 H new ATOM 0 HB2 LYS A 20 3.762 12.686 1.090 1.00 4.23 H new ATOM 0 HB3 LYS A 20 4.667 13.625 -0.080 1.00 4.23 H new ATOM 0 HG2 LYS A 20 5.604 15.030 1.742 1.00 20.55 H new ATOM 0 HG3 LYS A 20 4.663 14.147 2.927 1.00 20.55 H new ATOM 0 HD2 LYS A 20 6.929 13.243 2.959 1.00 54.41 H new ATOM 0 HD3 LYS A 20 5.879 12.021 2.269 1.00 54.41 H new ATOM 0 HE2 LYS A 20 6.586 12.838 -0.047 1.00 52.54 H new ATOM 0 HE3 LYS A 20 7.757 13.879 0.738 1.00 52.54 H new ATOM 0 HZ1 LYS A 20 9.148 12.191 0.928 1.00 74.53 H new ATOM 0 HZ2 LYS A 20 7.997 11.237 1.733 1.00 74.53 H new ATOM 0 HZ3 LYS A 20 8.071 11.227 0.037 1.00 74.53 H new ATOM 324 N ASN A 21 2.486 15.898 2.763 1.00 34.55 N ATOM 325 CA ASN A 21 1.837 16.252 4.039 1.00 52.30 C ATOM 326 C ASN A 21 0.341 16.549 3.815 1.00 52.41 C ATOM 327 O ASN A 21 -0.518 15.913 4.428 1.00 2.32 O ATOM 328 CB ASN A 21 2.555 17.473 4.687 1.00 20.22 C ATOM 329 CG ASN A 21 4.024 17.208 5.028 1.00 2.44 C ATOM 330 OD1 ASN A 21 4.405 16.085 5.364 1.00 42.32 O ATOM 331 ND2 ASN A 21 4.866 18.237 4.938 1.00 74.50 N ATOM 0 H ASN A 21 3.212 16.558 2.483 1.00 34.55 H new ATOM 0 HA ASN A 21 1.917 15.406 4.722 1.00 52.30 H new ATOM 0 HB2 ASN A 21 2.496 18.322 4.006 1.00 20.22 H new ATOM 0 HB3 ASN A 21 2.025 17.756 5.596 1.00 20.22 H new ATOM 0 HD21 ASN A 21 5.855 18.107 5.150 1.00 74.50 H new ATOM 0 HD22 ASN A 21 4.521 19.155 4.657 1.00 74.50 H new ATOM 338 N LYS A 22 0.044 17.495 2.895 1.00 72.34 N ATOM 339 CA LYS A 22 -1.347 17.904 2.563 1.00 11.11 C ATOM 340 C LYS A 22 -2.143 16.737 1.929 1.00 11.14 C ATOM 341 O LYS A 22 -3.382 16.632 2.090 1.00 63.32 O ATOM 342 CB LYS A 22 -1.331 19.162 1.649 1.00 42.30 C ATOM 343 CG LYS A 22 -0.557 18.991 0.324 1.00 33.13 C ATOM 344 CD LYS A 22 -0.185 20.328 -0.344 1.00 12.34 C ATOM 345 CE LYS A 22 -1.394 21.116 -0.887 1.00 23.24 C ATOM 346 NZ LYS A 22 -1.939 20.512 -2.129 1.00 54.20 N ATOM 0 H LYS A 22 0.755 17.996 2.362 1.00 72.34 H new ATOM 0 HA LYS A 22 -1.862 18.166 3.487 1.00 11.11 H new ATOM 0 HB2 LYS A 22 -2.360 19.440 1.419 1.00 42.30 H new ATOM 0 HB3 LYS A 22 -0.893 19.992 2.204 1.00 42.30 H new ATOM 0 HG2 LYS A 22 0.353 18.423 0.514 1.00 33.13 H new ATOM 0 HG3 LYS A 22 -1.161 18.403 -0.368 1.00 33.13 H new ATOM 0 HD2 LYS A 22 0.345 20.948 0.379 1.00 12.34 H new ATOM 0 HD3 LYS A 22 0.506 20.133 -1.164 1.00 12.34 H new ATOM 0 HE2 LYS A 22 -2.175 21.150 -0.128 1.00 23.24 H new ATOM 0 HE3 LYS A 22 -1.096 22.146 -1.085 1.00 23.24 H new ATOM 0 HZ1 LYS A 22 -1.854 21.192 -2.912 1.00 54.20 H new ATOM 0 HZ2 LYS A 22 -1.404 19.650 -2.360 1.00 54.20 H new ATOM 0 HZ3 LYS A 22 -2.941 20.270 -1.987 1.00 54.20 H new ATOM 360 N GLY A 23 -1.417 15.854 1.216 1.00 75.45 N ATOM 361 CA GLY A 23 -1.981 14.595 0.735 1.00 12.23 C ATOM 362 C GLY A 23 -2.545 13.736 1.879 1.00 70.14 C ATOM 363 O GLY A 23 -3.649 13.200 1.767 1.00 71.35 O ATOM 0 H GLY A 23 -0.439 15.997 0.965 1.00 75.45 H new ATOM 0 HA2 GLY A 23 -2.773 14.805 0.016 1.00 12.23 H new ATOM 0 HA3 GLY A 23 -1.211 14.033 0.206 1.00 12.23 H new ATOM 367 N ASN A 24 -1.766 13.609 2.981 1.00 14.03 N ATOM 368 CA ASN A 24 -2.198 12.881 4.201 1.00 2.10 C ATOM 369 C ASN A 24 -3.264 13.684 4.969 1.00 34.03 C ATOM 370 O ASN A 24 -4.063 13.097 5.713 1.00 15.33 O ATOM 371 CB ASN A 24 -0.999 12.544 5.141 1.00 73.43 C ATOM 372 CG ASN A 24 -0.100 11.421 4.602 1.00 25.14 C ATOM 373 OD1 ASN A 24 -0.406 10.237 4.758 1.00 2.43 O ATOM 374 ND2 ASN A 24 1.010 11.767 3.973 1.00 11.01 N ATOM 0 H ASN A 24 -0.828 14.004 3.050 1.00 14.03 H new ATOM 0 HA ASN A 24 -2.633 11.938 3.870 1.00 2.10 H new ATOM 0 HB2 ASN A 24 -0.398 13.442 5.288 1.00 73.43 H new ATOM 0 HB3 ASN A 24 -1.384 12.254 6.119 1.00 73.43 H new ATOM 0 HD21 ASN A 24 1.633 11.048 3.605 1.00 11.01 H new ATOM 0 HD22 ASN A 24 1.243 12.753 3.855 1.00 11.01 H new ATOM 381 N GLU A 25 -3.261 15.030 4.793 1.00 52.12 N ATOM 382 CA GLU A 25 -4.282 15.913 5.391 1.00 62.41 C ATOM 383 C GLU A 25 -5.659 15.529 4.840 1.00 65.34 C ATOM 384 O GLU A 25 -6.624 15.520 5.593 1.00 50.15 O ATOM 385 CB GLU A 25 -3.979 17.446 5.160 1.00 32.22 C ATOM 386 CG GLU A 25 -5.098 18.262 4.459 1.00 61.32 C ATOM 387 CD GLU A 25 -4.721 19.723 4.201 1.00 31.42 C ATOM 388 OE1 GLU A 25 -4.811 20.539 5.142 1.00 53.21 O ATOM 389 OE2 GLU A 25 -4.329 20.064 3.066 1.00 12.24 O ATOM 0 H GLU A 25 -2.560 15.523 4.240 1.00 52.12 H new ATOM 0 HA GLU A 25 -4.264 15.769 6.471 1.00 62.41 H new ATOM 0 HB2 GLU A 25 -3.773 17.905 6.127 1.00 32.22 H new ATOM 0 HB3 GLU A 25 -3.069 17.531 4.567 1.00 32.22 H new ATOM 0 HG2 GLU A 25 -5.343 17.786 3.510 1.00 61.32 H new ATOM 0 HG3 GLU A 25 -5.998 18.231 5.073 1.00 61.32 H new ATOM 396 N CYS A 26 -5.731 15.229 3.514 1.00 35.43 N ATOM 397 CA CYS A 26 -6.990 14.771 2.871 1.00 5.33 C ATOM 398 C CYS A 26 -7.652 13.611 3.654 1.00 52.10 C ATOM 399 O CYS A 26 -8.838 13.692 3.999 1.00 45.14 O ATOM 400 CB CYS A 26 -6.731 14.364 1.410 1.00 32.52 C ATOM 401 SG CYS A 26 -6.080 15.715 0.410 1.00 72.44 S ATOM 0 H CYS A 26 -4.938 15.296 2.876 1.00 35.43 H new ATOM 0 HA CYS A 26 -7.688 15.608 2.884 1.00 5.33 H new ATOM 0 HB2 CYS A 26 -6.027 13.532 1.389 1.00 32.52 H new ATOM 0 HB3 CYS A 26 -7.661 14.006 0.967 1.00 32.52 H new ATOM 0 HG CYS A 26 -4.795 15.573 0.272 1.00 72.44 H new ATOM 407 N PHE A 27 -6.858 12.562 3.971 1.00 43.53 N ATOM 408 CA PHE A 27 -7.318 11.418 4.796 1.00 31.30 C ATOM 409 C PHE A 27 -7.826 11.889 6.173 1.00 71.43 C ATOM 410 O PHE A 27 -8.872 11.427 6.652 1.00 33.22 O ATOM 411 CB PHE A 27 -6.186 10.370 4.981 1.00 62.22 C ATOM 412 CG PHE A 27 -5.813 9.616 3.708 1.00 32.35 C ATOM 413 CD1 PHE A 27 -6.780 8.889 3.010 1.00 74.01 C ATOM 414 CD2 PHE A 27 -4.505 9.608 3.219 1.00 52.03 C ATOM 415 CE1 PHE A 27 -6.452 8.189 1.868 1.00 54.25 C ATOM 416 CE2 PHE A 27 -4.182 8.901 2.080 1.00 13.24 C ATOM 417 CZ PHE A 27 -5.153 8.194 1.404 1.00 75.42 C ATOM 0 H PHE A 27 -5.888 12.484 3.666 1.00 43.53 H new ATOM 0 HA PHE A 27 -8.145 10.949 4.264 1.00 31.30 H new ATOM 0 HB2 PHE A 27 -5.299 10.875 5.363 1.00 62.22 H new ATOM 0 HB3 PHE A 27 -6.494 9.650 5.739 1.00 62.22 H new ATOM 0 HD1 PHE A 27 -7.798 8.875 3.369 1.00 74.01 H new ATOM 0 HD2 PHE A 27 -3.737 10.162 3.739 1.00 52.03 H new ATOM 0 HE1 PHE A 27 -7.213 7.636 1.337 1.00 54.25 H new ATOM 0 HE2 PHE A 27 -3.165 8.901 1.717 1.00 13.24 H new ATOM 0 HZ PHE A 27 -4.897 7.644 0.511 1.00 75.42 H new ATOM 427 N GLN A 28 -7.089 12.849 6.764 1.00 4.00 N ATOM 428 CA GLN A 28 -7.424 13.468 8.061 1.00 14.11 C ATOM 429 C GLN A 28 -8.785 14.213 7.987 1.00 63.13 C ATOM 430 O GLN A 28 -9.477 14.354 9.006 1.00 32.21 O ATOM 431 CB GLN A 28 -6.281 14.444 8.482 1.00 55.21 C ATOM 432 CG GLN A 28 -6.480 15.160 9.833 1.00 51.15 C ATOM 433 CD GLN A 28 -6.473 14.196 11.025 1.00 13.10 C ATOM 434 OE1 GLN A 28 -5.425 13.906 11.604 1.00 63.23 O ATOM 435 NE2 GLN A 28 -7.632 13.673 11.387 1.00 72.22 N ATOM 0 H GLN A 28 -6.234 13.221 6.349 1.00 4.00 H new ATOM 0 HA GLN A 28 -7.519 12.684 8.812 1.00 14.11 H new ATOM 0 HB2 GLN A 28 -5.346 13.885 8.522 1.00 55.21 H new ATOM 0 HB3 GLN A 28 -6.168 15.199 7.704 1.00 55.21 H new ATOM 0 HG2 GLN A 28 -5.691 15.900 9.966 1.00 51.15 H new ATOM 0 HG3 GLN A 28 -7.426 15.702 9.816 1.00 51.15 H new ATOM 0 HE21 GLN A 28 -8.485 13.930 10.890 1.00 72.22 H new ATOM 0 HE22 GLN A 28 -7.673 13.012 12.163 1.00 72.22 H new ATOM 444 N LYS A 29 -9.174 14.668 6.769 1.00 53.25 N ATOM 445 CA LYS A 29 -10.467 15.355 6.560 1.00 31.24 C ATOM 446 C LYS A 29 -11.598 14.307 6.427 1.00 63.33 C ATOM 447 O LYS A 29 -12.774 14.613 6.655 1.00 42.32 O ATOM 448 CB LYS A 29 -10.439 16.252 5.282 1.00 45.12 C ATOM 449 CG LYS A 29 -9.173 17.120 5.086 1.00 33.51 C ATOM 450 CD LYS A 29 -8.891 18.114 6.234 1.00 10.23 C ATOM 451 CE LYS A 29 -9.981 19.181 6.358 1.00 4.11 C ATOM 452 NZ LYS A 29 -9.629 20.223 7.347 1.00 31.42 N ATOM 0 H LYS A 29 -8.612 14.571 5.923 1.00 53.25 H new ATOM 0 HA LYS A 29 -10.649 15.996 7.422 1.00 31.24 H new ATOM 0 HB2 LYS A 29 -10.552 15.609 4.409 1.00 45.12 H new ATOM 0 HB3 LYS A 29 -11.306 16.912 5.307 1.00 45.12 H new ATOM 0 HG2 LYS A 29 -8.311 16.462 4.973 1.00 33.51 H new ATOM 0 HG3 LYS A 29 -9.272 17.679 4.155 1.00 33.51 H new ATOM 0 HD2 LYS A 29 -8.812 17.568 7.174 1.00 10.23 H new ATOM 0 HD3 LYS A 29 -7.929 18.598 6.065 1.00 10.23 H new ATOM 0 HE2 LYS A 29 -10.146 19.645 5.386 1.00 4.11 H new ATOM 0 HE3 LYS A 29 -10.919 18.708 6.648 1.00 4.11 H new ATOM 0 HZ1 LYS A 29 -10.395 20.925 7.399 1.00 31.42 H new ATOM 0 HZ2 LYS A 29 -9.497 19.785 8.281 1.00 31.42 H new ATOM 0 HZ3 LYS A 29 -8.748 20.693 7.057 1.00 31.42 H new ATOM 466 N GLY A 30 -11.209 13.062 6.076 1.00 10.15 N ATOM 467 CA GLY A 30 -12.154 11.987 5.743 1.00 63.23 C ATOM 468 C GLY A 30 -12.243 11.742 4.244 1.00 44.52 C ATOM 469 O GLY A 30 -12.991 10.866 3.802 1.00 65.20 O ATOM 0 H GLY A 30 -10.231 12.780 6.017 1.00 10.15 H new ATOM 0 HA2 GLY A 30 -11.846 11.068 6.242 1.00 63.23 H new ATOM 0 HA3 GLY A 30 -13.142 12.242 6.127 1.00 63.23 H new ATOM 473 N ASP A 31 -11.482 12.535 3.465 1.00 33.34 N ATOM 474 CA ASP A 31 -11.452 12.462 1.995 1.00 71.24 C ATOM 475 C ASP A 31 -10.460 11.385 1.519 1.00 51.10 C ATOM 476 O ASP A 31 -9.245 11.560 1.620 1.00 74.23 O ATOM 477 CB ASP A 31 -11.070 13.851 1.394 1.00 60.35 C ATOM 478 CG ASP A 31 -12.179 14.911 1.544 1.00 21.30 C ATOM 479 OD1 ASP A 31 -12.229 15.604 2.579 1.00 74.31 O ATOM 480 OD2 ASP A 31 -13.011 15.053 0.624 1.00 53.22 O ATOM 0 H ASP A 31 -10.864 13.252 3.845 1.00 33.34 H new ATOM 0 HA ASP A 31 -12.447 12.187 1.646 1.00 71.24 H new ATOM 0 HB2 ASP A 31 -10.164 14.212 1.881 1.00 60.35 H new ATOM 0 HB3 ASP A 31 -10.836 13.729 0.337 1.00 60.35 H new ATOM 485 N TYR A 32 -10.997 10.258 1.030 1.00 51.12 N ATOM 486 CA TYR A 32 -10.212 9.184 0.386 1.00 41.51 C ATOM 487 C TYR A 32 -10.154 9.370 -1.164 1.00 12.42 C ATOM 488 O TYR A 32 -9.058 9.300 -1.726 1.00 42.44 O ATOM 489 CB TYR A 32 -10.756 7.771 0.776 1.00 71.10 C ATOM 490 CG TYR A 32 -10.340 7.294 2.177 1.00 24.01 C ATOM 491 CD1 TYR A 32 -10.722 7.995 3.325 1.00 5.33 C ATOM 492 CD2 TYR A 32 -9.560 6.144 2.347 1.00 1.13 C ATOM 493 CE1 TYR A 32 -10.342 7.566 4.583 1.00 14.51 C ATOM 494 CE2 TYR A 32 -9.179 5.715 3.602 1.00 52.45 C ATOM 495 CZ TYR A 32 -9.571 6.428 4.716 1.00 3.14 C ATOM 496 OH TYR A 32 -9.198 5.994 5.972 1.00 21.20 O ATOM 0 H TYR A 32 -11.997 10.060 1.069 1.00 51.12 H new ATOM 0 HA TYR A 32 -9.190 9.254 0.759 1.00 41.51 H new ATOM 0 HB2 TYR A 32 -11.844 7.786 0.719 1.00 71.10 H new ATOM 0 HB3 TYR A 32 -10.408 7.046 0.041 1.00 71.10 H new ATOM 0 HD1 TYR A 32 -11.324 8.886 3.227 1.00 5.33 H new ATOM 0 HD2 TYR A 32 -9.250 5.581 1.479 1.00 1.13 H new ATOM 0 HE1 TYR A 32 -10.647 8.119 5.459 1.00 14.51 H new ATOM 0 HE2 TYR A 32 -8.577 4.825 3.712 1.00 52.45 H new ATOM 0 HH TYR A 32 -8.659 5.180 5.890 1.00 21.20 H new ATOM 506 N PRO A 33 -11.313 9.595 -1.910 1.00 43.40 N ATOM 507 CA PRO A 33 -11.261 9.815 -3.379 1.00 75.25 C ATOM 508 C PRO A 33 -10.533 11.124 -3.769 1.00 31.01 C ATOM 509 O PRO A 33 -9.692 11.127 -4.685 1.00 25.10 O ATOM 510 CB PRO A 33 -12.755 9.819 -3.804 1.00 13.11 C ATOM 511 CG PRO A 33 -13.520 10.170 -2.569 1.00 20.52 C ATOM 512 CD PRO A 33 -12.728 9.582 -1.424 1.00 21.23 C ATOM 0 HA PRO A 33 -10.682 9.045 -3.888 1.00 75.25 H new ATOM 0 HB2 PRO A 33 -12.936 10.545 -4.597 1.00 13.11 H new ATOM 0 HB3 PRO A 33 -13.056 8.845 -4.189 1.00 13.11 H new ATOM 0 HG2 PRO A 33 -13.620 11.250 -2.463 1.00 20.52 H new ATOM 0 HG3 PRO A 33 -14.529 9.758 -2.601 1.00 20.52 H new ATOM 0 HD2 PRO A 33 -12.842 10.174 -0.516 1.00 21.23 H new ATOM 0 HD3 PRO A 33 -13.059 8.570 -1.189 1.00 21.23 H new ATOM 520 N GLN A 34 -10.838 12.220 -3.042 1.00 31.22 N ATOM 521 CA GLN A 34 -10.155 13.521 -3.226 1.00 11.11 C ATOM 522 C GLN A 34 -8.649 13.390 -2.965 1.00 53.32 C ATOM 523 O GLN A 34 -7.848 14.070 -3.616 1.00 33.12 O ATOM 524 CB GLN A 34 -10.774 14.614 -2.309 1.00 31.43 C ATOM 525 CG GLN A 34 -12.141 15.148 -2.772 1.00 40.33 C ATOM 526 CD GLN A 34 -12.037 16.011 -4.033 1.00 63.51 C ATOM 527 OE1 GLN A 34 -11.856 17.228 -3.958 1.00 1.11 O ATOM 528 NE2 GLN A 34 -12.123 15.396 -5.198 1.00 52.25 N ATOM 0 H GLN A 34 -11.557 12.230 -2.318 1.00 31.22 H new ATOM 0 HA GLN A 34 -10.299 13.827 -4.262 1.00 11.11 H new ATOM 0 HB2 GLN A 34 -10.881 14.207 -1.304 1.00 31.43 H new ATOM 0 HB3 GLN A 34 -10.077 15.450 -2.242 1.00 31.43 H new ATOM 0 HG2 GLN A 34 -12.809 14.309 -2.964 1.00 40.33 H new ATOM 0 HG3 GLN A 34 -12.589 15.735 -1.970 1.00 40.33 H new ATOM 0 HE21 GLN A 34 -12.273 14.388 -5.233 1.00 52.25 H new ATOM 0 HE22 GLN A 34 -12.039 15.929 -6.064 1.00 52.25 H new ATOM 537 N ALA A 35 -8.279 12.478 -2.033 1.00 1.25 N ATOM 538 CA ALA A 35 -6.877 12.179 -1.714 1.00 54.41 C ATOM 539 C ALA A 35 -6.134 11.626 -2.937 1.00 11.15 C ATOM 540 O ALA A 35 -4.960 11.935 -3.120 1.00 10.21 O ATOM 541 CB ALA A 35 -6.775 11.193 -0.535 1.00 41.33 C ATOM 0 H ALA A 35 -8.948 11.935 -1.487 1.00 1.25 H new ATOM 0 HA ALA A 35 -6.402 13.115 -1.421 1.00 54.41 H new ATOM 0 HB1 ALA A 35 -5.726 10.990 -0.321 1.00 41.33 H new ATOM 0 HB2 ALA A 35 -7.247 11.629 0.345 1.00 41.33 H new ATOM 0 HB3 ALA A 35 -7.279 10.262 -0.794 1.00 41.33 H new ATOM 547 N MET A 36 -6.841 10.855 -3.802 1.00 43.45 N ATOM 548 CA MET A 36 -6.211 10.201 -4.976 1.00 71.32 C ATOM 549 C MET A 36 -5.742 11.270 -5.988 1.00 22.20 C ATOM 550 O MET A 36 -4.657 11.166 -6.578 1.00 74.33 O ATOM 551 CB MET A 36 -7.207 9.218 -5.652 1.00 54.11 C ATOM 552 CG MET A 36 -7.844 8.193 -4.703 1.00 14.43 C ATOM 553 SD MET A 36 -8.942 7.033 -5.553 1.00 71.22 S ATOM 554 CE MET A 36 -10.090 8.108 -6.414 1.00 62.40 C ATOM 0 H MET A 36 -7.840 10.672 -3.709 1.00 43.45 H new ATOM 0 HA MET A 36 -5.345 9.633 -4.636 1.00 71.32 H new ATOM 0 HB2 MET A 36 -8.001 9.796 -6.126 1.00 54.11 H new ATOM 0 HB3 MET A 36 -6.685 8.683 -6.445 1.00 54.11 H new ATOM 0 HG2 MET A 36 -7.056 7.635 -4.197 1.00 14.43 H new ATOM 0 HG3 MET A 36 -8.407 8.720 -3.932 1.00 14.43 H new ATOM 0 HE1 MET A 36 -11.095 7.690 -6.354 1.00 62.40 H new ATOM 0 HE2 MET A 36 -10.080 9.095 -5.953 1.00 62.40 H new ATOM 0 HE3 MET A 36 -9.794 8.193 -7.460 1.00 62.40 H new ATOM 564 N LYS A 37 -6.570 12.316 -6.119 1.00 25.35 N ATOM 565 CA LYS A 37 -6.343 13.453 -7.035 1.00 25.34 C ATOM 566 C LYS A 37 -5.360 14.459 -6.417 1.00 70.43 C ATOM 567 O LYS A 37 -4.571 15.103 -7.120 1.00 44.22 O ATOM 568 CB LYS A 37 -7.701 14.132 -7.326 1.00 43.35 C ATOM 569 CG LYS A 37 -8.756 13.149 -7.869 1.00 25.01 C ATOM 570 CD LYS A 37 -10.151 13.783 -8.031 1.00 61.10 C ATOM 571 CE LYS A 37 -11.166 12.801 -8.637 1.00 21.44 C ATOM 572 NZ LYS A 37 -11.204 11.513 -7.897 1.00 41.45 N ATOM 0 H LYS A 37 -7.434 12.401 -5.583 1.00 25.35 H new ATOM 0 HA LYS A 37 -5.905 13.091 -7.965 1.00 25.34 H new ATOM 0 HB2 LYS A 37 -8.076 14.591 -6.411 1.00 43.35 H new ATOM 0 HB3 LYS A 37 -7.553 14.935 -8.048 1.00 43.35 H new ATOM 0 HG2 LYS A 37 -8.424 12.766 -8.834 1.00 25.01 H new ATOM 0 HG3 LYS A 37 -8.828 12.295 -7.195 1.00 25.01 H new ATOM 0 HD2 LYS A 37 -10.510 14.121 -7.059 1.00 61.10 H new ATOM 0 HD3 LYS A 37 -10.076 14.665 -8.667 1.00 61.10 H new ATOM 0 HE2 LYS A 37 -12.158 13.253 -8.629 1.00 21.44 H new ATOM 0 HE3 LYS A 37 -10.910 12.613 -9.680 1.00 21.44 H new ATOM 0 HZ1 LYS A 37 -12.012 10.947 -8.227 1.00 41.45 H new ATOM 0 HZ2 LYS A 37 -10.322 10.989 -8.067 1.00 41.45 H new ATOM 0 HZ3 LYS A 37 -11.305 11.700 -6.879 1.00 41.45 H new ATOM 586 N HIS A 38 -5.418 14.558 -5.084 1.00 54.43 N ATOM 587 CA HIS A 38 -4.578 15.466 -4.284 1.00 51.34 C ATOM 588 C HIS A 38 -3.156 14.886 -4.118 1.00 63.23 C ATOM 589 O HIS A 38 -2.236 15.586 -3.706 1.00 13.30 O ATOM 590 CB HIS A 38 -5.253 15.718 -2.913 1.00 4.54 C ATOM 591 CG HIS A 38 -4.863 17.002 -2.248 1.00 62.32 C ATOM 592 ND1 HIS A 38 -4.105 17.066 -1.107 1.00 42.11 N ATOM 593 CD2 HIS A 38 -5.195 18.279 -2.543 1.00 52.43 C ATOM 594 CE1 HIS A 38 -4.001 18.315 -0.728 1.00 11.23 C ATOM 595 NE2 HIS A 38 -4.644 19.077 -1.581 1.00 35.11 N ATOM 0 H HIS A 38 -6.059 14.002 -4.519 1.00 54.43 H new ATOM 0 HA HIS A 38 -4.480 16.420 -4.801 1.00 51.34 H new ATOM 0 HB2 HIS A 38 -6.334 15.709 -3.049 1.00 4.54 H new ATOM 0 HB3 HIS A 38 -5.009 14.891 -2.246 1.00 4.54 H new ATOM 0 HD2 HIS A 38 -5.787 18.608 -3.384 1.00 52.43 H new ATOM 0 HE1 HIS A 38 -3.471 18.662 0.147 1.00 11.23 H new ATOM 0 HE2 HIS A 38 -4.720 20.093 -1.534 1.00 35.11 H new ATOM 604 N TYR A 39 -3.023 13.566 -4.335 1.00 34.34 N ATOM 605 CA TYR A 39 -1.720 12.886 -4.426 1.00 22.11 C ATOM 606 C TYR A 39 -1.143 12.945 -5.843 1.00 50.00 C ATOM 607 O TYR A 39 0.053 12.744 -6.003 1.00 74.03 O ATOM 608 CB TYR A 39 -1.798 11.411 -3.936 1.00 62.23 C ATOM 609 CG TYR A 39 -1.591 11.247 -2.425 1.00 63.20 C ATOM 610 CD1 TYR A 39 -0.362 11.562 -1.838 1.00 54.22 C ATOM 611 CD2 TYR A 39 -2.610 10.801 -1.587 1.00 42.13 C ATOM 612 CE1 TYR A 39 -0.162 11.426 -0.480 1.00 34.04 C ATOM 613 CE2 TYR A 39 -2.411 10.671 -0.237 1.00 71.13 C ATOM 614 CZ TYR A 39 -1.191 10.985 0.313 1.00 64.31 C ATOM 615 OH TYR A 39 -1.001 10.864 1.668 1.00 33.54 O ATOM 0 H TYR A 39 -3.819 12.939 -4.453 1.00 34.34 H new ATOM 0 HA TYR A 39 -1.045 13.427 -3.763 1.00 22.11 H new ATOM 0 HB2 TYR A 39 -2.770 10.999 -4.207 1.00 62.23 H new ATOM 0 HB3 TYR A 39 -1.046 10.823 -4.462 1.00 62.23 H new ATOM 0 HD1 TYR A 39 0.446 11.919 -2.459 1.00 54.22 H new ATOM 0 HD2 TYR A 39 -3.573 10.553 -2.008 1.00 42.13 H new ATOM 0 HE1 TYR A 39 0.797 11.665 -0.044 1.00 34.04 H new ATOM 0 HE2 TYR A 39 -3.214 10.321 0.395 1.00 71.13 H new ATOM 0 HH TYR A 39 -0.613 9.986 1.867 1.00 33.54 H new ATOM 625 N THR A 40 -1.980 13.200 -6.870 1.00 12.01 N ATOM 626 CA THR A 40 -1.503 13.249 -8.272 1.00 22.44 C ATOM 627 C THR A 40 -0.440 14.363 -8.442 1.00 61.44 C ATOM 628 O THR A 40 0.573 14.168 -9.120 1.00 71.24 O ATOM 629 CB THR A 40 -2.686 13.458 -9.270 1.00 11.42 C ATOM 630 OG1 THR A 40 -3.688 12.455 -9.037 1.00 70.42 O ATOM 631 CG2 THR A 40 -2.231 13.387 -10.740 1.00 12.24 C ATOM 0 H THR A 40 -2.979 13.374 -6.760 1.00 12.01 H new ATOM 0 HA THR A 40 -1.042 12.289 -8.503 1.00 22.44 H new ATOM 0 HB THR A 40 -3.090 14.455 -9.096 1.00 11.42 H new ATOM 0 HG1 THR A 40 -3.856 12.377 -8.075 1.00 70.42 H new ATOM 0 HG21 THR A 40 -3.090 13.538 -11.394 1.00 12.24 H new ATOM 0 HG22 THR A 40 -1.489 14.163 -10.929 1.00 12.24 H new ATOM 0 HG23 THR A 40 -1.792 12.409 -10.938 1.00 12.24 H new ATOM 639 N GLU A 41 -0.671 15.502 -7.754 1.00 23.35 N ATOM 640 CA GLU A 41 0.281 16.630 -7.694 1.00 11.31 C ATOM 641 C GLU A 41 1.577 16.224 -6.949 1.00 73.30 C ATOM 642 O GLU A 41 2.663 16.733 -7.249 1.00 41.21 O ATOM 643 CB GLU A 41 -0.378 17.851 -6.994 1.00 43.21 C ATOM 644 CG GLU A 41 -0.812 17.570 -5.546 1.00 5.53 C ATOM 645 CD GLU A 41 -1.341 18.787 -4.778 1.00 43.23 C ATOM 646 OE1 GLU A 41 -0.627 19.812 -4.700 1.00 10.15 O ATOM 647 OE2 GLU A 41 -2.462 18.721 -4.227 1.00 44.21 O ATOM 0 H GLU A 41 -1.527 15.665 -7.223 1.00 23.35 H new ATOM 0 HA GLU A 41 0.547 16.905 -8.715 1.00 11.31 H new ATOM 0 HB2 GLU A 41 0.324 18.685 -6.999 1.00 43.21 H new ATOM 0 HB3 GLU A 41 -1.248 18.164 -7.571 1.00 43.21 H new ATOM 0 HG2 GLU A 41 -1.586 16.803 -5.557 1.00 5.53 H new ATOM 0 HG3 GLU A 41 0.038 17.158 -5.002 1.00 5.53 H new ATOM 654 N ALA A 42 1.437 15.307 -5.966 1.00 43.44 N ATOM 655 CA ALA A 42 2.565 14.788 -5.175 1.00 33.52 C ATOM 656 C ALA A 42 3.425 13.830 -6.008 1.00 13.33 C ATOM 657 O ALA A 42 4.638 13.794 -5.846 1.00 32.24 O ATOM 658 CB ALA A 42 2.058 14.104 -3.891 1.00 52.32 C ATOM 0 H ALA A 42 0.536 14.908 -5.702 1.00 43.44 H new ATOM 0 HA ALA A 42 3.193 15.630 -4.884 1.00 33.52 H new ATOM 0 HB1 ALA A 42 2.907 13.727 -3.320 1.00 52.32 H new ATOM 0 HB2 ALA A 42 1.507 14.825 -3.288 1.00 52.32 H new ATOM 0 HB3 ALA A 42 1.402 13.275 -4.155 1.00 52.32 H new ATOM 664 N ILE A 43 2.778 13.082 -6.921 1.00 61.44 N ATOM 665 CA ILE A 43 3.455 12.175 -7.876 1.00 14.43 C ATOM 666 C ILE A 43 4.321 12.997 -8.866 1.00 74.20 C ATOM 667 O ILE A 43 5.384 12.539 -9.311 1.00 52.53 O ATOM 668 CB ILE A 43 2.382 11.255 -8.629 1.00 43.04 C ATOM 669 CG1 ILE A 43 2.082 9.939 -7.824 1.00 72.31 C ATOM 670 CG2 ILE A 43 2.789 10.907 -10.086 1.00 50.32 C ATOM 671 CD1 ILE A 43 1.554 10.112 -6.411 1.00 43.41 C ATOM 0 H ILE A 43 1.763 13.088 -7.020 1.00 61.44 H new ATOM 0 HA ILE A 43 4.123 11.508 -7.331 1.00 14.43 H new ATOM 0 HB ILE A 43 1.472 11.853 -8.683 1.00 43.04 H new ATOM 0 HG12 ILE A 43 1.358 9.352 -8.389 1.00 72.31 H new ATOM 0 HG13 ILE A 43 3.000 9.353 -7.775 1.00 72.31 H new ATOM 0 HG21 ILE A 43 2.020 10.282 -10.539 1.00 50.32 H new ATOM 0 HG22 ILE A 43 2.897 11.826 -10.663 1.00 50.32 H new ATOM 0 HG23 ILE A 43 3.737 10.369 -10.080 1.00 50.32 H new ATOM 0 HD11 ILE A 43 1.387 9.133 -5.963 1.00 43.41 H new ATOM 0 HD12 ILE A 43 2.281 10.664 -5.816 1.00 43.41 H new ATOM 0 HD13 ILE A 43 0.614 10.663 -6.439 1.00 43.41 H new ATOM 683 N LYS A 44 3.857 14.227 -9.180 1.00 61.25 N ATOM 684 CA LYS A 44 4.601 15.184 -10.035 1.00 3.23 C ATOM 685 C LYS A 44 5.893 15.660 -9.337 1.00 43.42 C ATOM 686 O LYS A 44 6.888 15.989 -9.990 1.00 25.13 O ATOM 687 CB LYS A 44 3.717 16.416 -10.376 1.00 14.33 C ATOM 688 CG LYS A 44 2.350 16.078 -11.000 1.00 44.41 C ATOM 689 CD LYS A 44 2.457 15.257 -12.306 1.00 44.11 C ATOM 690 CE LYS A 44 1.073 14.932 -12.902 1.00 41.53 C ATOM 691 NZ LYS A 44 0.298 16.162 -13.223 1.00 10.43 N ATOM 0 H LYS A 44 2.960 14.585 -8.851 1.00 61.25 H new ATOM 0 HA LYS A 44 4.867 14.665 -10.956 1.00 3.23 H new ATOM 0 HB2 LYS A 44 3.552 16.991 -9.465 1.00 14.33 H new ATOM 0 HB3 LYS A 44 4.265 17.060 -11.064 1.00 14.33 H new ATOM 0 HG2 LYS A 44 1.757 15.519 -10.276 1.00 44.41 H new ATOM 0 HG3 LYS A 44 1.813 17.004 -11.205 1.00 44.41 H new ATOM 0 HD2 LYS A 44 3.044 15.814 -13.036 1.00 44.11 H new ATOM 0 HD3 LYS A 44 2.993 14.329 -12.107 1.00 44.11 H new ATOM 0 HE2 LYS A 44 1.199 14.337 -13.807 1.00 41.53 H new ATOM 0 HE3 LYS A 44 0.509 14.323 -12.196 1.00 41.53 H new ATOM 0 HZ1 LYS A 44 -0.538 15.908 -13.787 1.00 10.43 H new ATOM 0 HZ2 LYS A 44 -0.006 16.621 -12.341 1.00 10.43 H new ATOM 0 HZ3 LYS A 44 0.896 16.817 -13.766 1.00 10.43 H new ATOM 705 N ARG A 45 5.847 15.695 -7.998 1.00 24.24 N ATOM 706 CA ARG A 45 6.957 16.168 -7.158 1.00 22.13 C ATOM 707 C ARG A 45 7.977 15.034 -6.898 1.00 20.40 C ATOM 708 O ARG A 45 9.153 15.140 -7.272 1.00 34.25 O ATOM 709 CB ARG A 45 6.378 16.713 -5.832 1.00 31.32 C ATOM 710 CG ARG A 45 5.473 17.958 -5.957 1.00 31.44 C ATOM 711 CD ARG A 45 6.246 19.234 -6.306 1.00 4.54 C ATOM 712 NE ARG A 45 5.407 20.430 -6.140 1.00 21.02 N ATOM 713 CZ ARG A 45 5.773 21.687 -6.422 1.00 50.22 C ATOM 714 NH1 ARG A 45 6.982 21.970 -6.913 1.00 24.44 N ATOM 715 NH2 ARG A 45 4.922 22.674 -6.187 1.00 11.30 N ATOM 0 H ARG A 45 5.032 15.394 -7.463 1.00 24.24 H new ATOM 0 HA ARG A 45 7.491 16.966 -7.674 1.00 22.13 H new ATOM 0 HB2 ARG A 45 5.807 15.918 -5.353 1.00 31.32 H new ATOM 0 HB3 ARG A 45 7.207 16.955 -5.167 1.00 31.32 H new ATOM 0 HG2 ARG A 45 4.720 17.776 -6.724 1.00 31.44 H new ATOM 0 HG3 ARG A 45 4.941 18.109 -5.017 1.00 31.44 H new ATOM 0 HD2 ARG A 45 7.127 19.314 -5.669 1.00 4.54 H new ATOM 0 HD3 ARG A 45 6.601 19.176 -7.335 1.00 4.54 H new ATOM 0 HE ARG A 45 4.464 20.290 -5.778 1.00 21.02 H new ATOM 0 HH11 ARG A 45 7.652 21.220 -7.082 1.00 24.44 H new ATOM 0 HH12 ARG A 45 7.235 22.936 -7.119 1.00 24.44 H new ATOM 0 HH21 ARG A 45 4.002 22.472 -5.796 1.00 11.30 H new ATOM 0 HH22 ARG A 45 5.187 23.636 -6.397 1.00 11.30 H new ATOM 729 N ASN A 46 7.504 13.938 -6.263 1.00 61.04 N ATOM 730 CA ASN A 46 8.332 12.743 -5.951 1.00 60.54 C ATOM 731 C ASN A 46 7.805 11.463 -6.652 1.00 42.33 C ATOM 732 O ASN A 46 7.087 10.658 -6.052 1.00 74.33 O ATOM 733 CB ASN A 46 8.485 12.525 -4.400 1.00 40.34 C ATOM 734 CG ASN A 46 7.194 12.621 -3.542 1.00 71.20 C ATOM 735 OD1 ASN A 46 7.256 12.990 -2.368 1.00 33.51 O ATOM 736 ND2 ASN A 46 6.035 12.288 -4.079 1.00 64.43 N ATOM 0 H ASN A 46 6.537 13.854 -5.951 1.00 61.04 H new ATOM 0 HA ASN A 46 9.325 12.942 -6.354 1.00 60.54 H new ATOM 0 HB2 ASN A 46 8.926 11.542 -4.238 1.00 40.34 H new ATOM 0 HB3 ASN A 46 9.197 13.260 -4.024 1.00 40.34 H new ATOM 0 HD21 ASN A 46 5.182 12.335 -3.521 1.00 64.43 H new ATOM 0 HD22 ASN A 46 5.992 11.984 -5.052 1.00 64.43 H new ATOM 743 N PRO A 47 8.155 11.247 -7.956 1.00 5.34 N ATOM 744 CA PRO A 47 7.946 9.941 -8.610 1.00 15.35 C ATOM 745 C PRO A 47 9.019 8.907 -8.191 1.00 32.35 C ATOM 746 O PRO A 47 9.011 7.782 -8.676 1.00 5.41 O ATOM 747 CB PRO A 47 8.034 10.291 -10.117 1.00 50.24 C ATOM 748 CG PRO A 47 8.972 11.457 -10.179 1.00 30.44 C ATOM 749 CD PRO A 47 8.730 12.245 -8.903 1.00 52.21 C ATOM 0 HA PRO A 47 7.001 9.472 -8.336 1.00 15.35 H new ATOM 0 HB2 PRO A 47 8.409 9.449 -10.698 1.00 50.24 H new ATOM 0 HB3 PRO A 47 7.055 10.547 -10.522 1.00 50.24 H new ATOM 0 HG2 PRO A 47 10.008 11.124 -10.243 1.00 30.44 H new ATOM 0 HG3 PRO A 47 8.779 12.069 -11.060 1.00 30.44 H new ATOM 0 HD2 PRO A 47 9.656 12.671 -8.517 1.00 52.21 H new ATOM 0 HD3 PRO A 47 8.043 13.074 -9.072 1.00 52.21 H new ATOM 757 N LYS A 48 9.937 9.317 -7.284 1.00 35.42 N ATOM 758 CA LYS A 48 10.999 8.441 -6.746 1.00 1.34 C ATOM 759 C LYS A 48 10.501 7.713 -5.484 1.00 50.33 C ATOM 760 O LYS A 48 11.050 6.680 -5.095 1.00 53.41 O ATOM 761 CB LYS A 48 12.288 9.249 -6.373 1.00 45.30 C ATOM 762 CG LYS A 48 12.777 10.308 -7.403 1.00 34.33 C ATOM 763 CD LYS A 48 12.085 11.686 -7.220 1.00 42.40 C ATOM 764 CE LYS A 48 12.719 12.786 -8.076 1.00 72.14 C ATOM 765 NZ LYS A 48 12.070 14.110 -7.872 1.00 20.30 N ATOM 0 H LYS A 48 9.960 10.264 -6.906 1.00 35.42 H new ATOM 0 HA LYS A 48 11.246 7.724 -7.529 1.00 1.34 H new ATOM 0 HB2 LYS A 48 12.108 9.756 -5.425 1.00 45.30 H new ATOM 0 HB3 LYS A 48 13.098 8.538 -6.206 1.00 45.30 H new ATOM 0 HG2 LYS A 48 13.856 10.432 -7.306 1.00 34.33 H new ATOM 0 HG3 LYS A 48 12.587 9.942 -8.412 1.00 34.33 H new ATOM 0 HD2 LYS A 48 11.030 11.595 -7.477 1.00 42.40 H new ATOM 0 HD3 LYS A 48 12.133 11.975 -6.170 1.00 42.40 H new ATOM 0 HE2 LYS A 48 13.779 12.864 -7.836 1.00 72.14 H new ATOM 0 HE3 LYS A 48 12.650 12.509 -9.128 1.00 72.14 H new ATOM 0 HZ1 LYS A 48 12.076 14.641 -8.766 1.00 20.30 H new ATOM 0 HZ2 LYS A 48 11.088 13.971 -7.558 1.00 20.30 H new ATOM 0 HZ3 LYS A 48 12.592 14.645 -7.149 1.00 20.30 H new ATOM 779 N ASP A 49 9.464 8.288 -4.854 1.00 11.45 N ATOM 780 CA ASP A 49 9.009 7.887 -3.517 1.00 60.44 C ATOM 781 C ASP A 49 7.940 6.787 -3.649 1.00 11.53 C ATOM 782 O ASP A 49 6.868 7.033 -4.195 1.00 41.53 O ATOM 783 CB ASP A 49 8.460 9.135 -2.773 1.00 52.11 C ATOM 784 CG ASP A 49 8.313 8.924 -1.263 1.00 54.03 C ATOM 785 OD1 ASP A 49 7.403 8.203 -0.851 1.00 54.52 O ATOM 786 OD2 ASP A 49 9.118 9.482 -0.486 1.00 44.23 O ATOM 0 H ASP A 49 8.917 9.047 -5.261 1.00 11.45 H new ATOM 0 HA ASP A 49 9.837 7.481 -2.936 1.00 60.44 H new ATOM 0 HB2 ASP A 49 9.127 9.979 -2.952 1.00 52.11 H new ATOM 0 HB3 ASP A 49 7.490 9.401 -3.192 1.00 52.11 H new ATOM 791 N ALA A 50 8.249 5.584 -3.132 1.00 35.42 N ATOM 792 CA ALA A 50 7.430 4.372 -3.337 1.00 2.01 C ATOM 793 C ALA A 50 6.137 4.386 -2.509 1.00 32.23 C ATOM 794 O ALA A 50 5.051 4.105 -3.038 1.00 32.30 O ATOM 795 CB ALA A 50 8.262 3.126 -3.011 1.00 45.41 C ATOM 0 H ALA A 50 9.077 5.423 -2.558 1.00 35.42 H new ATOM 0 HA ALA A 50 7.130 4.352 -4.385 1.00 2.01 H new ATOM 0 HB1 ALA A 50 7.655 2.233 -3.163 1.00 45.41 H new ATOM 0 HB2 ALA A 50 9.133 3.089 -3.665 1.00 45.41 H new ATOM 0 HB3 ALA A 50 8.590 3.169 -1.972 1.00 45.41 H new ATOM 801 N LYS A 51 6.262 4.723 -1.211 1.00 54.42 N ATOM 802 CA LYS A 51 5.132 4.694 -0.265 1.00 13.43 C ATOM 803 C LYS A 51 4.075 5.759 -0.624 1.00 74.42 C ATOM 804 O LYS A 51 2.899 5.576 -0.333 1.00 4.31 O ATOM 805 CB LYS A 51 5.638 4.925 1.177 1.00 43.33 C ATOM 806 CG LYS A 51 6.384 6.273 1.346 1.00 50.12 C ATOM 807 CD LYS A 51 6.155 6.945 2.695 1.00 63.51 C ATOM 808 CE LYS A 51 6.888 6.249 3.848 1.00 5.02 C ATOM 809 NZ LYS A 51 8.370 6.321 3.685 1.00 71.24 N ATOM 0 H LYS A 51 7.143 5.021 -0.792 1.00 54.42 H new ATOM 0 HA LYS A 51 4.665 3.712 -0.332 1.00 13.43 H new ATOM 0 HB2 LYS A 51 4.791 4.896 1.863 1.00 43.33 H new ATOM 0 HB3 LYS A 51 6.304 4.109 1.458 1.00 43.33 H new ATOM 0 HG2 LYS A 51 7.453 6.104 1.213 1.00 50.12 H new ATOM 0 HG3 LYS A 51 6.068 6.953 0.555 1.00 50.12 H new ATOM 0 HD2 LYS A 51 6.484 7.983 2.637 1.00 63.51 H new ATOM 0 HD3 LYS A 51 5.086 6.961 2.909 1.00 63.51 H new ATOM 0 HE2 LYS A 51 6.603 6.712 4.793 1.00 5.02 H new ATOM 0 HE3 LYS A 51 6.578 5.205 3.899 1.00 5.02 H new ATOM 0 HZ1 LYS A 51 8.831 6.059 4.580 1.00 71.24 H new ATOM 0 HZ2 LYS A 51 8.669 5.665 2.936 1.00 71.24 H new ATOM 0 HZ3 LYS A 51 8.644 7.290 3.426 1.00 71.24 H new ATOM 823 N LEU A 52 4.533 6.883 -1.214 1.00 24.22 N ATOM 824 CA LEU A 52 3.656 7.954 -1.759 1.00 11.01 C ATOM 825 C LEU A 52 2.639 7.413 -2.776 1.00 43.01 C ATOM 826 O LEU A 52 1.529 7.955 -2.908 1.00 42.45 O ATOM 827 CB LEU A 52 4.526 9.102 -2.383 1.00 43.20 C ATOM 828 CG LEU A 52 4.556 10.439 -1.577 1.00 4.11 C ATOM 829 CD1 LEU A 52 3.245 11.231 -1.761 1.00 55.14 C ATOM 830 CD2 LEU A 52 4.856 10.185 -0.073 1.00 34.04 C ATOM 0 H LEU A 52 5.527 7.079 -1.329 1.00 24.22 H new ATOM 0 HA LEU A 52 3.079 8.362 -0.929 1.00 11.01 H new ATOM 0 HB2 LEU A 52 5.549 8.741 -2.491 1.00 43.20 H new ATOM 0 HB3 LEU A 52 4.154 9.311 -3.386 1.00 43.20 H new ATOM 0 HG LEU A 52 5.368 11.047 -1.976 1.00 4.11 H new ATOM 0 HD11 LEU A 52 3.296 12.157 -1.188 1.00 55.14 H new ATOM 0 HD12 LEU A 52 3.106 11.465 -2.817 1.00 55.14 H new ATOM 0 HD13 LEU A 52 2.405 10.632 -1.409 1.00 55.14 H new ATOM 0 HD21 LEU A 52 4.870 11.135 0.461 1.00 34.04 H new ATOM 0 HD22 LEU A 52 4.083 9.543 0.349 1.00 34.04 H new ATOM 0 HD23 LEU A 52 5.826 9.698 0.027 1.00 34.04 H new ATOM 842 N TYR A 53 3.039 6.361 -3.499 1.00 34.22 N ATOM 843 CA TYR A 53 2.142 5.629 -4.400 1.00 33.51 C ATOM 844 C TYR A 53 1.283 4.680 -3.564 1.00 62.32 C ATOM 845 O TYR A 53 0.087 4.889 -3.453 1.00 20.12 O ATOM 846 CB TYR A 53 2.934 4.854 -5.487 1.00 13.14 C ATOM 847 CG TYR A 53 3.546 5.758 -6.561 1.00 1.51 C ATOM 848 CD1 TYR A 53 4.686 6.521 -6.302 1.00 0.43 C ATOM 849 CD2 TYR A 53 2.966 5.862 -7.823 1.00 10.31 C ATOM 850 CE1 TYR A 53 5.227 7.350 -7.260 1.00 11.22 C ATOM 851 CE2 TYR A 53 3.500 6.695 -8.781 1.00 20.34 C ATOM 852 CZ TYR A 53 4.631 7.434 -8.496 1.00 40.31 C ATOM 853 OH TYR A 53 5.150 8.280 -9.443 1.00 20.41 O ATOM 0 H TYR A 53 3.990 5.994 -3.476 1.00 34.22 H new ATOM 0 HA TYR A 53 1.503 6.338 -4.926 1.00 33.51 H new ATOM 0 HB2 TYR A 53 3.730 4.284 -5.008 1.00 13.14 H new ATOM 0 HB3 TYR A 53 2.269 4.134 -5.965 1.00 13.14 H new ATOM 0 HD1 TYR A 53 5.154 6.460 -5.330 1.00 0.43 H new ATOM 0 HD2 TYR A 53 2.085 5.281 -8.054 1.00 10.31 H new ATOM 0 HE1 TYR A 53 6.112 7.929 -7.042 1.00 11.22 H new ATOM 0 HE2 TYR A 53 3.035 6.770 -9.753 1.00 20.34 H new ATOM 0 HH TYR A 53 4.615 8.222 -10.262 1.00 20.41 H new ATOM 863 N SER A 54 1.948 3.722 -2.883 1.00 21.53 N ATOM 864 CA SER A 54 1.303 2.601 -2.156 1.00 14.05 C ATOM 865 C SER A 54 0.303 3.042 -1.044 1.00 74.43 C ATOM 866 O SER A 54 -0.534 2.238 -0.607 1.00 23.44 O ATOM 867 CB SER A 54 2.397 1.695 -1.558 1.00 41.02 C ATOM 868 OG SER A 54 1.834 0.561 -0.924 1.00 70.23 O ATOM 0 H SER A 54 2.966 3.703 -2.820 1.00 21.53 H new ATOM 0 HA SER A 54 0.701 2.062 -2.887 1.00 14.05 H new ATOM 0 HB2 SER A 54 3.077 1.373 -2.346 1.00 41.02 H new ATOM 0 HB3 SER A 54 2.988 2.261 -0.838 1.00 41.02 H new ATOM 0 HG SER A 54 1.688 0.756 0.025 1.00 70.23 H new ATOM 874 N ASN A 55 0.417 4.295 -0.572 1.00 44.34 N ATOM 875 CA ASN A 55 -0.505 4.882 0.431 1.00 52.41 C ATOM 876 C ASN A 55 -1.926 5.024 -0.162 1.00 12.24 C ATOM 877 O ASN A 55 -2.939 4.933 0.553 1.00 73.32 O ATOM 878 CB ASN A 55 0.046 6.256 0.904 1.00 42.22 C ATOM 879 CG ASN A 55 -0.781 6.934 1.996 1.00 60.15 C ATOM 880 OD1 ASN A 55 -0.685 8.242 2.072 1.00 72.31 O flip ATOM 881 ND2 ASN A 55 -1.474 6.292 2.782 1.00 32.50 N flip ATOM 0 H ASN A 55 1.151 4.936 -0.873 1.00 44.34 H new ATOM 0 HA ASN A 55 -0.570 4.219 1.294 1.00 52.41 H new ATOM 0 HB2 ASN A 55 1.063 6.118 1.271 1.00 42.22 H new ATOM 0 HB3 ASN A 55 0.105 6.924 0.045 1.00 42.22 H new ATOM 0 HD21 ASN A 55 -1.531 5.277 2.700 1.00 32.50 H new ATOM 0 HD22 ASN A 55 -1.993 6.774 3.516 1.00 32.50 H new ATOM 888 N ARG A 56 -1.969 5.226 -1.480 1.00 22.43 N ATOM 889 CA ARG A 56 -3.212 5.304 -2.251 1.00 71.51 C ATOM 890 C ARG A 56 -3.838 3.908 -2.405 1.00 61.33 C ATOM 891 O ARG A 56 -5.045 3.811 -2.564 1.00 51.40 O ATOM 892 CB ARG A 56 -2.952 5.929 -3.645 1.00 0.25 C ATOM 893 CG ARG A 56 -2.215 7.283 -3.597 1.00 0.44 C ATOM 894 CD ARG A 56 -1.994 7.884 -4.992 1.00 10.33 C ATOM 895 NE ARG A 56 -1.251 6.980 -5.889 1.00 5.10 N ATOM 896 CZ ARG A 56 -0.948 7.252 -7.168 1.00 20.22 C ATOM 897 NH1 ARG A 56 -1.315 8.403 -7.736 1.00 4.34 N ATOM 898 NH2 ARG A 56 -0.284 6.365 -7.882 1.00 14.51 N ATOM 0 H ARG A 56 -1.131 5.342 -2.050 1.00 22.43 H new ATOM 0 HA ARG A 56 -3.910 5.943 -1.709 1.00 71.51 H new ATOM 0 HB2 ARG A 56 -2.367 5.229 -4.242 1.00 0.25 H new ATOM 0 HB3 ARG A 56 -3.906 6.064 -4.155 1.00 0.25 H new ATOM 0 HG2 ARG A 56 -2.789 7.984 -2.990 1.00 0.44 H new ATOM 0 HG3 ARG A 56 -1.251 7.151 -3.105 1.00 0.44 H new ATOM 0 HD2 ARG A 56 -2.960 8.120 -5.439 1.00 10.33 H new ATOM 0 HD3 ARG A 56 -1.449 8.823 -4.897 1.00 10.33 H new ATOM 0 HE ARG A 56 -0.945 6.084 -5.510 1.00 5.10 H new ATOM 0 HH11 ARG A 56 -1.835 9.095 -7.197 1.00 4.34 H new ATOM 0 HH12 ARG A 56 -1.075 8.591 -8.709 1.00 4.34 H new ATOM 0 HH21 ARG A 56 -0.004 5.479 -7.462 1.00 14.51 H new ATOM 0 HH22 ARG A 56 -0.050 6.565 -8.855 1.00 14.51 H new ATOM 912 N ALA A 57 -3.006 2.835 -2.381 1.00 33.52 N ATOM 913 CA ALA A 57 -3.492 1.431 -2.387 1.00 63.42 C ATOM 914 C ALA A 57 -4.265 1.117 -1.099 1.00 51.43 C ATOM 915 O ALA A 57 -5.275 0.400 -1.130 1.00 21.02 O ATOM 916 CB ALA A 57 -2.329 0.444 -2.585 1.00 31.14 C ATOM 0 H ALA A 57 -1.990 2.917 -2.357 1.00 33.52 H new ATOM 0 HA ALA A 57 -4.175 1.315 -3.229 1.00 63.42 H new ATOM 0 HB1 ALA A 57 -2.713 -0.576 -2.585 1.00 31.14 H new ATOM 0 HB2 ALA A 57 -1.838 0.647 -3.537 1.00 31.14 H new ATOM 0 HB3 ALA A 57 -1.611 0.561 -1.774 1.00 31.14 H new ATOM 922 N ALA A 58 -3.786 1.688 0.024 1.00 75.45 N ATOM 923 CA ALA A 58 -4.475 1.619 1.327 1.00 63.14 C ATOM 924 C ALA A 58 -5.848 2.319 1.256 1.00 32.34 C ATOM 925 O ALA A 58 -6.800 1.917 1.931 1.00 23.41 O ATOM 926 CB ALA A 58 -3.595 2.243 2.423 1.00 64.43 C ATOM 0 H ALA A 58 -2.910 2.210 0.053 1.00 75.45 H new ATOM 0 HA ALA A 58 -4.647 0.572 1.577 1.00 63.14 H new ATOM 0 HB1 ALA A 58 -4.112 2.187 3.381 1.00 64.43 H new ATOM 0 HB2 ALA A 58 -2.653 1.698 2.487 1.00 64.43 H new ATOM 0 HB3 ALA A 58 -3.395 3.286 2.179 1.00 64.43 H new ATOM 932 N CYS A 59 -5.930 3.364 0.418 1.00 33.33 N ATOM 933 CA CYS A 59 -7.189 4.059 0.115 1.00 23.33 C ATOM 934 C CYS A 59 -8.076 3.211 -0.817 1.00 13.24 C ATOM 935 O CYS A 59 -9.277 3.052 -0.559 1.00 41.33 O ATOM 936 CB CYS A 59 -6.885 5.423 -0.536 1.00 22.44 C ATOM 937 SG CYS A 59 -8.336 6.324 -1.119 1.00 71.51 S ATOM 0 H CYS A 59 -5.122 3.751 -0.070 1.00 33.33 H new ATOM 0 HA CYS A 59 -7.732 4.216 1.047 1.00 23.33 H new ATOM 0 HB2 CYS A 59 -6.355 6.044 0.186 1.00 22.44 H new ATOM 0 HB3 CYS A 59 -6.210 5.266 -1.377 1.00 22.44 H new ATOM 0 HG CYS A 59 -8.054 7.590 -1.207 1.00 71.51 H new ATOM 943 N TYR A 60 -7.452 2.627 -1.870 1.00 4.41 N ATOM 944 CA TYR A 60 -8.160 1.895 -2.940 1.00 34.51 C ATOM 945 C TYR A 60 -8.882 0.660 -2.394 1.00 52.53 C ATOM 946 O TYR A 60 -9.904 0.271 -2.932 1.00 0.52 O ATOM 947 CB TYR A 60 -7.197 1.476 -4.093 1.00 14.44 C ATOM 948 CG TYR A 60 -6.687 2.616 -4.989 1.00 34.32 C ATOM 949 CD1 TYR A 60 -7.535 3.631 -5.421 1.00 23.43 C ATOM 950 CD2 TYR A 60 -5.360 2.653 -5.426 1.00 24.53 C ATOM 951 CE1 TYR A 60 -7.078 4.638 -6.250 1.00 50.02 C ATOM 952 CE2 TYR A 60 -4.897 3.661 -6.249 1.00 61.25 C ATOM 953 CZ TYR A 60 -5.759 4.653 -6.656 1.00 2.02 C ATOM 954 OH TYR A 60 -5.307 5.661 -7.484 1.00 23.12 O ATOM 0 H TYR A 60 -6.440 2.653 -1.998 1.00 4.41 H new ATOM 0 HA TYR A 60 -8.902 2.583 -3.345 1.00 34.51 H new ATOM 0 HB2 TYR A 60 -6.336 0.971 -3.656 1.00 14.44 H new ATOM 0 HB3 TYR A 60 -7.709 0.747 -4.721 1.00 14.44 H new ATOM 0 HD1 TYR A 60 -8.567 3.632 -5.103 1.00 23.43 H new ATOM 0 HD2 TYR A 60 -4.680 1.875 -5.113 1.00 24.53 H new ATOM 0 HE1 TYR A 60 -7.753 5.413 -6.580 1.00 50.02 H new ATOM 0 HE2 TYR A 60 -3.866 3.670 -6.571 1.00 61.25 H new ATOM 0 HH TYR A 60 -4.355 5.525 -7.675 1.00 23.12 H new ATOM 964 N THR A 61 -8.349 0.048 -1.322 1.00 41.34 N ATOM 965 CA THR A 61 -9.035 -1.061 -0.635 1.00 4.22 C ATOM 966 C THR A 61 -10.414 -0.586 -0.111 1.00 4.02 C ATOM 967 O THR A 61 -11.438 -1.252 -0.331 1.00 74.12 O ATOM 968 CB THR A 61 -8.182 -1.647 0.539 1.00 74.41 C ATOM 969 OG1 THR A 61 -7.892 -0.627 1.504 1.00 11.24 O ATOM 970 CG2 THR A 61 -6.865 -2.263 0.038 1.00 30.33 C ATOM 0 H THR A 61 -7.449 0.301 -0.914 1.00 41.34 H new ATOM 0 HA THR A 61 -9.176 -1.861 -1.362 1.00 4.22 H new ATOM 0 HB THR A 61 -8.774 -2.436 1.003 1.00 74.41 H new ATOM 0 HG1 THR A 61 -7.444 0.124 1.062 1.00 11.24 H new ATOM 0 HG21 THR A 61 -6.303 -2.658 0.884 1.00 30.33 H new ATOM 0 HG22 THR A 61 -7.084 -3.070 -0.661 1.00 30.33 H new ATOM 0 HG23 THR A 61 -6.274 -1.498 -0.465 1.00 30.33 H new ATOM 978 N LYS A 62 -10.430 0.637 0.475 1.00 50.12 N ATOM 979 CA LYS A 62 -11.637 1.230 1.089 1.00 21.43 C ATOM 980 C LYS A 62 -12.669 1.602 0.015 1.00 2.15 C ATOM 981 O LYS A 62 -13.879 1.586 0.262 1.00 13.14 O ATOM 982 CB LYS A 62 -11.258 2.492 1.917 1.00 12.02 C ATOM 983 CG LYS A 62 -10.300 2.219 3.095 1.00 72.00 C ATOM 984 CD LYS A 62 -10.904 1.246 4.134 1.00 75.34 C ATOM 985 CE LYS A 62 -9.981 1.008 5.333 1.00 11.13 C ATOM 986 NZ LYS A 62 -10.528 -0.025 6.249 1.00 42.01 N ATOM 0 H LYS A 62 -9.607 1.236 0.533 1.00 50.12 H new ATOM 0 HA LYS A 62 -12.079 0.487 1.753 1.00 21.43 H new ATOM 0 HB2 LYS A 62 -10.797 3.223 1.252 1.00 12.02 H new ATOM 0 HB3 LYS A 62 -12.171 2.945 2.305 1.00 12.02 H new ATOM 0 HG2 LYS A 62 -9.367 1.804 2.712 1.00 72.00 H new ATOM 0 HG3 LYS A 62 -10.053 3.161 3.584 1.00 72.00 H new ATOM 0 HD2 LYS A 62 -11.855 1.644 4.487 1.00 75.34 H new ATOM 0 HD3 LYS A 62 -11.117 0.293 3.651 1.00 75.34 H new ATOM 0 HE2 LYS A 62 -8.998 0.698 4.980 1.00 11.13 H new ATOM 0 HE3 LYS A 62 -9.844 1.942 5.878 1.00 11.13 H new ATOM 0 HZ1 LYS A 62 -9.877 -0.160 7.049 1.00 42.01 H new ATOM 0 HZ2 LYS A 62 -11.455 0.283 6.605 1.00 42.01 H new ATOM 0 HZ3 LYS A 62 -10.635 -0.923 5.735 1.00 42.01 H new ATOM 1000 N LEU A 63 -12.167 1.936 -1.179 1.00 70.32 N ATOM 1001 CA LEU A 63 -13.000 2.325 -2.323 1.00 52.44 C ATOM 1002 C LEU A 63 -13.355 1.100 -3.189 1.00 13.20 C ATOM 1003 O LEU A 63 -14.020 1.254 -4.223 1.00 25.10 O ATOM 1004 CB LEU A 63 -12.258 3.402 -3.163 1.00 34.10 C ATOM 1005 CG LEU A 63 -11.811 4.680 -2.381 1.00 74.13 C ATOM 1006 CD1 LEU A 63 -11.099 5.685 -3.307 1.00 43.33 C ATOM 1007 CD2 LEU A 63 -12.998 5.336 -1.636 1.00 75.21 C ATOM 0 H LEU A 63 -11.167 1.944 -1.380 1.00 70.32 H new ATOM 0 HA LEU A 63 -13.935 2.746 -1.953 1.00 52.44 H new ATOM 0 HB2 LEU A 63 -11.375 2.944 -3.610 1.00 34.10 H new ATOM 0 HB3 LEU A 63 -12.908 3.708 -3.983 1.00 34.10 H new ATOM 0 HG LEU A 63 -11.091 4.365 -1.626 1.00 74.13 H new ATOM 0 HD11 LEU A 63 -10.801 6.562 -2.732 1.00 43.33 H new ATOM 0 HD12 LEU A 63 -10.215 5.218 -3.740 1.00 43.33 H new ATOM 0 HD13 LEU A 63 -11.777 5.988 -4.105 1.00 43.33 H new ATOM 0 HD21 LEU A 63 -12.649 6.221 -1.104 1.00 75.21 H new ATOM 0 HD22 LEU A 63 -13.765 5.624 -2.355 1.00 75.21 H new ATOM 0 HD23 LEU A 63 -13.417 4.626 -0.923 1.00 75.21 H new ATOM 1019 N LEU A 64 -12.899 -0.120 -2.749 1.00 20.23 N ATOM 1020 CA LEU A 64 -13.098 -1.394 -3.489 1.00 42.04 C ATOM 1021 C LEU A 64 -12.425 -1.342 -4.890 1.00 61.34 C ATOM 1022 O LEU A 64 -12.754 -2.120 -5.788 1.00 23.22 O ATOM 1023 CB LEU A 64 -14.616 -1.783 -3.584 1.00 12.33 C ATOM 1024 CG LEU A 64 -15.334 -2.241 -2.261 1.00 52.22 C ATOM 1025 CD1 LEU A 64 -14.671 -3.492 -1.657 1.00 5.10 C ATOM 1026 CD2 LEU A 64 -15.438 -1.105 -1.217 1.00 73.42 C ATOM 0 H LEU A 64 -12.387 -0.236 -1.875 1.00 20.23 H new ATOM 0 HA LEU A 64 -12.607 -2.183 -2.920 1.00 42.04 H new ATOM 0 HB2 LEU A 64 -15.159 -0.925 -3.981 1.00 12.33 H new ATOM 0 HB3 LEU A 64 -14.712 -2.587 -4.314 1.00 12.33 H new ATOM 0 HG LEU A 64 -16.353 -2.506 -2.543 1.00 52.22 H new ATOM 0 HD11 LEU A 64 -15.195 -3.777 -0.745 1.00 5.10 H new ATOM 0 HD12 LEU A 64 -14.719 -4.311 -2.374 1.00 5.10 H new ATOM 0 HD13 LEU A 64 -13.629 -3.275 -1.424 1.00 5.10 H new ATOM 0 HD21 LEU A 64 -15.942 -1.476 -0.324 1.00 73.42 H new ATOM 0 HD22 LEU A 64 -14.438 -0.761 -0.953 1.00 73.42 H new ATOM 0 HD23 LEU A 64 -16.008 -0.276 -1.637 1.00 73.42 H new ATOM 1038 N GLU A 65 -11.451 -0.430 -5.023 1.00 31.31 N ATOM 1039 CA GLU A 65 -10.657 -0.201 -6.242 1.00 31.21 C ATOM 1040 C GLU A 65 -9.392 -1.091 -6.247 1.00 63.31 C ATOM 1041 O GLU A 65 -8.306 -0.641 -6.637 1.00 54.22 O ATOM 1042 CB GLU A 65 -10.282 1.328 -6.339 1.00 53.23 C ATOM 1043 CG GLU A 65 -10.600 1.986 -7.691 1.00 50.51 C ATOM 1044 CD GLU A 65 -12.076 1.859 -8.098 1.00 23.31 C ATOM 1045 OE1 GLU A 65 -12.898 2.695 -7.664 1.00 40.41 O ATOM 1046 OE2 GLU A 65 -12.420 0.923 -8.858 1.00 21.13 O ATOM 0 H GLU A 65 -11.184 0.191 -4.259 1.00 31.31 H new ATOM 0 HA GLU A 65 -11.248 -0.474 -7.116 1.00 31.21 H new ATOM 0 HB2 GLU A 65 -10.812 1.868 -5.555 1.00 53.23 H new ATOM 0 HB3 GLU A 65 -9.216 1.440 -6.138 1.00 53.23 H new ATOM 0 HG2 GLU A 65 -10.333 3.042 -7.645 1.00 50.51 H new ATOM 0 HG3 GLU A 65 -9.978 1.533 -8.463 1.00 50.51 H new ATOM 1053 N PHE A 66 -9.564 -2.375 -5.870 1.00 73.04 N ATOM 1054 CA PHE A 66 -8.453 -3.327 -5.701 1.00 53.11 C ATOM 1055 C PHE A 66 -7.648 -3.544 -7.004 1.00 33.24 C ATOM 1056 O PHE A 66 -6.469 -3.898 -6.931 1.00 35.02 O ATOM 1057 CB PHE A 66 -8.964 -4.686 -5.167 1.00 40.31 C ATOM 1058 CG PHE A 66 -9.437 -4.683 -3.716 1.00 42.33 C ATOM 1059 CD1 PHE A 66 -10.761 -4.404 -3.384 1.00 71.45 C ATOM 1060 CD2 PHE A 66 -8.555 -4.988 -2.684 1.00 1.00 C ATOM 1061 CE1 PHE A 66 -11.177 -4.427 -2.067 1.00 72.43 C ATOM 1062 CE2 PHE A 66 -8.974 -5.015 -1.371 1.00 65.42 C ATOM 1063 CZ PHE A 66 -10.288 -4.733 -1.062 1.00 2.43 C ATOM 0 H PHE A 66 -10.480 -2.779 -5.675 1.00 73.04 H new ATOM 0 HA PHE A 66 -7.778 -2.882 -4.970 1.00 53.11 H new ATOM 0 HB2 PHE A 66 -9.787 -5.019 -5.799 1.00 40.31 H new ATOM 0 HB3 PHE A 66 -8.166 -5.421 -5.270 1.00 40.31 H new ATOM 0 HD1 PHE A 66 -11.469 -4.167 -4.164 1.00 71.45 H new ATOM 0 HD2 PHE A 66 -7.523 -5.208 -2.916 1.00 1.00 H new ATOM 0 HE1 PHE A 66 -12.205 -4.204 -1.825 1.00 72.43 H new ATOM 0 HE2 PHE A 66 -8.274 -5.257 -0.585 1.00 65.42 H new ATOM 0 HZ PHE A 66 -10.619 -4.752 -0.034 1.00 2.43 H new ATOM 1073 N GLN A 67 -8.286 -3.324 -8.184 1.00 42.51 N ATOM 1074 CA GLN A 67 -7.588 -3.360 -9.492 1.00 30.41 C ATOM 1075 C GLN A 67 -6.447 -2.338 -9.507 1.00 52.24 C ATOM 1076 O GLN A 67 -5.335 -2.631 -9.979 1.00 34.35 O ATOM 1077 CB GLN A 67 -8.558 -3.054 -10.671 1.00 51.13 C ATOM 1078 CG GLN A 67 -9.689 -4.074 -10.878 1.00 61.50 C ATOM 1079 CD GLN A 67 -9.181 -5.491 -11.151 1.00 74.11 C ATOM 1080 OE1 GLN A 67 -8.946 -5.870 -12.298 1.00 52.00 O ATOM 1081 NE2 GLN A 67 -9.011 -6.285 -10.104 1.00 54.22 N ATOM 0 H GLN A 67 -9.283 -3.120 -8.253 1.00 42.51 H new ATOM 0 HA GLN A 67 -7.192 -4.367 -9.622 1.00 30.41 H new ATOM 0 HB2 GLN A 67 -9.003 -2.072 -10.507 1.00 51.13 H new ATOM 0 HB3 GLN A 67 -7.976 -2.991 -11.591 1.00 51.13 H new ATOM 0 HG2 GLN A 67 -10.324 -4.087 -9.992 1.00 61.50 H new ATOM 0 HG3 GLN A 67 -10.312 -3.751 -11.712 1.00 61.50 H new ATOM 0 HE21 GLN A 67 -9.214 -5.942 -9.165 1.00 54.22 H new ATOM 0 HE22 GLN A 67 -8.677 -7.239 -10.237 1.00 54.22 H new ATOM 1090 N LEU A 68 -6.738 -1.135 -8.975 1.00 25.34 N ATOM 1091 CA LEU A 68 -5.755 -0.055 -8.903 1.00 43.20 C ATOM 1092 C LEU A 68 -4.785 -0.326 -7.748 1.00 25.44 C ATOM 1093 O LEU A 68 -3.597 -0.092 -7.895 1.00 41.11 O ATOM 1094 CB LEU A 68 -6.434 1.337 -8.748 1.00 54.41 C ATOM 1095 CG LEU A 68 -7.466 1.746 -9.849 1.00 71.42 C ATOM 1096 CD1 LEU A 68 -7.851 3.237 -9.728 1.00 71.33 C ATOM 1097 CD2 LEU A 68 -6.971 1.398 -11.269 1.00 74.22 C ATOM 0 H LEU A 68 -7.651 -0.894 -8.590 1.00 25.34 H new ATOM 0 HA LEU A 68 -5.200 -0.030 -9.841 1.00 43.20 H new ATOM 0 HB2 LEU A 68 -6.940 1.362 -7.783 1.00 54.41 H new ATOM 0 HB3 LEU A 68 -5.651 2.095 -8.718 1.00 54.41 H new ATOM 0 HG LEU A 68 -8.367 1.157 -9.680 1.00 71.42 H new ATOM 0 HD11 LEU A 68 -8.570 3.492 -10.507 1.00 71.33 H new ATOM 0 HD12 LEU A 68 -8.296 3.420 -8.750 1.00 71.33 H new ATOM 0 HD13 LEU A 68 -6.959 3.853 -9.842 1.00 71.33 H new ATOM 0 HD21 LEU A 68 -7.721 1.701 -12.000 1.00 74.22 H new ATOM 0 HD22 LEU A 68 -6.037 1.924 -11.468 1.00 74.22 H new ATOM 0 HD23 LEU A 68 -6.805 0.323 -11.343 1.00 74.22 H new ATOM 1109 N ALA A 69 -5.311 -0.888 -6.629 1.00 41.42 N ATOM 1110 CA ALA A 69 -4.529 -1.157 -5.401 1.00 33.50 C ATOM 1111 C ALA A 69 -3.340 -2.089 -5.678 1.00 33.30 C ATOM 1112 O ALA A 69 -2.233 -1.833 -5.199 1.00 12.20 O ATOM 1113 CB ALA A 69 -5.421 -1.753 -4.295 1.00 12.12 C ATOM 0 H ALA A 69 -6.290 -1.166 -6.556 1.00 41.42 H new ATOM 0 HA ALA A 69 -4.137 -0.200 -5.057 1.00 33.50 H new ATOM 0 HB1 ALA A 69 -4.821 -1.941 -3.405 1.00 12.12 H new ATOM 0 HB2 ALA A 69 -6.219 -1.051 -4.053 1.00 12.12 H new ATOM 0 HB3 ALA A 69 -5.856 -2.690 -4.643 1.00 12.12 H new ATOM 1119 N LEU A 70 -3.593 -3.163 -6.467 1.00 25.22 N ATOM 1120 CA LEU A 70 -2.559 -4.134 -6.879 1.00 54.22 C ATOM 1121 C LEU A 70 -1.400 -3.424 -7.594 1.00 31.35 C ATOM 1122 O LEU A 70 -0.275 -3.399 -7.084 1.00 42.05 O ATOM 1123 CB LEU A 70 -3.167 -5.230 -7.809 1.00 1.44 C ATOM 1124 CG LEU A 70 -4.217 -6.181 -7.159 1.00 55.10 C ATOM 1125 CD1 LEU A 70 -4.887 -7.079 -8.219 1.00 2.21 C ATOM 1126 CD2 LEU A 70 -3.578 -7.029 -6.035 1.00 23.20 C ATOM 0 H LEU A 70 -4.521 -3.377 -6.833 1.00 25.22 H new ATOM 0 HA LEU A 70 -2.174 -4.614 -5.979 1.00 54.22 H new ATOM 0 HB2 LEU A 70 -3.634 -4.736 -8.661 1.00 1.44 H new ATOM 0 HB3 LEU A 70 -2.351 -5.837 -8.201 1.00 1.44 H new ATOM 0 HG LEU A 70 -4.993 -5.562 -6.710 1.00 55.10 H new ATOM 0 HD11 LEU A 70 -5.614 -7.731 -7.736 1.00 2.21 H new ATOM 0 HD12 LEU A 70 -5.392 -6.456 -8.957 1.00 2.21 H new ATOM 0 HD13 LEU A 70 -4.129 -7.685 -8.714 1.00 2.21 H new ATOM 0 HD21 LEU A 70 -4.333 -7.683 -5.599 1.00 23.20 H new ATOM 0 HD22 LEU A 70 -2.770 -7.632 -6.449 1.00 23.20 H new ATOM 0 HD23 LEU A 70 -3.180 -6.370 -5.264 1.00 23.20 H new ATOM 1138 N LYS A 71 -1.718 -2.798 -8.742 1.00 11.41 N ATOM 1139 CA LYS A 71 -0.716 -2.179 -9.625 1.00 50.02 C ATOM 1140 C LYS A 71 -0.021 -0.969 -8.965 1.00 72.21 C ATOM 1141 O LYS A 71 1.146 -0.710 -9.240 1.00 61.22 O ATOM 1142 CB LYS A 71 -1.363 -1.787 -10.982 1.00 3.32 C ATOM 1143 CG LYS A 71 -2.502 -0.744 -10.907 1.00 11.43 C ATOM 1144 CD LYS A 71 -3.177 -0.440 -12.276 1.00 62.31 C ATOM 1145 CE LYS A 71 -2.273 0.336 -13.269 1.00 34.33 C ATOM 1146 NZ LYS A 71 -1.182 -0.489 -13.869 1.00 52.41 N ATOM 0 H LYS A 71 -2.675 -2.708 -9.082 1.00 11.41 H new ATOM 0 HA LYS A 71 0.062 -2.920 -9.810 1.00 50.02 H new ATOM 0 HB2 LYS A 71 -0.583 -1.399 -11.637 1.00 3.32 H new ATOM 0 HB3 LYS A 71 -1.753 -2.690 -11.452 1.00 3.32 H new ATOM 0 HG2 LYS A 71 -3.261 -1.101 -10.211 1.00 11.43 H new ATOM 0 HG3 LYS A 71 -2.104 0.184 -10.496 1.00 11.43 H new ATOM 0 HD2 LYS A 71 -3.480 -1.380 -12.736 1.00 62.31 H new ATOM 0 HD3 LYS A 71 -4.085 0.137 -12.101 1.00 62.31 H new ATOM 0 HE2 LYS A 71 -2.893 0.738 -14.070 1.00 34.33 H new ATOM 0 HE3 LYS A 71 -1.829 1.186 -12.752 1.00 34.33 H new ATOM 0 HZ1 LYS A 71 -0.293 -0.312 -13.360 1.00 52.41 H new ATOM 0 HZ2 LYS A 71 -1.428 -1.497 -13.795 1.00 52.41 H new ATOM 0 HZ3 LYS A 71 -1.064 -0.234 -14.870 1.00 52.41 H new ATOM 1160 N ASP A 72 -0.748 -0.277 -8.068 1.00 21.41 N ATOM 1161 CA ASP A 72 -0.275 0.950 -7.390 1.00 54.41 C ATOM 1162 C ASP A 72 0.831 0.636 -6.370 1.00 61.41 C ATOM 1163 O ASP A 72 1.834 1.354 -6.293 1.00 42.52 O ATOM 1164 CB ASP A 72 -1.475 1.659 -6.705 1.00 35.42 C ATOM 1165 CG ASP A 72 -1.105 2.889 -5.862 1.00 42.11 C ATOM 1166 OD1 ASP A 72 -0.668 3.908 -6.438 1.00 63.22 O ATOM 1167 OD2 ASP A 72 -1.260 2.836 -4.631 1.00 45.12 O ATOM 0 H ASP A 72 -1.689 -0.554 -7.789 1.00 21.41 H new ATOM 0 HA ASP A 72 0.156 1.617 -8.137 1.00 54.41 H new ATOM 0 HB2 ASP A 72 -2.185 1.964 -7.474 1.00 35.42 H new ATOM 0 HB3 ASP A 72 -1.987 0.939 -6.066 1.00 35.42 H new ATOM 1172 N CYS A 73 0.636 -0.436 -5.585 1.00 21.25 N ATOM 1173 CA CYS A 73 1.625 -0.869 -4.582 1.00 54.41 C ATOM 1174 C CYS A 73 2.753 -1.706 -5.210 1.00 71.23 C ATOM 1175 O CYS A 73 3.897 -1.572 -4.799 1.00 22.13 O ATOM 1176 CB CYS A 73 0.944 -1.639 -3.425 1.00 34.01 C ATOM 1177 SG CYS A 73 0.044 -3.112 -3.928 1.00 44.23 S ATOM 0 H CYS A 73 -0.199 -1.020 -5.625 1.00 21.25 H new ATOM 0 HA CYS A 73 2.080 0.032 -4.171 1.00 54.41 H new ATOM 0 HB2 CYS A 73 1.706 -1.925 -2.700 1.00 34.01 H new ATOM 0 HB3 CYS A 73 0.255 -0.966 -2.915 1.00 34.01 H new ATOM 0 HG CYS A 73 -0.983 -2.769 -4.647 1.00 44.23 H new ATOM 1183 N GLU A 74 2.451 -2.554 -6.221 1.00 45.20 N ATOM 1184 CA GLU A 74 3.477 -3.476 -6.788 1.00 63.12 C ATOM 1185 C GLU A 74 4.458 -2.749 -7.728 1.00 54.24 C ATOM 1186 O GLU A 74 5.553 -3.249 -7.961 1.00 42.22 O ATOM 1187 CB GLU A 74 2.843 -4.696 -7.507 1.00 24.21 C ATOM 1188 CG GLU A 74 2.154 -4.388 -8.842 1.00 63.12 C ATOM 1189 CD GLU A 74 1.512 -5.627 -9.485 1.00 15.21 C ATOM 1190 OE1 GLU A 74 0.342 -5.939 -9.170 1.00 14.11 O ATOM 1191 OE2 GLU A 74 2.179 -6.311 -10.292 1.00 72.30 O ATOM 0 H GLU A 74 1.531 -2.623 -6.655 1.00 45.20 H new ATOM 0 HA GLU A 74 4.043 -3.850 -5.935 1.00 63.12 H new ATOM 0 HB2 GLU A 74 3.622 -5.438 -7.682 1.00 24.21 H new ATOM 0 HB3 GLU A 74 2.113 -5.152 -6.838 1.00 24.21 H new ATOM 0 HG2 GLU A 74 1.388 -3.630 -8.683 1.00 63.12 H new ATOM 0 HG3 GLU A 74 2.884 -3.964 -9.532 1.00 63.12 H new ATOM 1198 N GLU A 75 4.055 -1.579 -8.281 1.00 71.44 N ATOM 1199 CA GLU A 75 4.960 -0.741 -9.109 1.00 1.33 C ATOM 1200 C GLU A 75 6.022 -0.058 -8.221 1.00 64.41 C ATOM 1201 O GLU A 75 7.109 0.311 -8.702 1.00 71.31 O ATOM 1202 CB GLU A 75 4.172 0.328 -9.913 1.00 71.13 C ATOM 1203 CG GLU A 75 3.504 1.425 -9.053 1.00 23.32 C ATOM 1204 CD GLU A 75 2.723 2.457 -9.881 1.00 21.44 C ATOM 1205 OE1 GLU A 75 1.537 2.215 -10.192 1.00 65.20 O ATOM 1206 OE2 GLU A 75 3.304 3.501 -10.247 1.00 24.00 O ATOM 0 H GLU A 75 3.116 -1.195 -8.170 1.00 71.44 H new ATOM 0 HA GLU A 75 5.457 -1.399 -9.822 1.00 1.33 H new ATOM 0 HB2 GLU A 75 4.851 0.804 -10.620 1.00 71.13 H new ATOM 0 HB3 GLU A 75 3.402 -0.173 -10.499 1.00 71.13 H new ATOM 0 HG2 GLU A 75 2.827 0.955 -8.339 1.00 23.32 H new ATOM 0 HG3 GLU A 75 4.271 1.940 -8.474 1.00 23.32 H new ATOM 1213 N CYS A 76 5.685 0.094 -6.916 1.00 45.22 N ATOM 1214 CA CYS A 76 6.570 0.683 -5.901 1.00 65.44 C ATOM 1215 C CYS A 76 7.899 -0.088 -5.784 1.00 22.34 C ATOM 1216 O CYS A 76 8.875 0.473 -5.313 1.00 23.13 O ATOM 1217 CB CYS A 76 5.868 0.745 -4.533 1.00 50.14 C ATOM 1218 SG CYS A 76 4.317 1.671 -4.562 1.00 2.50 S ATOM 0 H CYS A 76 4.780 -0.194 -6.543 1.00 45.22 H new ATOM 0 HA CYS A 76 6.801 1.698 -6.224 1.00 65.44 H new ATOM 0 HB2 CYS A 76 5.670 -0.270 -4.189 1.00 50.14 H new ATOM 0 HB3 CYS A 76 6.542 1.202 -3.808 1.00 50.14 H new ATOM 0 HG CYS A 76 4.393 2.670 -3.734 1.00 2.50 H new ATOM 1224 N ILE A 77 7.911 -1.379 -6.202 1.00 11.41 N ATOM 1225 CA ILE A 77 9.133 -2.228 -6.246 1.00 75.42 C ATOM 1226 C ILE A 77 10.256 -1.557 -7.097 1.00 44.01 C ATOM 1227 O ILE A 77 11.448 -1.742 -6.829 1.00 10.10 O ATOM 1228 CB ILE A 77 8.779 -3.696 -6.786 1.00 3.04 C ATOM 1229 CG1 ILE A 77 9.837 -4.790 -6.360 1.00 64.23 C ATOM 1230 CG2 ILE A 77 8.553 -3.718 -8.325 1.00 34.32 C ATOM 1231 CD1 ILE A 77 11.100 -4.883 -7.203 1.00 54.24 C ATOM 0 H ILE A 77 7.072 -1.864 -6.519 1.00 11.41 H new ATOM 0 HA ILE A 77 9.517 -2.329 -5.231 1.00 75.42 H new ATOM 0 HB ILE A 77 7.838 -3.960 -6.302 1.00 3.04 H new ATOM 0 HG12 ILE A 77 10.130 -4.597 -5.328 1.00 64.23 H new ATOM 0 HG13 ILE A 77 9.346 -5.763 -6.375 1.00 64.23 H new ATOM 0 HG21 ILE A 77 8.316 -4.733 -8.643 1.00 34.32 H new ATOM 0 HG22 ILE A 77 7.726 -3.055 -8.581 1.00 34.32 H new ATOM 0 HG23 ILE A 77 9.458 -3.381 -8.830 1.00 34.32 H new ATOM 0 HD11 ILE A 77 11.743 -5.670 -6.809 1.00 54.24 H new ATOM 0 HD12 ILE A 77 10.833 -5.115 -8.234 1.00 54.24 H new ATOM 0 HD13 ILE A 77 11.630 -3.931 -7.171 1.00 54.24 H new ATOM 1243 N GLN A 78 9.868 -0.756 -8.108 1.00 41.23 N ATOM 1244 CA GLN A 78 10.835 -0.107 -9.022 1.00 33.30 C ATOM 1245 C GLN A 78 11.476 1.137 -8.388 1.00 63.03 C ATOM 1246 O GLN A 78 12.538 1.590 -8.827 1.00 44.15 O ATOM 1247 CB GLN A 78 10.155 0.247 -10.366 1.00 72.51 C ATOM 1248 CG GLN A 78 9.506 -0.957 -11.078 1.00 1.30 C ATOM 1249 CD GLN A 78 10.460 -2.142 -11.309 1.00 23.31 C ATOM 1250 OE1 GLN A 78 11.673 -1.980 -11.453 1.00 13.11 O ATOM 1251 NE2 GLN A 78 9.912 -3.343 -11.374 1.00 4.24 N ATOM 0 H GLN A 78 8.892 -0.541 -8.315 1.00 41.23 H new ATOM 0 HA GLN A 78 11.637 -0.820 -9.214 1.00 33.30 H new ATOM 0 HB2 GLN A 78 9.392 1.004 -10.187 1.00 72.51 H new ATOM 0 HB3 GLN A 78 10.896 0.692 -11.030 1.00 72.51 H new ATOM 0 HG2 GLN A 78 8.656 -1.299 -10.488 1.00 1.30 H new ATOM 0 HG3 GLN A 78 9.114 -0.628 -12.040 1.00 1.30 H new ATOM 0 HE21 GLN A 78 8.905 -3.452 -11.251 1.00 4.24 H new ATOM 0 HE22 GLN A 78 10.496 -4.161 -11.547 1.00 4.24 H new ATOM 1260 N LEU A 79 10.810 1.696 -7.371 1.00 42.43 N ATOM 1261 CA LEU A 79 11.283 2.888 -6.641 1.00 2.33 C ATOM 1262 C LEU A 79 12.038 2.459 -5.370 1.00 65.55 C ATOM 1263 O LEU A 79 13.126 2.946 -5.064 1.00 50.41 O ATOM 1264 CB LEU A 79 10.058 3.774 -6.298 1.00 52.44 C ATOM 1265 CG LEU A 79 9.110 4.097 -7.498 1.00 30.31 C ATOM 1266 CD1 LEU A 79 7.924 4.971 -7.061 1.00 34.22 C ATOM 1267 CD2 LEU A 79 9.882 4.738 -8.669 1.00 73.40 C ATOM 0 H LEU A 79 9.921 1.335 -7.026 1.00 42.43 H new ATOM 0 HA LEU A 79 11.975 3.462 -7.257 1.00 2.33 H new ATOM 0 HB2 LEU A 79 9.477 3.277 -5.521 1.00 52.44 H new ATOM 0 HB3 LEU A 79 10.416 4.713 -5.876 1.00 52.44 H new ATOM 0 HG LEU A 79 8.702 3.151 -7.854 1.00 30.31 H new ATOM 0 HD11 LEU A 79 7.286 5.175 -7.921 1.00 34.22 H new ATOM 0 HD12 LEU A 79 7.348 4.447 -6.298 1.00 34.22 H new ATOM 0 HD13 LEU A 79 8.296 5.911 -6.653 1.00 34.22 H new ATOM 0 HD21 LEU A 79 9.193 4.950 -9.487 1.00 73.40 H new ATOM 0 HD22 LEU A 79 10.345 5.667 -8.335 1.00 73.40 H new ATOM 0 HD23 LEU A 79 10.655 4.051 -9.015 1.00 73.40 H new ATOM 1279 N GLU A 80 11.420 1.525 -4.650 1.00 34.31 N ATOM 1280 CA GLU A 80 11.937 0.913 -3.428 1.00 62.10 C ATOM 1281 C GLU A 80 11.568 -0.583 -3.477 1.00 50.55 C ATOM 1282 O GLU A 80 10.420 -0.934 -3.196 1.00 43.01 O ATOM 1283 CB GLU A 80 11.325 1.621 -2.185 1.00 61.12 C ATOM 1284 CG GLU A 80 11.779 1.093 -0.810 1.00 12.21 C ATOM 1285 CD GLU A 80 11.136 1.878 0.355 1.00 3.23 C ATOM 1286 OE1 GLU A 80 10.008 1.531 0.776 1.00 65.35 O ATOM 1287 OE2 GLU A 80 11.733 2.875 0.824 1.00 31.54 O ATOM 0 H GLU A 80 10.506 1.158 -4.914 1.00 34.31 H new ATOM 0 HA GLU A 80 13.019 1.019 -3.352 1.00 62.10 H new ATOM 0 HB2 GLU A 80 11.567 2.682 -2.241 1.00 61.12 H new ATOM 0 HB3 GLU A 80 10.240 1.538 -2.243 1.00 61.12 H new ATOM 0 HG2 GLU A 80 11.519 0.038 -0.723 1.00 12.21 H new ATOM 0 HG3 GLU A 80 12.864 1.160 -0.737 1.00 12.21 H new ATOM 1294 N PRO A 81 12.518 -1.490 -3.898 1.00 73.24 N ATOM 1295 CA PRO A 81 12.267 -2.964 -3.974 1.00 13.13 C ATOM 1296 C PRO A 81 11.871 -3.572 -2.618 1.00 71.33 C ATOM 1297 O PRO A 81 11.168 -4.580 -2.541 1.00 53.52 O ATOM 1298 CB PRO A 81 13.625 -3.538 -4.472 1.00 31.53 C ATOM 1299 CG PRO A 81 14.333 -2.376 -5.109 1.00 0.32 C ATOM 1300 CD PRO A 81 13.899 -1.155 -4.327 1.00 43.31 C ATOM 0 HA PRO A 81 11.429 -3.200 -4.630 1.00 13.13 H new ATOM 0 HB2 PRO A 81 14.206 -3.948 -3.646 1.00 31.53 H new ATOM 0 HB3 PRO A 81 13.472 -4.346 -5.187 1.00 31.53 H new ATOM 0 HG2 PRO A 81 15.415 -2.505 -5.066 1.00 0.32 H new ATOM 0 HG3 PRO A 81 14.065 -2.283 -6.161 1.00 0.32 H new ATOM 0 HD2 PRO A 81 14.551 -0.973 -3.473 1.00 43.31 H new ATOM 0 HD3 PRO A 81 13.921 -0.256 -4.942 1.00 43.31 H new ATOM 1308 N THR A 82 12.310 -2.885 -1.570 1.00 71.15 N ATOM 1309 CA THR A 82 12.230 -3.317 -0.184 1.00 74.30 C ATOM 1310 C THR A 82 10.999 -2.717 0.530 1.00 42.01 C ATOM 1311 O THR A 82 10.964 -2.678 1.769 1.00 63.32 O ATOM 1312 CB THR A 82 13.555 -2.876 0.519 1.00 21.21 C ATOM 1313 OG1 THR A 82 13.672 -1.443 0.473 1.00 31.21 O ATOM 1314 CG2 THR A 82 14.795 -3.488 -0.166 1.00 63.12 C ATOM 0 H THR A 82 12.751 -1.971 -1.670 1.00 71.15 H new ATOM 0 HA THR A 82 12.112 -4.400 -0.138 1.00 74.30 H new ATOM 0 HB THR A 82 13.513 -3.229 1.549 1.00 21.21 H new ATOM 0 HG1 THR A 82 14.502 -1.168 0.916 1.00 31.21 H new ATOM 0 HG21 THR A 82 15.696 -3.158 0.351 1.00 63.12 H new ATOM 0 HG22 THR A 82 14.732 -4.576 -0.128 1.00 63.12 H new ATOM 0 HG23 THR A 82 14.834 -3.163 -1.206 1.00 63.12 H new ATOM 1322 N PHE A 83 9.999 -2.243 -0.260 1.00 70.22 N ATOM 1323 CA PHE A 83 8.813 -1.538 0.270 1.00 54.44 C ATOM 1324 C PHE A 83 7.976 -2.466 1.199 1.00 13.45 C ATOM 1325 O PHE A 83 7.298 -3.388 0.753 1.00 64.40 O ATOM 1326 CB PHE A 83 7.961 -0.922 -0.888 1.00 55.24 C ATOM 1327 CG PHE A 83 7.222 -1.928 -1.785 1.00 2.32 C ATOM 1328 CD1 PHE A 83 7.897 -2.700 -2.729 1.00 11.30 C ATOM 1329 CD2 PHE A 83 5.845 -2.101 -1.669 1.00 71.24 C ATOM 1330 CE1 PHE A 83 7.217 -3.604 -3.523 1.00 22.41 C ATOM 1331 CE2 PHE A 83 5.169 -3.005 -2.460 1.00 34.31 C ATOM 1332 CZ PHE A 83 5.857 -3.756 -3.390 1.00 32.03 C ATOM 0 H PHE A 83 9.997 -2.341 -1.275 1.00 70.22 H new ATOM 0 HA PHE A 83 9.156 -0.706 0.885 1.00 54.44 H new ATOM 0 HB2 PHE A 83 7.226 -0.245 -0.452 1.00 55.24 H new ATOM 0 HB3 PHE A 83 8.618 -0.319 -1.515 1.00 55.24 H new ATOM 0 HD1 PHE A 83 8.966 -2.590 -2.841 1.00 11.30 H new ATOM 0 HD2 PHE A 83 5.297 -1.516 -0.946 1.00 71.24 H new ATOM 0 HE1 PHE A 83 7.756 -4.193 -4.250 1.00 22.41 H new ATOM 0 HE2 PHE A 83 4.101 -3.125 -2.352 1.00 34.31 H new ATOM 0 HZ PHE A 83 5.328 -4.462 -4.013 1.00 32.03 H new ATOM 1342 N ILE A 84 8.061 -2.204 2.507 1.00 73.54 N ATOM 1343 CA ILE A 84 7.497 -3.076 3.557 1.00 11.01 C ATOM 1344 C ILE A 84 5.998 -2.806 3.750 1.00 2.35 C ATOM 1345 O ILE A 84 5.194 -3.743 3.841 1.00 45.52 O ATOM 1346 CB ILE A 84 8.263 -2.853 4.915 1.00 51.02 C ATOM 1347 CG1 ILE A 84 9.777 -3.194 4.741 1.00 43.10 C ATOM 1348 CG2 ILE A 84 7.628 -3.656 6.076 1.00 14.55 C ATOM 1349 CD1 ILE A 84 10.656 -2.846 5.929 1.00 30.11 C ATOM 0 H ILE A 84 8.526 -1.375 2.876 1.00 73.54 H new ATOM 0 HA ILE A 84 7.620 -4.112 3.241 1.00 11.01 H new ATOM 0 HB ILE A 84 8.176 -1.800 5.183 1.00 51.02 H new ATOM 0 HG12 ILE A 84 9.872 -4.261 4.538 1.00 43.10 H new ATOM 0 HG13 ILE A 84 10.154 -2.668 3.864 1.00 43.10 H new ATOM 0 HG21 ILE A 84 8.187 -3.473 6.993 1.00 14.55 H new ATOM 0 HG22 ILE A 84 6.593 -3.341 6.213 1.00 14.55 H new ATOM 0 HG23 ILE A 84 7.655 -4.720 5.840 1.00 14.55 H new ATOM 0 HD11 ILE A 84 11.688 -3.121 5.711 1.00 30.11 H new ATOM 0 HD12 ILE A 84 10.599 -1.775 6.123 1.00 30.11 H new ATOM 0 HD13 ILE A 84 10.313 -3.392 6.808 1.00 30.11 H new ATOM 1361 N LYS A 85 5.638 -1.510 3.799 1.00 50.12 N ATOM 1362 CA LYS A 85 4.262 -1.068 4.106 1.00 74.01 C ATOM 1363 C LYS A 85 3.295 -1.435 2.970 1.00 20.45 C ATOM 1364 O LYS A 85 2.109 -1.718 3.204 1.00 53.40 O ATOM 1365 CB LYS A 85 4.229 0.463 4.383 1.00 23.24 C ATOM 1366 CG LYS A 85 5.293 0.970 5.394 1.00 54.32 C ATOM 1367 CD LYS A 85 5.338 0.167 6.717 1.00 25.01 C ATOM 1368 CE LYS A 85 4.011 0.176 7.494 1.00 5.52 C ATOM 1369 NZ LYS A 85 4.128 -0.551 8.783 1.00 62.42 N ATOM 0 H LYS A 85 6.288 -0.742 3.628 1.00 50.12 H new ATOM 0 HA LYS A 85 3.934 -1.589 5.005 1.00 74.01 H new ATOM 0 HB2 LYS A 85 4.366 0.991 3.439 1.00 23.24 H new ATOM 0 HB3 LYS A 85 3.240 0.728 4.756 1.00 23.24 H new ATOM 0 HG2 LYS A 85 6.275 0.930 4.923 1.00 54.32 H new ATOM 0 HG3 LYS A 85 5.092 2.017 5.623 1.00 54.32 H new ATOM 0 HD2 LYS A 85 5.612 -0.865 6.496 1.00 25.01 H new ATOM 0 HD3 LYS A 85 6.123 0.576 7.353 1.00 25.01 H new ATOM 0 HE2 LYS A 85 3.706 1.205 7.682 1.00 5.52 H new ATOM 0 HE3 LYS A 85 3.230 -0.282 6.887 1.00 5.52 H new ATOM 0 HZ1 LYS A 85 3.212 -0.981 9.023 1.00 62.42 H new ATOM 0 HZ2 LYS A 85 4.849 -1.296 8.697 1.00 62.42 H new ATOM 0 HZ3 LYS A 85 4.405 0.114 9.533 1.00 62.42 H new ATOM 1383 N GLY A 86 3.834 -1.436 1.742 1.00 52.41 N ATOM 1384 CA GLY A 86 3.077 -1.799 0.561 1.00 34.03 C ATOM 1385 C GLY A 86 2.762 -3.281 0.488 1.00 5.42 C ATOM 1386 O GLY A 86 1.782 -3.658 -0.149 1.00 44.42 O ATOM 0 H GLY A 86 4.804 -1.184 1.552 1.00 52.41 H new ATOM 0 HA2 GLY A 86 2.145 -1.234 0.547 1.00 34.03 H new ATOM 0 HA3 GLY A 86 3.639 -1.509 -0.327 1.00 34.03 H new ATOM 1390 N TYR A 87 3.602 -4.123 1.140 1.00 4.35 N ATOM 1391 CA TYR A 87 3.391 -5.586 1.195 1.00 30.20 C ATOM 1392 C TYR A 87 2.117 -5.937 1.969 1.00 11.55 C ATOM 1393 O TYR A 87 1.398 -6.869 1.590 1.00 35.12 O ATOM 1394 CB TYR A 87 4.608 -6.318 1.828 1.00 43.12 C ATOM 1395 CG TYR A 87 5.877 -6.335 0.969 1.00 63.32 C ATOM 1396 CD1 TYR A 87 5.813 -6.281 -0.430 1.00 23.11 C ATOM 1397 CD2 TYR A 87 7.140 -6.419 1.555 1.00 24.22 C ATOM 1398 CE1 TYR A 87 6.952 -6.303 -1.195 1.00 21.25 C ATOM 1399 CE2 TYR A 87 8.283 -6.438 0.781 1.00 23.53 C ATOM 1400 CZ TYR A 87 8.180 -6.379 -0.589 1.00 41.12 C ATOM 1401 OH TYR A 87 9.310 -6.380 -1.365 1.00 11.42 O ATOM 0 H TYR A 87 4.436 -3.808 1.637 1.00 4.35 H new ATOM 0 HA TYR A 87 3.281 -5.926 0.165 1.00 30.20 H new ATOM 0 HB2 TYR A 87 4.840 -5.845 2.782 1.00 43.12 H new ATOM 0 HB3 TYR A 87 4.321 -7.347 2.044 1.00 43.12 H new ATOM 0 HD1 TYR A 87 4.850 -6.221 -0.915 1.00 23.11 H new ATOM 0 HD2 TYR A 87 7.225 -6.470 2.630 1.00 24.22 H new ATOM 0 HE1 TYR A 87 6.882 -6.261 -2.272 1.00 21.25 H new ATOM 0 HE2 TYR A 87 9.254 -6.499 1.250 1.00 23.53 H new ATOM 0 HH TYR A 87 9.613 -5.458 -1.503 1.00 11.42 H new ATOM 1411 N THR A 88 1.860 -5.190 3.055 1.00 54.15 N ATOM 1412 CA THR A 88 0.674 -5.387 3.894 1.00 64.11 C ATOM 1413 C THR A 88 -0.624 -5.157 3.070 1.00 40.13 C ATOM 1414 O THR A 88 -1.605 -5.879 3.226 1.00 13.10 O ATOM 1415 CB THR A 88 0.709 -4.430 5.137 1.00 74.24 C ATOM 1416 OG1 THR A 88 2.005 -4.495 5.767 1.00 44.21 O ATOM 1417 CG2 THR A 88 -0.373 -4.795 6.170 1.00 53.03 C ATOM 0 H THR A 88 2.469 -4.436 3.373 1.00 54.15 H new ATOM 0 HA THR A 88 0.678 -6.417 4.252 1.00 64.11 H new ATOM 0 HB THR A 88 0.512 -3.419 4.780 1.00 74.24 H new ATOM 0 HG1 THR A 88 2.023 -3.895 6.542 1.00 44.21 H new ATOM 0 HG21 THR A 88 -0.315 -4.109 7.015 1.00 53.03 H new ATOM 0 HG22 THR A 88 -1.357 -4.720 5.708 1.00 53.03 H new ATOM 0 HG23 THR A 88 -0.213 -5.815 6.519 1.00 53.03 H new ATOM 1425 N ARG A 89 -0.597 -4.136 2.181 1.00 12.40 N ATOM 1426 CA ARG A 89 -1.764 -3.738 1.351 1.00 13.51 C ATOM 1427 C ARG A 89 -1.880 -4.580 0.070 1.00 70.34 C ATOM 1428 O ARG A 89 -2.994 -4.847 -0.401 1.00 51.20 O ATOM 1429 CB ARG A 89 -1.686 -2.221 1.023 1.00 13.15 C ATOM 1430 CG ARG A 89 -1.604 -1.298 2.267 1.00 4.52 C ATOM 1431 CD ARG A 89 -2.836 -1.382 3.197 1.00 53.13 C ATOM 1432 NE ARG A 89 -2.953 -2.676 3.908 1.00 51.01 N ATOM 1433 CZ ARG A 89 -4.035 -3.110 4.560 1.00 61.51 C ATOM 1434 NH1 ARG A 89 -5.132 -2.362 4.644 1.00 61.01 N ATOM 1435 NH2 ARG A 89 -4.034 -4.311 5.115 1.00 1.32 N ATOM 0 H ARG A 89 0.232 -3.565 2.018 1.00 12.40 H new ATOM 0 HA ARG A 89 -2.668 -3.929 1.929 1.00 13.51 H new ATOM 0 HB2 ARG A 89 -0.813 -2.042 0.395 1.00 13.15 H new ATOM 0 HB3 ARG A 89 -2.562 -1.943 0.437 1.00 13.15 H new ATOM 0 HG2 ARG A 89 -0.712 -1.555 2.839 1.00 4.52 H new ATOM 0 HG3 ARG A 89 -1.483 -0.267 1.934 1.00 4.52 H new ATOM 0 HD2 ARG A 89 -2.783 -0.577 3.930 1.00 53.13 H new ATOM 0 HD3 ARG A 89 -3.738 -1.218 2.608 1.00 53.13 H new ATOM 0 HE ARG A 89 -2.137 -3.288 3.899 1.00 51.01 H new ATOM 0 HH11 ARG A 89 -5.156 -1.441 4.206 1.00 61.01 H new ATOM 0 HH12 ARG A 89 -5.949 -2.710 5.146 1.00 61.01 H new ATOM 0 HH21 ARG A 89 -3.207 -4.905 5.045 1.00 1.32 H new ATOM 0 HH22 ARG A 89 -4.860 -4.643 5.613 1.00 1.32 H new ATOM 1449 N LYS A 90 -0.723 -4.995 -0.471 1.00 34.01 N ATOM 1450 CA LYS A 90 -0.645 -5.829 -1.681 1.00 23.20 C ATOM 1451 C LYS A 90 -1.240 -7.207 -1.398 1.00 50.24 C ATOM 1452 O LYS A 90 -2.075 -7.702 -2.151 1.00 70.12 O ATOM 1453 CB LYS A 90 0.837 -5.971 -2.145 1.00 62.31 C ATOM 1454 CG LYS A 90 1.056 -6.835 -3.411 1.00 4.22 C ATOM 1455 CD LYS A 90 0.285 -6.312 -4.644 1.00 12.43 C ATOM 1456 CE LYS A 90 0.620 -7.084 -5.927 1.00 35.13 C ATOM 1457 NZ LYS A 90 0.307 -8.535 -5.835 1.00 32.01 N ATOM 0 H LYS A 90 0.189 -4.760 -0.079 1.00 34.01 H new ATOM 0 HA LYS A 90 -1.215 -5.350 -2.478 1.00 23.20 H new ATOM 0 HB2 LYS A 90 1.239 -4.975 -2.331 1.00 62.31 H new ATOM 0 HB3 LYS A 90 1.416 -6.401 -1.328 1.00 62.31 H new ATOM 0 HG2 LYS A 90 2.121 -6.866 -3.642 1.00 4.22 H new ATOM 0 HG3 LYS A 90 0.745 -7.859 -3.203 1.00 4.22 H new ATOM 0 HD2 LYS A 90 -0.786 -6.381 -4.453 1.00 12.43 H new ATOM 0 HD3 LYS A 90 0.515 -5.257 -4.790 1.00 12.43 H new ATOM 0 HE2 LYS A 90 0.065 -6.651 -6.759 1.00 35.13 H new ATOM 0 HE3 LYS A 90 1.679 -6.961 -6.152 1.00 35.13 H new ATOM 0 HZ1 LYS A 90 -0.069 -8.867 -6.746 1.00 32.01 H new ATOM 0 HZ2 LYS A 90 1.173 -9.063 -5.604 1.00 32.01 H new ATOM 0 HZ3 LYS A 90 -0.402 -8.691 -5.090 1.00 32.01 H new ATOM 1471 N ALA A 91 -0.798 -7.795 -0.281 1.00 52.31 N ATOM 1472 CA ALA A 91 -1.220 -9.122 0.152 1.00 75.10 C ATOM 1473 C ALA A 91 -2.680 -9.117 0.636 1.00 71.24 C ATOM 1474 O ALA A 91 -3.397 -10.104 0.447 1.00 11.51 O ATOM 1475 CB ALA A 91 -0.271 -9.620 1.236 1.00 23.01 C ATOM 0 H ALA A 91 -0.130 -7.354 0.351 1.00 52.31 H new ATOM 0 HA ALA A 91 -1.177 -9.805 -0.697 1.00 75.10 H new ATOM 0 HB1 ALA A 91 -0.582 -10.612 1.564 1.00 23.01 H new ATOM 0 HB2 ALA A 91 0.742 -9.670 0.837 1.00 23.01 H new ATOM 0 HB3 ALA A 91 -0.294 -8.934 2.083 1.00 23.01 H new ATOM 1481 N ALA A 92 -3.109 -7.991 1.255 1.00 14.10 N ATOM 1482 CA ALA A 92 -4.521 -7.774 1.637 1.00 43.10 C ATOM 1483 C ALA A 92 -5.426 -7.798 0.397 1.00 55.25 C ATOM 1484 O ALA A 92 -6.507 -8.398 0.411 1.00 10.32 O ATOM 1485 CB ALA A 92 -4.686 -6.443 2.392 1.00 14.43 C ATOM 0 H ALA A 92 -2.492 -7.217 1.500 1.00 14.10 H new ATOM 0 HA ALA A 92 -4.819 -8.585 2.301 1.00 43.10 H new ATOM 0 HB1 ALA A 92 -5.733 -6.305 2.662 1.00 14.43 H new ATOM 0 HB2 ALA A 92 -4.077 -6.459 3.296 1.00 14.43 H new ATOM 0 HB3 ALA A 92 -4.365 -5.620 1.753 1.00 14.43 H new ATOM 1491 N ALA A 93 -4.953 -7.148 -0.677 1.00 14.42 N ATOM 1492 CA ALA A 93 -5.656 -7.107 -1.958 1.00 34.20 C ATOM 1493 C ALA A 93 -5.719 -8.511 -2.589 1.00 53.13 C ATOM 1494 O ALA A 93 -6.790 -8.955 -3.019 1.00 51.00 O ATOM 1495 CB ALA A 93 -4.979 -6.094 -2.891 1.00 50.13 C ATOM 0 H ALA A 93 -4.070 -6.637 -0.677 1.00 14.42 H new ATOM 0 HA ALA A 93 -6.683 -6.781 -1.793 1.00 34.20 H new ATOM 0 HB1 ALA A 93 -5.507 -6.068 -3.844 1.00 50.13 H new ATOM 0 HB2 ALA A 93 -5.005 -5.105 -2.434 1.00 50.13 H new ATOM 0 HB3 ALA A 93 -3.943 -6.389 -3.058 1.00 50.13 H new ATOM 1501 N LEU A 94 -4.563 -9.217 -2.573 1.00 15.21 N ATOM 1502 CA LEU A 94 -4.437 -10.604 -3.078 1.00 44.32 C ATOM 1503 C LEU A 94 -5.406 -11.549 -2.363 1.00 34.15 C ATOM 1504 O LEU A 94 -5.998 -12.428 -2.996 1.00 4.22 O ATOM 1505 CB LEU A 94 -2.983 -11.128 -2.918 1.00 32.41 C ATOM 1506 CG LEU A 94 -1.916 -10.444 -3.815 1.00 21.52 C ATOM 1507 CD1 LEU A 94 -0.494 -10.944 -3.489 1.00 52.42 C ATOM 1508 CD2 LEU A 94 -2.256 -10.629 -5.310 1.00 71.11 C ATOM 0 H LEU A 94 -3.689 -8.838 -2.208 1.00 15.21 H new ATOM 0 HA LEU A 94 -4.690 -10.583 -4.138 1.00 44.32 H new ATOM 0 HB2 LEU A 94 -2.686 -11.007 -1.876 1.00 32.41 H new ATOM 0 HB3 LEU A 94 -2.977 -12.197 -3.129 1.00 32.41 H new ATOM 0 HG LEU A 94 -1.934 -9.376 -3.599 1.00 21.52 H new ATOM 0 HD11 LEU A 94 0.225 -10.443 -4.137 1.00 52.42 H new ATOM 0 HD12 LEU A 94 -0.260 -10.723 -2.448 1.00 52.42 H new ATOM 0 HD13 LEU A 94 -0.441 -12.020 -3.652 1.00 52.42 H new ATOM 0 HD21 LEU A 94 -1.495 -10.142 -5.919 1.00 71.11 H new ATOM 0 HD22 LEU A 94 -2.285 -11.692 -5.548 1.00 71.11 H new ATOM 0 HD23 LEU A 94 -3.229 -10.184 -5.520 1.00 71.11 H new ATOM 1520 N GLU A 95 -5.579 -11.334 -1.048 1.00 31.11 N ATOM 1521 CA GLU A 95 -6.525 -12.103 -0.230 1.00 52.45 C ATOM 1522 C GLU A 95 -7.957 -11.966 -0.804 1.00 52.32 C ATOM 1523 O GLU A 95 -8.699 -12.950 -0.881 1.00 70.31 O ATOM 1524 CB GLU A 95 -6.480 -11.623 1.243 1.00 64.15 C ATOM 1525 CG GLU A 95 -7.308 -12.487 2.220 1.00 41.35 C ATOM 1526 CD GLU A 95 -7.422 -11.886 3.627 1.00 35.54 C ATOM 1527 OE1 GLU A 95 -6.401 -11.822 4.341 1.00 63.43 O ATOM 1528 OE2 GLU A 95 -8.538 -11.467 4.018 1.00 74.34 O ATOM 0 H GLU A 95 -5.067 -10.623 -0.525 1.00 31.11 H new ATOM 0 HA GLU A 95 -6.239 -13.154 -0.256 1.00 52.45 H new ATOM 0 HB2 GLU A 95 -5.443 -11.611 1.577 1.00 64.15 H new ATOM 0 HB3 GLU A 95 -6.842 -10.596 1.289 1.00 64.15 H new ATOM 0 HG2 GLU A 95 -8.309 -12.625 1.811 1.00 41.35 H new ATOM 0 HG3 GLU A 95 -6.854 -13.475 2.292 1.00 41.35 H new ATOM 1535 N ALA A 96 -8.304 -10.751 -1.299 1.00 43.03 N ATOM 1536 CA ALA A 96 -9.642 -10.469 -1.867 1.00 21.41 C ATOM 1537 C ALA A 96 -9.761 -11.048 -3.294 1.00 42.43 C ATOM 1538 O ALA A 96 -10.868 -11.175 -3.832 1.00 74.21 O ATOM 1539 CB ALA A 96 -9.910 -8.951 -1.869 1.00 25.31 C ATOM 0 H ALA A 96 -7.672 -9.951 -1.315 1.00 43.03 H new ATOM 0 HA ALA A 96 -10.394 -10.952 -1.243 1.00 21.41 H new ATOM 0 HB1 ALA A 96 -10.897 -8.756 -2.289 1.00 25.31 H new ATOM 0 HB2 ALA A 96 -9.869 -8.573 -0.847 1.00 25.31 H new ATOM 0 HB3 ALA A 96 -9.154 -8.449 -2.472 1.00 25.31 H new ATOM 1545 N MET A 97 -8.601 -11.414 -3.888 1.00 53.43 N ATOM 1546 CA MET A 97 -8.523 -12.005 -5.239 1.00 5.32 C ATOM 1547 C MET A 97 -8.454 -13.544 -5.155 1.00 21.33 C ATOM 1548 O MET A 97 -8.219 -14.203 -6.171 1.00 14.34 O ATOM 1549 CB MET A 97 -7.271 -11.454 -5.973 1.00 21.41 C ATOM 1550 CG MET A 97 -7.277 -9.942 -6.183 1.00 20.35 C ATOM 1551 SD MET A 97 -8.684 -9.402 -7.177 1.00 54.24 S ATOM 1552 CE MET A 97 -8.520 -7.629 -7.061 1.00 72.43 C ATOM 0 H MET A 97 -7.691 -11.306 -3.440 1.00 53.43 H new ATOM 0 HA MET A 97 -9.419 -11.733 -5.796 1.00 5.32 H new ATOM 0 HB2 MET A 97 -6.382 -11.726 -5.404 1.00 21.41 H new ATOM 0 HB3 MET A 97 -7.190 -11.943 -6.944 1.00 21.41 H new ATOM 0 HG2 MET A 97 -7.304 -9.442 -5.215 1.00 20.35 H new ATOM 0 HG3 MET A 97 -6.351 -9.640 -6.672 1.00 20.35 H new ATOM 0 HE1 MET A 97 -9.503 -7.166 -7.146 1.00 72.43 H new ATOM 0 HE2 MET A 97 -8.077 -7.367 -6.100 1.00 72.43 H new ATOM 0 HE3 MET A 97 -7.879 -7.269 -7.866 1.00 72.43 H new ATOM 1562 N LYS A 98 -8.652 -14.094 -3.925 1.00 13.41 N ATOM 1563 CA LYS A 98 -8.593 -15.551 -3.618 1.00 23.32 C ATOM 1564 C LYS A 98 -7.146 -16.097 -3.687 1.00 12.44 C ATOM 1565 O LYS A 98 -6.931 -17.309 -3.567 1.00 21.15 O ATOM 1566 CB LYS A 98 -9.533 -16.389 -4.547 1.00 2.51 C ATOM 1567 CG LYS A 98 -11.022 -15.963 -4.553 1.00 64.34 C ATOM 1568 CD LYS A 98 -11.724 -16.157 -3.192 1.00 44.34 C ATOM 1569 CE LYS A 98 -11.679 -17.617 -2.708 1.00 41.53 C ATOM 1570 NZ LYS A 98 -12.486 -17.817 -1.484 1.00 24.34 N ATOM 0 H LYS A 98 -8.861 -13.526 -3.104 1.00 13.41 H new ATOM 0 HA LYS A 98 -8.950 -15.660 -2.594 1.00 23.32 H new ATOM 0 HB2 LYS A 98 -9.153 -16.330 -5.567 1.00 2.51 H new ATOM 0 HB3 LYS A 98 -9.474 -17.435 -4.245 1.00 2.51 H new ATOM 0 HG2 LYS A 98 -11.090 -14.914 -4.842 1.00 64.34 H new ATOM 0 HG3 LYS A 98 -11.553 -16.538 -5.312 1.00 64.34 H new ATOM 0 HD2 LYS A 98 -11.250 -15.516 -2.448 1.00 44.34 H new ATOM 0 HD3 LYS A 98 -12.763 -15.837 -3.274 1.00 44.34 H new ATOM 0 HE2 LYS A 98 -12.047 -18.273 -3.497 1.00 41.53 H new ATOM 0 HE3 LYS A 98 -10.646 -17.903 -2.512 1.00 41.53 H new ATOM 0 HZ1 LYS A 98 -12.541 -18.833 -1.267 1.00 24.34 H new ATOM 0 HZ2 LYS A 98 -12.040 -17.317 -0.689 1.00 24.34 H new ATOM 0 HZ3 LYS A 98 -13.444 -17.443 -1.635 1.00 24.34 H new ATOM 1584 N ASP A 99 -6.167 -15.189 -3.822 1.00 33.05 N ATOM 1585 CA ASP A 99 -4.737 -15.525 -3.998 1.00 60.10 C ATOM 1586 C ASP A 99 -4.011 -15.616 -2.644 1.00 12.31 C ATOM 1587 O ASP A 99 -2.893 -15.112 -2.498 1.00 22.14 O ATOM 1588 CB ASP A 99 -4.073 -14.463 -4.927 1.00 43.12 C ATOM 1589 CG ASP A 99 -4.394 -14.678 -6.409 1.00 13.31 C ATOM 1590 OD1 ASP A 99 -3.650 -15.417 -7.090 1.00 21.04 O ATOM 1591 OD2 ASP A 99 -5.384 -14.115 -6.899 1.00 75.52 O ATOM 0 H ASP A 99 -6.344 -14.185 -3.812 1.00 33.05 H new ATOM 0 HA ASP A 99 -4.657 -16.507 -4.464 1.00 60.10 H new ATOM 0 HB2 ASP A 99 -4.407 -13.469 -4.629 1.00 43.12 H new ATOM 0 HB3 ASP A 99 -2.992 -14.491 -4.787 1.00 43.12 H new ATOM 1596 N TYR A 100 -4.646 -16.315 -1.684 1.00 13.33 N ATOM 1597 CA TYR A 100 -4.116 -16.539 -0.315 1.00 55.32 C ATOM 1598 C TYR A 100 -2.691 -17.111 -0.335 1.00 60.45 C ATOM 1599 O TYR A 100 -1.848 -16.747 0.492 1.00 42.50 O ATOM 1600 CB TYR A 100 -5.041 -17.518 0.456 1.00 53.33 C ATOM 1601 CG TYR A 100 -6.528 -17.164 0.363 1.00 4.44 C ATOM 1602 CD1 TYR A 100 -6.982 -15.897 0.710 1.00 40.43 C ATOM 1603 CD2 TYR A 100 -7.471 -18.086 -0.096 1.00 44.23 C ATOM 1604 CE1 TYR A 100 -8.313 -15.570 0.614 1.00 31.21 C ATOM 1605 CE2 TYR A 100 -8.804 -17.756 -0.192 1.00 75.45 C ATOM 1606 CZ TYR A 100 -9.217 -16.496 0.161 1.00 55.34 C ATOM 1607 OH TYR A 100 -10.547 -16.165 0.091 1.00 4.12 O ATOM 0 H TYR A 100 -5.557 -16.749 -1.835 1.00 13.33 H new ATOM 0 HA TYR A 100 -4.088 -15.570 0.183 1.00 55.32 H new ATOM 0 HB2 TYR A 100 -4.892 -18.526 0.068 1.00 53.33 H new ATOM 0 HB3 TYR A 100 -4.745 -17.533 1.505 1.00 53.33 H new ATOM 0 HD1 TYR A 100 -6.277 -15.158 1.061 1.00 40.43 H new ATOM 0 HD2 TYR A 100 -7.148 -19.077 -0.381 1.00 44.23 H new ATOM 0 HE1 TYR A 100 -8.648 -14.583 0.896 1.00 31.21 H new ATOM 0 HE2 TYR A 100 -9.520 -18.484 -0.543 1.00 75.45 H new ATOM 0 HH TYR A 100 -10.636 -15.203 -0.076 1.00 4.12 H new ATOM 1617 N THR A 101 -2.452 -18.005 -1.310 1.00 30.25 N ATOM 1618 CA THR A 101 -1.163 -18.668 -1.516 1.00 22.31 C ATOM 1619 C THR A 101 -0.054 -17.652 -1.857 1.00 41.12 C ATOM 1620 O THR A 101 1.091 -17.823 -1.441 1.00 63.53 O ATOM 1621 CB THR A 101 -1.286 -19.721 -2.658 1.00 24.41 C ATOM 1622 OG1 THR A 101 -1.820 -19.086 -3.834 1.00 12.32 O ATOM 1623 CG2 THR A 101 -2.192 -20.905 -2.263 1.00 32.34 C ATOM 0 H THR A 101 -3.163 -18.288 -1.984 1.00 30.25 H new ATOM 0 HA THR A 101 -0.888 -19.166 -0.586 1.00 22.31 H new ATOM 0 HB THR A 101 -0.289 -20.117 -2.853 1.00 24.41 H new ATOM 0 HG1 THR A 101 -1.897 -19.745 -4.555 1.00 12.32 H new ATOM 0 HG21 THR A 101 -2.247 -21.613 -3.090 1.00 32.34 H new ATOM 0 HG22 THR A 101 -1.778 -21.403 -1.386 1.00 32.34 H new ATOM 0 HG23 THR A 101 -3.192 -20.537 -2.033 1.00 32.34 H new ATOM 1631 N LYS A 102 -0.415 -16.592 -2.611 1.00 23.54 N ATOM 1632 CA LYS A 102 0.536 -15.525 -3.000 1.00 21.12 C ATOM 1633 C LYS A 102 0.732 -14.568 -1.825 1.00 55.11 C ATOM 1634 O LYS A 102 1.860 -14.206 -1.477 1.00 42.13 O ATOM 1635 CB LYS A 102 0.015 -14.724 -4.233 1.00 75.34 C ATOM 1636 CG LYS A 102 -0.700 -15.578 -5.286 1.00 15.24 C ATOM 1637 CD LYS A 102 0.150 -16.733 -5.839 1.00 71.24 C ATOM 1638 CE LYS A 102 -0.682 -17.666 -6.729 1.00 52.11 C ATOM 1639 NZ LYS A 102 -1.260 -16.959 -7.905 1.00 0.52 N ATOM 0 H LYS A 102 -1.361 -16.451 -2.964 1.00 23.54 H new ATOM 0 HA LYS A 102 1.483 -15.993 -3.269 1.00 21.12 H new ATOM 0 HB2 LYS A 102 -0.669 -13.950 -3.885 1.00 75.34 H new ATOM 0 HB3 LYS A 102 0.857 -14.217 -4.704 1.00 75.34 H new ATOM 0 HG2 LYS A 102 -1.610 -15.988 -4.849 1.00 15.24 H new ATOM 0 HG3 LYS A 102 -1.004 -14.937 -6.113 1.00 15.24 H new ATOM 0 HD2 LYS A 102 0.985 -16.330 -6.412 1.00 71.24 H new ATOM 0 HD3 LYS A 102 0.576 -17.301 -5.012 1.00 71.24 H new ATOM 0 HE2 LYS A 102 -0.056 -18.489 -7.074 1.00 52.11 H new ATOM 0 HE3 LYS A 102 -1.487 -18.104 -6.139 1.00 52.11 H new ATOM 0 HZ1 LYS A 102 -1.545 -17.655 -8.623 1.00 0.52 H new ATOM 0 HZ2 LYS A 102 -2.091 -16.410 -7.606 1.00 0.52 H new ATOM 0 HZ3 LYS A 102 -0.548 -16.317 -8.309 1.00 0.52 H new ATOM 1653 N ALA A 103 -0.413 -14.198 -1.224 1.00 43.41 N ATOM 1654 CA ALA A 103 -0.505 -13.199 -0.160 1.00 52.05 C ATOM 1655 C ALA A 103 0.359 -13.565 1.049 1.00 54.02 C ATOM 1656 O ALA A 103 1.134 -12.731 1.527 1.00 44.12 O ATOM 1657 CB ALA A 103 -1.968 -13.020 0.258 1.00 71.10 C ATOM 0 H ALA A 103 -1.317 -14.598 -1.475 1.00 43.41 H new ATOM 0 HA ALA A 103 -0.122 -12.257 -0.552 1.00 52.05 H new ATOM 0 HB1 ALA A 103 -2.031 -12.275 1.051 1.00 71.10 H new ATOM 0 HB2 ALA A 103 -2.553 -12.688 -0.599 1.00 71.10 H new ATOM 0 HB3 ALA A 103 -2.362 -13.970 0.620 1.00 71.10 H new ATOM 1663 N MET A 104 0.241 -14.834 1.498 1.00 34.33 N ATOM 1664 CA MET A 104 0.955 -15.350 2.685 1.00 33.40 C ATOM 1665 C MET A 104 2.483 -15.196 2.559 1.00 23.11 C ATOM 1666 O MET A 104 3.162 -15.008 3.569 1.00 44.13 O ATOM 1667 CB MET A 104 0.597 -16.833 2.959 1.00 22.35 C ATOM 1668 CG MET A 104 0.990 -17.824 1.856 1.00 60.01 C ATOM 1669 SD MET A 104 0.599 -19.534 2.283 1.00 60.12 S ATOM 1670 CE MET A 104 -1.148 -19.428 2.658 1.00 33.42 C ATOM 0 H MET A 104 -0.353 -15.529 1.046 1.00 34.33 H new ATOM 0 HA MET A 104 0.624 -14.745 3.529 1.00 33.40 H new ATOM 0 HB2 MET A 104 1.080 -17.139 3.887 1.00 22.35 H new ATOM 0 HB3 MET A 104 -0.479 -16.905 3.121 1.00 22.35 H new ATOM 0 HG2 MET A 104 0.474 -17.557 0.933 1.00 60.01 H new ATOM 0 HG3 MET A 104 2.059 -17.738 1.660 1.00 60.01 H new ATOM 0 HE1 MET A 104 -1.540 -20.427 2.851 1.00 33.42 H new ATOM 0 HE2 MET A 104 -1.294 -18.804 3.540 1.00 33.42 H new ATOM 0 HE3 MET A 104 -1.676 -18.988 1.812 1.00 33.42 H new ATOM 1680 N ASP A 105 3.005 -15.281 1.308 1.00 73.25 N ATOM 1681 CA ASP A 105 4.438 -15.058 1.023 1.00 63.13 C ATOM 1682 C ASP A 105 4.796 -13.594 1.258 1.00 51.10 C ATOM 1683 O ASP A 105 5.829 -13.296 1.841 1.00 44.10 O ATOM 1684 CB ASP A 105 4.813 -15.424 -0.439 1.00 41.14 C ATOM 1685 CG ASP A 105 4.591 -16.898 -0.773 1.00 52.42 C ATOM 1686 OD1 ASP A 105 5.197 -17.766 -0.113 1.00 14.13 O ATOM 1687 OD2 ASP A 105 3.838 -17.200 -1.719 1.00 71.51 O ATOM 0 H ASP A 105 2.449 -15.503 0.482 1.00 73.25 H new ATOM 0 HA ASP A 105 4.997 -15.708 1.697 1.00 63.13 H new ATOM 0 HB2 ASP A 105 4.223 -14.812 -1.121 1.00 41.14 H new ATOM 0 HB3 ASP A 105 5.860 -15.174 -0.611 1.00 41.14 H new ATOM 1692 N VAL A 106 3.896 -12.693 0.820 1.00 12.10 N ATOM 1693 CA VAL A 106 4.137 -11.235 0.815 1.00 74.00 C ATOM 1694 C VAL A 106 4.087 -10.687 2.262 1.00 23.55 C ATOM 1695 O VAL A 106 4.878 -9.801 2.638 1.00 2.41 O ATOM 1696 CB VAL A 106 3.084 -10.522 -0.113 1.00 14.24 C ATOM 1697 CG1 VAL A 106 3.347 -9.010 -0.227 1.00 33.40 C ATOM 1698 CG2 VAL A 106 3.051 -11.185 -1.509 1.00 12.15 C ATOM 0 H VAL A 106 2.979 -12.955 0.459 1.00 12.10 H new ATOM 0 HA VAL A 106 5.130 -11.029 0.415 1.00 74.00 H new ATOM 0 HB VAL A 106 2.105 -10.642 0.351 1.00 14.24 H new ATOM 0 HG11 VAL A 106 2.597 -8.558 -0.876 1.00 33.40 H new ATOM 0 HG12 VAL A 106 3.292 -8.555 0.762 1.00 33.40 H new ATOM 0 HG13 VAL A 106 4.339 -8.844 -0.648 1.00 33.40 H new ATOM 0 HG21 VAL A 106 2.317 -10.678 -2.135 1.00 12.15 H new ATOM 0 HG22 VAL A 106 4.036 -11.110 -1.971 1.00 12.15 H new ATOM 0 HG23 VAL A 106 2.777 -12.235 -1.407 1.00 12.15 H new ATOM 1708 N TYR A 107 3.166 -11.262 3.066 1.00 42.01 N ATOM 1709 CA TYR A 107 3.082 -11.026 4.517 1.00 52.54 C ATOM 1710 C TYR A 107 4.381 -11.485 5.199 1.00 70.12 C ATOM 1711 O TYR A 107 4.998 -10.728 5.955 1.00 53.10 O ATOM 1712 CB TYR A 107 1.878 -11.791 5.137 1.00 4.44 C ATOM 1713 CG TYR A 107 0.487 -11.260 4.748 1.00 74.53 C ATOM 1714 CD1 TYR A 107 0.132 -9.937 5.003 1.00 21.33 C ATOM 1715 CD2 TYR A 107 -0.483 -12.092 4.183 1.00 42.30 C ATOM 1716 CE1 TYR A 107 -1.132 -9.464 4.716 1.00 22.40 C ATOM 1717 CE2 TYR A 107 -1.745 -11.621 3.879 1.00 13.41 C ATOM 1718 CZ TYR A 107 -2.069 -10.310 4.151 1.00 72.03 C ATOM 1719 OH TYR A 107 -3.341 -9.850 3.881 1.00 51.44 O ATOM 0 H TYR A 107 2.456 -11.907 2.720 1.00 42.01 H new ATOM 0 HA TYR A 107 2.938 -9.958 4.678 1.00 52.54 H new ATOM 0 HB2 TYR A 107 1.944 -12.838 4.842 1.00 4.44 H new ATOM 0 HB3 TYR A 107 1.970 -11.759 6.223 1.00 4.44 H new ATOM 0 HD1 TYR A 107 0.862 -9.268 5.434 1.00 21.33 H new ATOM 0 HD2 TYR A 107 -0.241 -13.125 3.980 1.00 42.30 H new ATOM 0 HE1 TYR A 107 -1.389 -8.437 4.932 1.00 22.40 H new ATOM 0 HE2 TYR A 107 -2.475 -12.278 3.430 1.00 13.41 H new ATOM 0 HH TYR A 107 -3.873 -10.572 3.485 1.00 51.44 H new ATOM 1729 N GLN A 108 4.787 -12.733 4.873 1.00 63.31 N ATOM 1730 CA GLN A 108 5.983 -13.394 5.431 1.00 44.41 C ATOM 1731 C GLN A 108 7.236 -12.536 5.150 1.00 1.03 C ATOM 1732 O GLN A 108 8.073 -12.354 6.034 1.00 51.21 O ATOM 1733 CB GLN A 108 6.107 -14.833 4.818 1.00 24.22 C ATOM 1734 CG GLN A 108 7.031 -15.839 5.550 1.00 50.51 C ATOM 1735 CD GLN A 108 8.523 -15.687 5.231 1.00 11.40 C ATOM 1736 OE1 GLN A 108 9.047 -16.306 4.301 1.00 23.21 O ATOM 1737 NE2 GLN A 108 9.213 -14.862 5.993 1.00 10.43 N ATOM 0 H GLN A 108 4.283 -13.316 4.204 1.00 63.31 H new ATOM 0 HA GLN A 108 5.892 -13.492 6.513 1.00 44.41 H new ATOM 0 HB2 GLN A 108 5.108 -15.266 4.769 1.00 24.22 H new ATOM 0 HB3 GLN A 108 6.462 -14.733 3.792 1.00 24.22 H new ATOM 0 HG2 GLN A 108 6.890 -15.726 6.625 1.00 50.51 H new ATOM 0 HG3 GLN A 108 6.720 -16.851 5.293 1.00 50.51 H new ATOM 0 HE21 GLN A 108 8.751 -14.364 6.754 1.00 10.43 H new ATOM 0 HE22 GLN A 108 10.209 -14.721 5.821 1.00 10.43 H new ATOM 1746 N LYS A 109 7.318 -11.980 3.921 1.00 71.34 N ATOM 1747 CA LYS A 109 8.450 -11.145 3.486 1.00 1.43 C ATOM 1748 C LYS A 109 8.427 -9.762 4.145 1.00 63.25 C ATOM 1749 O LYS A 109 9.485 -9.203 4.405 1.00 5.22 O ATOM 1750 CB LYS A 109 8.505 -11.019 1.936 1.00 64.10 C ATOM 1751 CG LYS A 109 8.729 -12.362 1.199 1.00 22.11 C ATOM 1752 CD LYS A 109 9.971 -13.145 1.696 1.00 24.21 C ATOM 1753 CE LYS A 109 11.291 -12.392 1.478 1.00 3.41 C ATOM 1754 NZ LYS A 109 12.466 -13.181 1.923 1.00 23.10 N ATOM 0 H LYS A 109 6.600 -12.100 3.206 1.00 71.34 H new ATOM 0 HA LYS A 109 9.358 -11.650 3.814 1.00 1.43 H new ATOM 0 HB2 LYS A 109 7.573 -10.576 1.585 1.00 64.10 H new ATOM 0 HB3 LYS A 109 9.306 -10.331 1.667 1.00 64.10 H new ATOM 0 HG2 LYS A 109 7.844 -12.986 1.322 1.00 22.11 H new ATOM 0 HG3 LYS A 109 8.836 -12.167 0.132 1.00 22.11 H new ATOM 0 HD2 LYS A 109 9.855 -13.361 2.758 1.00 24.21 H new ATOM 0 HD3 LYS A 109 10.018 -14.104 1.180 1.00 24.21 H new ATOM 0 HE2 LYS A 109 11.398 -12.148 0.421 1.00 3.41 H new ATOM 0 HE3 LYS A 109 11.263 -11.448 2.021 1.00 3.41 H new ATOM 0 HZ1 LYS A 109 12.883 -12.737 2.766 1.00 23.10 H new ATOM 0 HZ2 LYS A 109 12.166 -14.150 2.154 1.00 23.10 H new ATOM 0 HZ3 LYS A 109 13.174 -13.210 1.161 1.00 23.10 H new ATOM 1768 N ALA A 110 7.222 -9.218 4.414 1.00 21.24 N ATOM 1769 CA ALA A 110 7.077 -7.954 5.170 1.00 71.12 C ATOM 1770 C ALA A 110 7.642 -8.122 6.599 1.00 61.55 C ATOM 1771 O ALA A 110 8.359 -7.250 7.109 1.00 1.22 O ATOM 1772 CB ALA A 110 5.603 -7.520 5.211 1.00 75.13 C ATOM 0 H ALA A 110 6.337 -9.632 4.120 1.00 21.24 H new ATOM 0 HA ALA A 110 7.646 -7.173 4.665 1.00 71.12 H new ATOM 0 HB1 ALA A 110 5.513 -6.589 5.771 1.00 75.13 H new ATOM 0 HB2 ALA A 110 5.240 -7.369 4.194 1.00 75.13 H new ATOM 0 HB3 ALA A 110 5.009 -8.294 5.697 1.00 75.13 H new ATOM 1778 N LEU A 111 7.321 -9.286 7.206 1.00 1.53 N ATOM 1779 CA LEU A 111 7.808 -9.688 8.543 1.00 4.33 C ATOM 1780 C LEU A 111 9.319 -9.989 8.512 1.00 11.32 C ATOM 1781 O LEU A 111 10.038 -9.740 9.488 1.00 40.43 O ATOM 1782 CB LEU A 111 7.036 -10.946 9.017 1.00 62.03 C ATOM 1783 CG LEU A 111 5.488 -10.795 9.085 1.00 74.54 C ATOM 1784 CD1 LEU A 111 4.799 -12.149 9.318 1.00 3.22 C ATOM 1785 CD2 LEU A 111 5.079 -9.759 10.147 1.00 52.32 C ATOM 0 H LEU A 111 6.710 -9.980 6.776 1.00 1.53 H new ATOM 0 HA LEU A 111 7.636 -8.864 9.236 1.00 4.33 H new ATOM 0 HB2 LEU A 111 7.274 -11.771 8.346 1.00 62.03 H new ATOM 0 HB3 LEU A 111 7.401 -11.224 10.006 1.00 62.03 H new ATOM 0 HG LEU A 111 5.148 -10.425 8.117 1.00 74.54 H new ATOM 0 HD11 LEU A 111 3.719 -12.005 9.360 1.00 3.22 H new ATOM 0 HD12 LEU A 111 5.043 -12.827 8.500 1.00 3.22 H new ATOM 0 HD13 LEU A 111 5.145 -12.576 10.259 1.00 3.22 H new ATOM 0 HD21 LEU A 111 3.993 -9.674 10.173 1.00 52.32 H new ATOM 0 HD22 LEU A 111 5.441 -10.077 11.124 1.00 52.32 H new ATOM 0 HD23 LEU A 111 5.513 -8.791 9.897 1.00 52.32 H new ATOM 1797 N ASP A 112 9.769 -10.554 7.375 1.00 10.14 N ATOM 1798 CA ASP A 112 11.175 -10.917 7.138 1.00 64.31 C ATOM 1799 C ASP A 112 12.062 -9.667 7.091 1.00 73.32 C ATOM 1800 O ASP A 112 13.144 -9.641 7.693 1.00 54.00 O ATOM 1801 CB ASP A 112 11.306 -11.726 5.817 1.00 20.53 C ATOM 1802 CG ASP A 112 12.759 -12.021 5.407 1.00 10.24 C ATOM 1803 OD1 ASP A 112 13.431 -12.812 6.100 1.00 50.43 O ATOM 1804 OD2 ASP A 112 13.239 -11.454 4.400 1.00 71.54 O ATOM 0 H ASP A 112 9.158 -10.773 6.588 1.00 10.14 H new ATOM 0 HA ASP A 112 11.512 -11.540 7.966 1.00 64.31 H new ATOM 0 HB2 ASP A 112 10.771 -12.669 5.926 1.00 20.53 H new ATOM 0 HB3 ASP A 112 10.818 -11.173 5.014 1.00 20.53 H new ATOM 1809 N LEU A 113 11.592 -8.631 6.371 1.00 70.33 N ATOM 1810 CA LEU A 113 12.321 -7.356 6.244 1.00 25.32 C ATOM 1811 C LEU A 113 12.250 -6.560 7.557 1.00 14.21 C ATOM 1812 O LEU A 113 13.206 -5.867 7.923 1.00 43.42 O ATOM 1813 CB LEU A 113 11.764 -6.493 5.073 1.00 64.52 C ATOM 1814 CG LEU A 113 11.760 -7.145 3.651 1.00 50.52 C ATOM 1815 CD1 LEU A 113 11.391 -6.114 2.569 1.00 51.21 C ATOM 1816 CD2 LEU A 113 13.093 -7.852 3.332 1.00 60.01 C ATOM 0 H LEU A 113 10.706 -8.653 5.866 1.00 70.33 H new ATOM 0 HA LEU A 113 13.362 -7.596 6.026 1.00 25.32 H new ATOM 0 HB2 LEU A 113 10.741 -6.209 5.318 1.00 64.52 H new ATOM 0 HB3 LEU A 113 12.347 -5.573 5.023 1.00 64.52 H new ATOM 0 HG LEU A 113 10.990 -7.916 3.652 1.00 50.52 H new ATOM 0 HD11 LEU A 113 11.396 -6.595 1.591 1.00 51.21 H new ATOM 0 HD12 LEU A 113 10.397 -5.714 2.771 1.00 51.21 H new ATOM 0 HD13 LEU A 113 12.118 -5.302 2.577 1.00 51.21 H new ATOM 0 HD21 LEU A 113 13.043 -8.289 2.335 1.00 60.01 H new ATOM 0 HD22 LEU A 113 13.907 -7.128 3.371 1.00 60.01 H new ATOM 0 HD23 LEU A 113 13.272 -8.639 4.065 1.00 60.01 H new ATOM 1828 N ASP A 114 11.116 -6.678 8.269 1.00 12.12 N ATOM 1829 CA ASP A 114 10.869 -5.907 9.495 1.00 43.14 C ATOM 1830 C ASP A 114 9.874 -6.626 10.414 1.00 64.24 C ATOM 1831 O ASP A 114 8.697 -6.781 10.073 1.00 71.01 O ATOM 1832 CB ASP A 114 10.353 -4.495 9.133 1.00 30.34 C ATOM 1833 CG ASP A 114 9.999 -3.633 10.349 1.00 73.24 C ATOM 1834 OD1 ASP A 114 10.876 -3.413 11.207 1.00 3.50 O ATOM 1835 OD2 ASP A 114 8.856 -3.140 10.426 1.00 45.13 O ATOM 0 H ASP A 114 10.353 -7.305 8.012 1.00 12.12 H new ATOM 0 HA ASP A 114 11.810 -5.814 10.037 1.00 43.14 H new ATOM 0 HB2 ASP A 114 11.113 -3.981 8.544 1.00 30.34 H new ATOM 0 HB3 ASP A 114 9.471 -4.592 8.500 1.00 30.34 H new ATOM 1840 N SER A 115 10.369 -7.046 11.590 1.00 5.25 N ATOM 1841 CA SER A 115 9.548 -7.684 12.633 1.00 63.12 C ATOM 1842 C SER A 115 8.407 -6.743 13.075 1.00 30.03 C ATOM 1843 O SER A 115 7.265 -7.181 13.237 1.00 62.12 O ATOM 1844 CB SER A 115 10.438 -8.078 13.835 1.00 73.44 C ATOM 1845 OG SER A 115 9.737 -8.895 14.768 1.00 14.33 O ATOM 0 H SER A 115 11.352 -6.952 11.845 1.00 5.25 H new ATOM 0 HA SER A 115 9.096 -8.588 12.225 1.00 63.12 H new ATOM 0 HB2 SER A 115 11.319 -8.610 13.476 1.00 73.44 H new ATOM 0 HB3 SER A 115 10.792 -7.177 14.336 1.00 73.44 H new ATOM 0 HG SER A 115 10.331 -9.125 15.512 1.00 14.33 H new ATOM 1851 N SER A 116 8.720 -5.428 13.182 1.00 43.54 N ATOM 1852 CA SER A 116 7.753 -4.382 13.582 1.00 43.54 C ATOM 1853 C SER A 116 6.565 -4.277 12.585 1.00 61.35 C ATOM 1854 O SER A 116 5.550 -3.624 12.880 1.00 65.01 O ATOM 1855 CB SER A 116 8.492 -3.027 13.714 1.00 41.04 C ATOM 1856 OG SER A 116 7.630 -1.956 14.082 1.00 63.21 O ATOM 0 H SER A 116 9.654 -5.065 12.992 1.00 43.54 H new ATOM 0 HA SER A 116 7.326 -4.657 14.546 1.00 43.54 H new ATOM 0 HB2 SER A 116 9.283 -3.122 14.458 1.00 41.04 H new ATOM 0 HB3 SER A 116 8.974 -2.789 12.766 1.00 41.04 H new ATOM 0 HG SER A 116 8.149 -1.128 14.152 1.00 63.21 H new ATOM 1862 N CYS A 117 6.683 -4.945 11.413 1.00 42.22 N ATOM 1863 CA CYS A 117 5.571 -5.111 10.459 1.00 14.22 C ATOM 1864 C CYS A 117 4.568 -6.209 10.927 1.00 63.42 C ATOM 1865 O CYS A 117 3.836 -6.746 10.100 1.00 41.14 O ATOM 1866 CB CYS A 117 6.099 -5.427 9.042 1.00 54.20 C ATOM 1867 SG CYS A 117 4.833 -5.326 7.743 1.00 23.00 S ATOM 0 H CYS A 117 7.552 -5.382 11.107 1.00 42.22 H new ATOM 0 HA CYS A 117 5.033 -4.164 10.423 1.00 14.22 H new ATOM 0 HB2 CYS A 117 6.906 -4.734 8.803 1.00 54.20 H new ATOM 0 HB3 CYS A 117 6.528 -6.429 9.040 1.00 54.20 H new ATOM 0 HG CYS A 117 3.728 -5.859 8.172 1.00 23.00 H new ATOM 1873 N LYS A 118 4.594 -6.594 12.239 1.00 22.43 N ATOM 1874 CA LYS A 118 3.626 -7.567 12.870 1.00 34.22 C ATOM 1875 C LYS A 118 2.150 -7.452 12.395 1.00 43.53 C ATOM 1876 O LYS A 118 1.407 -8.433 12.489 1.00 62.43 O ATOM 1877 CB LYS A 118 3.625 -7.413 14.422 1.00 31.02 C ATOM 1878 CG LYS A 118 4.928 -7.821 15.141 1.00 12.33 C ATOM 1879 CD LYS A 118 5.374 -9.272 14.833 1.00 13.32 C ATOM 1880 CE LYS A 118 4.324 -10.326 15.218 1.00 11.13 C ATOM 1881 NZ LYS A 118 4.768 -11.694 14.853 1.00 60.14 N ATOM 0 H LYS A 118 5.288 -6.240 12.898 1.00 22.43 H new ATOM 0 HA LYS A 118 3.994 -8.540 12.546 1.00 34.22 H new ATOM 0 HB2 LYS A 118 3.410 -6.372 14.664 1.00 31.02 H new ATOM 0 HB3 LYS A 118 2.808 -8.010 14.826 1.00 31.02 H new ATOM 0 HG2 LYS A 118 5.724 -7.135 14.851 1.00 12.33 H new ATOM 0 HG3 LYS A 118 4.790 -7.712 16.217 1.00 12.33 H new ATOM 0 HD2 LYS A 118 5.593 -9.359 13.769 1.00 13.32 H new ATOM 0 HD3 LYS A 118 6.301 -9.481 15.367 1.00 13.32 H new ATOM 0 HE2 LYS A 118 4.135 -10.278 16.290 1.00 11.13 H new ATOM 0 HE3 LYS A 118 3.382 -10.102 14.718 1.00 11.13 H new ATOM 0 HZ1 LYS A 118 4.037 -12.381 15.126 1.00 60.14 H new ATOM 0 HZ2 LYS A 118 4.925 -11.746 13.826 1.00 60.14 H new ATOM 0 HZ3 LYS A 118 5.654 -11.916 15.350 1.00 60.14 H new ATOM 1895 N GLU A 119 1.731 -6.273 11.922 1.00 63.52 N ATOM 1896 CA GLU A 119 0.391 -6.068 11.332 1.00 11.52 C ATOM 1897 C GLU A 119 0.129 -7.060 10.165 1.00 23.33 C ATOM 1898 O GLU A 119 -0.972 -7.581 10.019 1.00 55.41 O ATOM 1899 CB GLU A 119 0.249 -4.601 10.859 1.00 1.32 C ATOM 1900 CG GLU A 119 1.266 -4.163 9.779 1.00 23.13 C ATOM 1901 CD GLU A 119 1.130 -2.690 9.394 1.00 52.20 C ATOM 1902 OE1 GLU A 119 0.201 -2.350 8.630 1.00 15.34 O ATOM 1903 OE2 GLU A 119 1.915 -1.859 9.893 1.00 14.02 O ATOM 0 H GLU A 119 2.306 -5.431 11.935 1.00 63.52 H new ATOM 0 HA GLU A 119 -0.360 -6.266 12.097 1.00 11.52 H new ATOM 0 HB2 GLU A 119 -0.758 -4.457 10.468 1.00 1.32 H new ATOM 0 HB3 GLU A 119 0.353 -3.944 11.723 1.00 1.32 H new ATOM 0 HG2 GLU A 119 2.277 -4.346 10.144 1.00 23.13 H new ATOM 0 HG3 GLU A 119 1.132 -4.779 8.890 1.00 23.13 H new ATOM 1910 N ALA A 120 1.181 -7.315 9.362 1.00 63.02 N ATOM 1911 CA ALA A 120 1.174 -8.293 8.261 1.00 72.44 C ATOM 1912 C ALA A 120 1.090 -9.747 8.782 1.00 61.31 C ATOM 1913 O ALA A 120 0.671 -10.638 8.042 1.00 60.14 O ATOM 1914 CB ALA A 120 2.422 -8.107 7.371 1.00 31.42 C ATOM 0 H ALA A 120 2.076 -6.836 9.464 1.00 63.02 H new ATOM 0 HA ALA A 120 0.281 -8.110 7.663 1.00 72.44 H new ATOM 0 HB1 ALA A 120 2.404 -8.837 6.561 1.00 31.42 H new ATOM 0 HB2 ALA A 120 2.424 -7.101 6.953 1.00 31.42 H new ATOM 0 HB3 ALA A 120 3.321 -8.252 7.970 1.00 31.42 H new ATOM 1920 N ALA A 121 1.487 -9.993 10.056 1.00 33.34 N ATOM 1921 CA ALA A 121 1.326 -11.324 10.687 1.00 12.35 C ATOM 1922 C ALA A 121 -0.155 -11.572 10.975 1.00 24.21 C ATOM 1923 O ALA A 121 -0.666 -12.671 10.760 1.00 10.04 O ATOM 1924 CB ALA A 121 2.165 -11.443 11.968 1.00 2.50 C ATOM 0 H ALA A 121 1.917 -9.293 10.660 1.00 33.34 H new ATOM 0 HA ALA A 121 1.689 -12.086 9.997 1.00 12.35 H new ATOM 0 HB1 ALA A 121 2.023 -12.431 12.405 1.00 2.50 H new ATOM 0 HB2 ALA A 121 3.218 -11.300 11.728 1.00 2.50 H new ATOM 0 HB3 ALA A 121 1.849 -10.682 12.682 1.00 2.50 H new ATOM 1930 N ASP A 122 -0.840 -10.514 11.445 1.00 40.31 N ATOM 1931 CA ASP A 122 -2.302 -10.524 11.641 1.00 24.51 C ATOM 1932 C ASP A 122 -3.010 -10.760 10.294 1.00 20.14 C ATOM 1933 O ASP A 122 -3.990 -11.517 10.212 1.00 3.41 O ATOM 1934 CB ASP A 122 -2.771 -9.193 12.286 1.00 21.43 C ATOM 1935 CG ASP A 122 -4.281 -9.175 12.576 1.00 74.03 C ATOM 1936 OD1 ASP A 122 -4.697 -9.737 13.611 1.00 11.20 O ATOM 1937 OD2 ASP A 122 -5.054 -8.610 11.774 1.00 51.44 O ATOM 0 H ASP A 122 -0.398 -9.631 11.699 1.00 40.31 H new ATOM 0 HA ASP A 122 -2.564 -11.337 12.318 1.00 24.51 H new ATOM 0 HB2 ASP A 122 -2.225 -9.032 13.215 1.00 21.43 H new ATOM 0 HB3 ASP A 122 -2.523 -8.365 11.622 1.00 21.43 H new ATOM 1942 N GLY A 123 -2.469 -10.105 9.249 1.00 30.34 N ATOM 1943 CA GLY A 123 -2.921 -10.277 7.875 1.00 73.12 C ATOM 1944 C GLY A 123 -2.679 -11.689 7.342 1.00 10.42 C ATOM 1945 O GLY A 123 -3.454 -12.188 6.522 1.00 14.12 O ATOM 0 H GLY A 123 -1.702 -9.440 9.346 1.00 30.34 H new ATOM 0 HA2 GLY A 123 -3.985 -10.049 7.817 1.00 73.12 H new ATOM 0 HA3 GLY A 123 -2.406 -9.560 7.236 1.00 73.12 H new ATOM 1949 N TYR A 124 -1.575 -12.313 7.786 1.00 43.02 N ATOM 1950 CA TYR A 124 -1.226 -13.697 7.428 1.00 35.22 C ATOM 1951 C TYR A 124 -2.289 -14.674 7.962 1.00 4.43 C ATOM 1952 O TYR A 124 -2.838 -15.459 7.186 1.00 23.03 O ATOM 1953 CB TYR A 124 0.195 -14.042 7.960 1.00 35.21 C ATOM 1954 CG TYR A 124 0.591 -15.523 7.861 1.00 30.45 C ATOM 1955 CD1 TYR A 124 0.539 -16.202 6.642 1.00 52.10 C ATOM 1956 CD2 TYR A 124 1.013 -16.239 8.990 1.00 43.15 C ATOM 1957 CE1 TYR A 124 0.884 -17.538 6.553 1.00 15.11 C ATOM 1958 CE2 TYR A 124 1.361 -17.570 8.899 1.00 11.35 C ATOM 1959 CZ TYR A 124 1.294 -18.215 7.683 1.00 64.15 C ATOM 1960 OH TYR A 124 1.623 -19.550 7.600 1.00 55.44 O ATOM 0 H TYR A 124 -0.897 -11.869 8.406 1.00 43.02 H new ATOM 0 HA TYR A 124 -1.209 -13.795 6.343 1.00 35.22 H new ATOM 0 HB2 TYR A 124 0.925 -13.450 7.408 1.00 35.21 H new ATOM 0 HB3 TYR A 124 0.259 -13.735 9.004 1.00 35.21 H new ATOM 0 HD1 TYR A 124 0.224 -15.675 5.754 1.00 52.10 H new ATOM 0 HD2 TYR A 124 1.066 -15.740 9.946 1.00 43.15 H new ATOM 0 HE1 TYR A 124 0.833 -18.049 5.603 1.00 15.11 H new ATOM 0 HE2 TYR A 124 1.685 -18.106 9.779 1.00 11.35 H new ATOM 0 HH TYR A 124 1.892 -19.876 8.484 1.00 55.44 H new ATOM 1970 N GLN A 125 -2.582 -14.581 9.277 1.00 74.11 N ATOM 1971 CA GLN A 125 -3.558 -15.457 9.985 1.00 75.21 C ATOM 1972 C GLN A 125 -4.906 -15.558 9.240 1.00 62.14 C ATOM 1973 O GLN A 125 -5.360 -16.660 8.921 1.00 42.22 O ATOM 1974 CB GLN A 125 -3.755 -14.954 11.462 1.00 31.31 C ATOM 1975 CG GLN A 125 -2.861 -15.647 12.520 1.00 32.35 C ATOM 1976 CD GLN A 125 -1.411 -15.830 12.075 1.00 64.44 C ATOM 1977 OE1 GLN A 125 -0.601 -14.822 12.293 1.00 34.31 O flip ATOM 1978 NE2 GLN A 125 -1.027 -16.866 11.522 1.00 52.42 N flip ATOM 0 H GLN A 125 -2.147 -13.891 9.889 1.00 74.11 H new ATOM 0 HA GLN A 125 -3.146 -16.466 10.007 1.00 75.21 H new ATOM 0 HB2 GLN A 125 -3.561 -13.882 11.492 1.00 31.31 H new ATOM 0 HB3 GLN A 125 -4.799 -15.098 11.741 1.00 31.31 H new ATOM 0 HG2 GLN A 125 -2.878 -15.060 13.438 1.00 32.35 H new ATOM 0 HG3 GLN A 125 -3.285 -16.623 12.758 1.00 32.35 H new ATOM 0 HE21 GLN A 125 -1.681 -17.633 11.366 1.00 52.42 H new ATOM 0 HE22 GLN A 125 -0.056 -16.954 11.221 1.00 52.42 H new ATOM 1987 N ARG A 126 -5.499 -14.395 8.932 1.00 24.24 N ATOM 1988 CA ARG A 126 -6.786 -14.302 8.203 1.00 62.03 C ATOM 1989 C ARG A 126 -6.669 -14.829 6.748 1.00 4.34 C ATOM 1990 O ARG A 126 -7.657 -15.313 6.188 1.00 0.12 O ATOM 1991 CB ARG A 126 -7.318 -12.836 8.217 1.00 51.45 C ATOM 1992 CG ARG A 126 -6.279 -11.799 7.765 1.00 75.52 C ATOM 1993 CD ARG A 126 -6.798 -10.358 7.718 1.00 23.44 C ATOM 1994 NE ARG A 126 -7.667 -10.115 6.564 1.00 33.33 N ATOM 1995 CZ ARG A 126 -8.141 -8.917 6.195 1.00 2.41 C ATOM 1996 NH1 ARG A 126 -7.843 -7.818 6.884 1.00 23.24 N ATOM 1997 NH2 ARG A 126 -8.895 -8.819 5.111 1.00 34.31 N ATOM 0 H ARG A 126 -5.104 -13.488 9.179 1.00 24.24 H new ATOM 0 HA ARG A 126 -7.501 -14.940 8.721 1.00 62.03 H new ATOM 0 HB2 ARG A 126 -8.191 -12.769 7.568 1.00 51.45 H new ATOM 0 HB3 ARG A 126 -7.650 -12.589 9.225 1.00 51.45 H new ATOM 0 HG2 ARG A 126 -5.424 -11.842 8.440 1.00 75.52 H new ATOM 0 HG3 ARG A 126 -5.917 -12.074 6.774 1.00 75.52 H new ATOM 0 HD2 ARG A 126 -7.347 -10.142 8.635 1.00 23.44 H new ATOM 0 HD3 ARG A 126 -5.952 -9.671 7.684 1.00 23.44 H new ATOM 0 HE ARG A 126 -7.932 -10.920 5.997 1.00 33.33 H new ATOM 0 HH11 ARG A 126 -7.245 -7.879 7.708 1.00 23.24 H new ATOM 0 HH12 ARG A 126 -8.213 -6.915 6.588 1.00 23.24 H new ATOM 0 HH21 ARG A 126 -9.111 -9.652 4.563 1.00 34.31 H new ATOM 0 HH22 ARG A 126 -9.260 -7.911 4.824 1.00 34.31 H new ATOM 2011 N CYS A 127 -5.452 -14.765 6.157 1.00 23.41 N ATOM 2012 CA CYS A 127 -5.224 -15.130 4.741 1.00 34.34 C ATOM 2013 C CYS A 127 -5.131 -16.653 4.573 1.00 14.32 C ATOM 2014 O CYS A 127 -5.849 -17.241 3.754 1.00 63.44 O ATOM 2015 CB CYS A 127 -3.940 -14.454 4.222 1.00 32.05 C ATOM 2016 SG CYS A 127 -3.574 -14.802 2.497 1.00 52.53 S ATOM 0 H CYS A 127 -4.609 -14.462 6.644 1.00 23.41 H new ATOM 0 HA CYS A 127 -6.073 -14.778 4.155 1.00 34.34 H new ATOM 0 HB2 CYS A 127 -4.032 -13.376 4.353 1.00 32.05 H new ATOM 0 HB3 CYS A 127 -3.098 -14.779 4.834 1.00 32.05 H new ATOM 0 HG CYS A 127 -4.555 -14.385 1.753 1.00 52.53 H new ATOM 2022 N MET A 128 -4.249 -17.283 5.373 1.00 32.25 N ATOM 2023 CA MET A 128 -4.049 -18.742 5.355 1.00 63.30 C ATOM 2024 C MET A 128 -5.329 -19.482 5.783 1.00 13.24 C ATOM 2025 O MET A 128 -5.732 -20.449 5.133 1.00 34.44 O ATOM 2026 CB MET A 128 -2.853 -19.169 6.259 1.00 50.30 C ATOM 2027 CG MET A 128 -2.910 -18.660 7.711 1.00 73.05 C ATOM 2028 SD MET A 128 -1.789 -19.543 8.810 1.00 22.21 S ATOM 2029 CE MET A 128 -2.600 -21.142 8.905 1.00 54.43 C ATOM 0 H MET A 128 -3.658 -16.796 6.047 1.00 32.25 H new ATOM 0 HA MET A 128 -3.813 -19.020 4.328 1.00 63.30 H new ATOM 0 HB2 MET A 128 -2.802 -20.258 6.275 1.00 50.30 H new ATOM 0 HB3 MET A 128 -1.929 -18.813 5.803 1.00 50.30 H new ATOM 0 HG2 MET A 128 -2.665 -17.598 7.728 1.00 73.05 H new ATOM 0 HG3 MET A 128 -3.929 -18.758 8.085 1.00 73.05 H new ATOM 0 HE1 MET A 128 -2.268 -21.666 9.801 1.00 54.43 H new ATOM 0 HE2 MET A 128 -3.680 -21.000 8.947 1.00 54.43 H new ATOM 0 HE3 MET A 128 -2.345 -21.732 8.025 1.00 54.43 H new ATOM 2039 N MET A 129 -5.994 -18.983 6.851 1.00 1.14 N ATOM 2040 CA MET A 129 -7.188 -19.641 7.412 1.00 54.31 C ATOM 2041 C MET A 129 -8.374 -19.554 6.431 1.00 4.24 C ATOM 2042 O MET A 129 -9.286 -20.361 6.513 1.00 44.41 O ATOM 2043 CB MET A 129 -7.600 -19.032 8.792 1.00 31.31 C ATOM 2044 CG MET A 129 -8.457 -17.754 8.711 1.00 42.33 C ATOM 2045 SD MET A 129 -9.118 -17.225 10.301 1.00 41.21 S ATOM 2046 CE MET A 129 -10.384 -16.071 9.765 1.00 4.12 C ATOM 0 H MET A 129 -5.722 -18.129 7.338 1.00 1.14 H new ATOM 0 HA MET A 129 -6.927 -20.687 7.570 1.00 54.31 H new ATOM 0 HB2 MET A 129 -8.151 -19.786 9.355 1.00 31.31 H new ATOM 0 HB3 MET A 129 -6.696 -18.809 9.358 1.00 31.31 H new ATOM 0 HG2 MET A 129 -7.854 -16.949 8.292 1.00 42.33 H new ATOM 0 HG3 MET A 129 -9.284 -17.925 8.022 1.00 42.33 H new ATOM 0 HE1 MET A 129 -10.889 -15.654 10.636 1.00 4.12 H new ATOM 0 HE2 MET A 129 -9.924 -15.266 9.192 1.00 4.12 H new ATOM 0 HE3 MET A 129 -11.110 -16.592 9.140 1.00 4.12 H new ATOM 2056 N ALA A 130 -8.343 -18.555 5.520 1.00 43.33 N ATOM 2057 CA ALA A 130 -9.441 -18.287 4.572 1.00 63.33 C ATOM 2058 C ALA A 130 -9.657 -19.463 3.607 1.00 23.12 C ATOM 2059 O ALA A 130 -10.801 -19.821 3.306 1.00 31.12 O ATOM 2060 CB ALA A 130 -9.166 -16.994 3.800 1.00 30.20 C ATOM 0 H ALA A 130 -7.555 -17.914 5.424 1.00 43.33 H new ATOM 0 HA ALA A 130 -10.360 -18.167 5.146 1.00 63.33 H new ATOM 0 HB1 ALA A 130 -9.983 -16.806 3.103 1.00 30.20 H new ATOM 0 HB2 ALA A 130 -9.087 -16.162 4.500 1.00 30.20 H new ATOM 0 HB3 ALA A 130 -8.232 -17.092 3.247 1.00 30.20 H new ATOM 2066 N GLN A 131 -8.548 -20.054 3.120 1.00 43.51 N ATOM 2067 CA GLN A 131 -8.604 -21.258 2.264 1.00 20.11 C ATOM 2068 C GLN A 131 -8.749 -22.532 3.110 1.00 41.15 C ATOM 2069 O GLN A 131 -9.320 -23.523 2.644 1.00 15.22 O ATOM 2070 CB GLN A 131 -7.370 -21.356 1.320 1.00 71.54 C ATOM 2071 CG GLN A 131 -6.001 -21.198 1.993 1.00 13.43 C ATOM 2072 CD GLN A 131 -4.826 -21.437 1.042 1.00 21.24 C ATOM 2073 OE1 GLN A 131 -4.933 -22.159 0.052 1.00 4.12 O ATOM 2074 NE2 GLN A 131 -3.679 -20.887 1.372 1.00 41.52 N ATOM 0 H GLN A 131 -7.603 -19.718 3.304 1.00 43.51 H new ATOM 0 HA GLN A 131 -9.489 -21.164 1.635 1.00 20.11 H new ATOM 0 HB2 GLN A 131 -7.397 -22.322 0.817 1.00 71.54 H new ATOM 0 HB3 GLN A 131 -7.465 -20.592 0.548 1.00 71.54 H new ATOM 0 HG2 GLN A 131 -5.923 -20.194 2.410 1.00 13.43 H new ATOM 0 HG3 GLN A 131 -5.932 -21.896 2.827 1.00 13.43 H new ATOM 0 HE21 GLN A 131 -3.618 -20.292 2.198 1.00 41.52 H new ATOM 0 HE22 GLN A 131 -2.850 -21.055 0.802 1.00 41.52 H new ATOM 2083 N TYR A 132 -8.247 -22.504 4.360 1.00 33.22 N ATOM 2084 CA TYR A 132 -8.342 -23.657 5.286 1.00 33.23 C ATOM 2085 C TYR A 132 -9.522 -23.435 6.262 1.00 1.41 C ATOM 2086 O TYR A 132 -9.464 -23.832 7.434 1.00 22.11 O ATOM 2087 CB TYR A 132 -6.991 -23.827 6.065 1.00 14.10 C ATOM 2088 CG TYR A 132 -5.702 -23.796 5.203 1.00 3.54 C ATOM 2089 CD1 TYR A 132 -5.677 -24.282 3.890 1.00 43.20 C ATOM 2090 CD2 TYR A 132 -4.510 -23.253 5.710 1.00 1.00 C ATOM 2091 CE1 TYR A 132 -4.522 -24.224 3.123 1.00 15.11 C ATOM 2092 CE2 TYR A 132 -3.360 -23.201 4.946 1.00 63.15 C ATOM 2093 CZ TYR A 132 -3.369 -23.684 3.659 1.00 22.11 C ATOM 2094 OH TYR A 132 -2.217 -23.621 2.900 1.00 43.42 O ATOM 0 H TYR A 132 -7.770 -21.694 4.756 1.00 33.22 H new ATOM 0 HA TYR A 132 -8.525 -24.571 4.721 1.00 33.23 H new ATOM 0 HB2 TYR A 132 -6.924 -23.037 6.813 1.00 14.10 H new ATOM 0 HB3 TYR A 132 -7.022 -24.774 6.604 1.00 14.10 H new ATOM 0 HD1 TYR A 132 -6.573 -24.710 3.466 1.00 43.20 H new ATOM 0 HD2 TYR A 132 -4.492 -22.868 6.719 1.00 1.00 H new ATOM 0 HE1 TYR A 132 -4.525 -24.600 2.110 1.00 15.11 H new ATOM 0 HE2 TYR A 132 -2.455 -22.781 5.360 1.00 63.15 H new ATOM 0 HH TYR A 132 -1.500 -23.212 3.428 1.00 43.42 H new ATOM 2104 N ASN A 133 -10.615 -22.832 5.747 1.00 60.21 N ATOM 2105 CA ASN A 133 -11.776 -22.409 6.558 1.00 54.25 C ATOM 2106 C ASN A 133 -12.860 -23.510 6.523 1.00 70.21 C ATOM 2107 O ASN A 133 -13.456 -23.718 5.451 1.00 22.41 O ATOM 2108 CB ASN A 133 -12.337 -21.030 6.036 1.00 2.03 C ATOM 2109 CG ASN A 133 -12.699 -20.037 7.145 1.00 3.15 C ATOM 2110 OD1 ASN A 133 -11.855 -19.927 8.161 1.00 70.51 O flip ATOM 2111 ND2 ASN A 133 -13.698 -19.320 7.056 1.00 34.14 N flip ATOM 2112 OXT ASN A 133 -13.088 -24.183 7.553 1.00 38.04 O ATOM 0 H ASN A 133 -10.717 -22.624 4.754 1.00 60.21 H new ATOM 0 HA ASN A 133 -11.465 -22.266 7.593 1.00 54.25 H new ATOM 0 HB2 ASN A 133 -11.594 -20.572 5.383 1.00 2.03 H new ATOM 0 HB3 ASN A 133 -13.223 -21.218 5.429 1.00 2.03 H new ATOM 0 HD21 ASN A 133 -14.332 -19.425 6.264 1.00 34.14 H new ATOM 0 HD22 ASN A 133 -13.891 -18.622 7.775 1.00 34.14 H new TER 2119 ASN A 133