USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1200 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 46 MET CE :methyl 180:sc= -3.19 (180deg=-3.19) USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 22 GLN : amide:sc= -0.423 K(o=-0.82,f=1.6) USER MOD Set 2.2: A 27 TYR OH : rot 180:sc= -0.4 USER MOD Set 3.1: A 8 HIS : no HD1:sc= 0.97 K(o=2.4,f=-5.7!) USER MOD Set 3.2: A 102 THR OG1 : rot 131:sc= 1.4 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0596 (180deg=-0.651) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.599 (180deg=0.499) USER MOD Single : A 3 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.015) USER MOD Single : A 4 HIS : no HE2:sc= -0.0118 K(o=-0.012,f=-1.4) USER MOD Single : A 5 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.17) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.011) USER MOD Single : A 9 SER OG : rot 180:sc= -0.141 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 151:sc= -0.229 (180deg=-0.927) USER MOD Single : A 14 HIS : no HD1:sc= -1.3! K(o=-1.3!,f=0) USER MOD Single : A 18 THR OG1 : rot -14:sc= -0.345! USER MOD Single : A 19 TYR OH : rot 165:sc= 0.269 USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.0859 (180deg=-0.423) USER MOD Single : A 25 GLN : amide:sc= 0.428 X(o=0.43,f=-0.0075) USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= -0.0877 (180deg=-0.436) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc=-0.00282 (180deg=-0.0641) USER MOD Single : A 44 SER OG : rot 86:sc= 0.869 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl 159:sc= -0.103 (180deg=-0.575) USER MOD Single : A 61 LYS NZ :NH3+ 135:sc= -0.123 (180deg=-0.595) USER MOD Single : A 62 GLN : amide:sc= 1.29 K(o=1.3,f=-0.45) USER MOD Single : A 68 MET CE :methyl -162:sc= -0.114 (180deg=-0.474) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -79:sc= 0.822 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.0152 K(o=-0.015,f=-1.1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -145:sc= 1.15 (180deg=-0.263) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -1.41! K(o=-1.4!,f=-0.22) USER MOD Single : A 99 THR OG1 : rot -27:sc= 0.782 USER MOD Single : A 100 SER OG : rot -38:sc= 0.888 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.0331 K(o=-0.033,f=-0.76) USER MOD Single : A 112 TYR OH : rot 168:sc= 0.999 USER MOD Single : A 113 MET CE :methyl -176:sc= -2.27 (180deg=-2.4) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= -0.311 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -26:sc= 0.0146 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 117:sc= 0.115 USER MOD Single : A 128 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.026) USER MOD Single : A 130 ASN : amide:sc= -0.0342 X(o=-0.034,f=-0.4) USER MOD Single : A 133 GLN : amide:sc= 0.553 K(o=0.55,f=-0.00051) USER MOD Single : A 138 SER OG : rot 77:sc= 1.06 USER MOD Single : A 139 ASN : amide:sc= -3.7! C(o=-3.7!,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.569 6.410 -5.261 1.00 55.21 N ATOM 2 CA MET A 1 15.754 5.175 -5.058 1.00 50.31 C ATOM 3 C MET A 1 15.283 4.574 -6.392 1.00 61.22 C ATOM 4 O MET A 1 15.229 3.354 -6.546 1.00 53.04 O ATOM 5 CB MET A 1 14.541 5.468 -4.165 1.00 71.42 C ATOM 6 CG MET A 1 14.908 5.883 -2.747 1.00 73.31 C ATOM 7 SD MET A 1 15.889 4.636 -1.881 1.00 4.45 S ATOM 8 CE MET A 1 14.727 3.275 -1.773 1.00 4.42 C ATOM 0 H1 MET A 1 17.538 6.246 -4.921 1.00 55.21 H new ATOM 0 H2 MET A 1 16.593 6.648 -6.273 1.00 55.21 H new ATOM 0 H3 MET A 1 16.144 7.197 -4.730 1.00 55.21 H new ATOM 0 HA MET A 1 16.396 4.444 -4.566 1.00 50.31 H new ATOM 0 HB2 MET A 1 13.947 6.259 -4.623 1.00 71.42 H new ATOM 0 HB3 MET A 1 13.910 4.580 -4.122 1.00 71.42 H new ATOM 0 HG2 MET A 1 15.467 6.818 -2.781 1.00 73.31 H new ATOM 0 HG3 MET A 1 13.996 6.077 -2.183 1.00 73.31 H new ATOM 0 HE1 MET A 1 15.058 2.574 -1.007 1.00 4.42 H new ATOM 0 HE2 MET A 1 13.741 3.659 -1.512 1.00 4.42 H new ATOM 0 HE3 MET A 1 14.675 2.764 -2.734 1.00 4.42 H new ATOM 20 N GLY A 2 14.935 5.434 -7.348 1.00 22.03 N ATOM 21 CA GLY A 2 14.465 4.971 -8.652 1.00 12.12 C ATOM 22 C GLY A 2 15.566 4.875 -9.709 1.00 41.41 C ATOM 23 O GLY A 2 15.305 4.442 -10.830 1.00 3.05 O ATOM 0 H GLY A 2 14.969 6.448 -7.245 1.00 22.03 H new ATOM 0 HA2 GLY A 2 14.002 3.991 -8.534 1.00 12.12 H new ATOM 0 HA3 GLY A 2 13.690 5.649 -9.009 1.00 12.12 H new ATOM 27 N HIS A 3 16.795 5.287 -9.362 1.00 74.13 N ATOM 28 CA HIS A 3 17.930 5.210 -10.299 1.00 63.02 C ATOM 29 C HIS A 3 18.117 3.777 -10.816 1.00 71.34 C ATOM 30 O HIS A 3 18.744 2.942 -10.161 1.00 1.04 O ATOM 31 CB HIS A 3 19.230 5.706 -9.645 1.00 64.41 C ATOM 32 CG HIS A 3 19.221 7.163 -9.300 1.00 61.33 C ATOM 33 ND1 HIS A 3 19.303 7.635 -8.009 1.00 4.32 N ATOM 34 CD2 HIS A 3 19.160 8.260 -10.090 1.00 55.01 C ATOM 35 CE1 HIS A 3 19.291 8.953 -8.022 1.00 74.20 C ATOM 36 NE2 HIS A 3 19.207 9.354 -9.270 1.00 14.24 N ATOM 0 H HIS A 3 17.029 5.674 -8.448 1.00 74.13 H new ATOM 0 HA HIS A 3 17.700 5.861 -11.143 1.00 63.02 H new ATOM 0 HB2 HIS A 3 19.411 5.129 -8.738 1.00 64.41 H new ATOM 0 HB3 HIS A 3 20.063 5.508 -10.320 1.00 64.41 H new ATOM 0 HD2 HIS A 3 19.088 8.270 -11.168 1.00 55.01 H new ATOM 0 HE1 HIS A 3 19.342 9.594 -7.154 1.00 74.20 H new ATOM 0 HE2 HIS A 3 19.181 10.326 -9.578 1.00 14.24 H new ATOM 45 N HIS A 4 17.561 3.504 -11.993 1.00 14.32 N ATOM 46 CA HIS A 4 17.540 2.150 -12.547 1.00 74.25 C ATOM 47 C HIS A 4 18.948 1.625 -12.899 1.00 63.31 C ATOM 48 O HIS A 4 19.402 1.743 -14.036 1.00 43.50 O ATOM 49 CB HIS A 4 16.638 2.110 -13.786 1.00 52.04 C ATOM 50 CG HIS A 4 16.404 0.727 -14.307 1.00 14.13 C ATOM 51 ND1 HIS A 4 17.335 0.032 -15.048 1.00 74.22 N ATOM 52 CD2 HIS A 4 15.341 -0.100 -14.178 1.00 53.24 C ATOM 53 CE1 HIS A 4 16.857 -1.154 -15.354 1.00 73.51 C ATOM 54 NE2 HIS A 4 15.650 -1.260 -14.839 1.00 52.34 N ATOM 0 H HIS A 4 17.116 4.205 -12.586 1.00 14.32 H new ATOM 0 HA HIS A 4 17.142 1.493 -11.774 1.00 74.25 H new ATOM 0 HB2 HIS A 4 15.678 2.566 -13.542 1.00 52.04 H new ATOM 0 HB3 HIS A 4 17.087 2.715 -14.573 1.00 52.04 H new ATOM 0 HD1 HIS A 4 18.254 0.384 -15.318 1.00 74.22 H new ATOM 0 HD2 HIS A 4 14.422 0.114 -13.653 1.00 53.24 H new ATOM 0 HE1 HIS A 4 17.367 -1.912 -15.930 1.00 73.51 H new ATOM 63 N HIS A 5 19.635 1.070 -11.902 1.00 32.02 N ATOM 64 CA HIS A 5 20.910 0.361 -12.102 1.00 2.30 C ATOM 65 C HIS A 5 21.060 -0.759 -11.059 1.00 30.53 C ATOM 66 O HIS A 5 20.426 -0.718 -10.007 1.00 72.42 O ATOM 67 CB HIS A 5 22.112 1.319 -11.998 1.00 4.43 C ATOM 68 CG HIS A 5 22.188 2.356 -13.084 1.00 40.12 C ATOM 69 ND1 HIS A 5 22.094 3.710 -12.840 1.00 74.30 N ATOM 70 CD2 HIS A 5 22.378 2.237 -14.424 1.00 54.21 C ATOM 71 CE1 HIS A 5 22.220 4.375 -13.972 1.00 52.13 C ATOM 72 NE2 HIS A 5 22.395 3.509 -14.949 1.00 53.54 N ATOM 0 H HIS A 5 19.328 1.096 -10.930 1.00 32.02 H new ATOM 0 HA HIS A 5 20.896 -0.066 -13.105 1.00 2.30 H new ATOM 0 HB2 HIS A 5 22.073 1.825 -11.034 1.00 4.43 H new ATOM 0 HB3 HIS A 5 23.030 0.731 -12.012 1.00 4.43 H new ATOM 0 HD2 HIS A 5 22.494 1.315 -14.975 1.00 54.21 H new ATOM 0 HE1 HIS A 5 22.185 5.449 -14.080 1.00 52.13 H new ATOM 0 HE2 HIS A 5 22.522 3.743 -15.934 1.00 53.54 H new ATOM 81 N HIS A 6 21.899 -1.755 -11.362 1.00 24.24 N ATOM 82 CA HIS A 6 22.170 -2.872 -10.438 1.00 15.11 C ATOM 83 C HIS A 6 20.906 -3.702 -10.141 1.00 4.33 C ATOM 84 O HIS A 6 20.798 -4.323 -9.081 1.00 23.21 O ATOM 85 CB HIS A 6 22.762 -2.351 -9.120 1.00 43.30 C ATOM 86 CG HIS A 6 23.978 -1.495 -9.297 1.00 35.22 C ATOM 87 ND1 HIS A 6 23.961 -0.124 -9.157 1.00 44.20 N ATOM 88 CD2 HIS A 6 25.255 -1.821 -9.598 1.00 42.21 C ATOM 89 CE1 HIS A 6 25.171 0.354 -9.367 1.00 23.11 C ATOM 90 NE2 HIS A 6 25.973 -0.652 -9.635 1.00 42.00 N ATOM 0 H HIS A 6 22.407 -1.814 -12.244 1.00 24.24 H new ATOM 0 HA HIS A 6 22.891 -3.523 -10.933 1.00 15.11 H new ATOM 0 HB2 HIS A 6 22.000 -1.778 -8.592 1.00 43.30 H new ATOM 0 HB3 HIS A 6 23.017 -3.201 -8.487 1.00 43.30 H new ATOM 0 HD2 HIS A 6 25.638 -2.815 -9.776 1.00 42.21 H new ATOM 0 HE1 HIS A 6 25.455 1.395 -9.326 1.00 23.11 H new ATOM 0 HE2 HIS A 6 26.970 -0.576 -9.838 1.00 42.00 H new ATOM 99 N HIS A 7 19.966 -3.736 -11.088 1.00 12.45 N ATOM 100 CA HIS A 7 18.692 -4.435 -10.880 1.00 20.43 C ATOM 101 C HIS A 7 18.896 -5.939 -10.630 1.00 72.14 C ATOM 102 O HIS A 7 19.006 -6.729 -11.572 1.00 43.21 O ATOM 103 CB HIS A 7 17.754 -4.231 -12.078 1.00 41.12 C ATOM 104 CG HIS A 7 16.405 -4.873 -11.896 1.00 13.43 C ATOM 105 ND1 HIS A 7 16.069 -6.107 -12.423 1.00 23.21 N ATOM 106 CD2 HIS A 7 15.303 -4.446 -11.231 1.00 20.32 C ATOM 107 CE1 HIS A 7 14.828 -6.404 -12.088 1.00 13.24 C ATOM 108 NE2 HIS A 7 14.344 -5.416 -11.366 1.00 3.01 N ATOM 0 H HIS A 7 20.060 -3.291 -12.001 1.00 12.45 H new ATOM 0 HA HIS A 7 18.235 -4.003 -9.990 1.00 20.43 H new ATOM 0 HB2 HIS A 7 17.620 -3.163 -12.247 1.00 41.12 H new ATOM 0 HB3 HIS A 7 18.225 -4.639 -12.972 1.00 41.12 H new ATOM 0 HD2 HIS A 7 15.200 -3.514 -10.694 1.00 20.32 H new ATOM 0 HE1 HIS A 7 14.299 -7.305 -12.360 1.00 13.24 H new ATOM 0 HE2 HIS A 7 13.405 -5.378 -10.970 1.00 3.01 H new ATOM 117 N HIS A 8 18.964 -6.318 -9.359 1.00 1.23 N ATOM 118 CA HIS A 8 19.053 -7.729 -8.971 1.00 14.10 C ATOM 119 C HIS A 8 17.703 -8.430 -9.182 1.00 12.53 C ATOM 120 O HIS A 8 16.662 -7.924 -8.762 1.00 3.14 O ATOM 121 CB HIS A 8 19.483 -7.845 -7.503 1.00 41.23 C ATOM 122 CG HIS A 8 20.808 -7.205 -7.214 1.00 33.52 C ATOM 123 ND1 HIS A 8 20.949 -6.068 -6.447 1.00 44.34 N ATOM 124 CD2 HIS A 8 22.062 -7.558 -7.586 1.00 65.12 C ATOM 125 CE1 HIS A 8 22.224 -5.750 -6.362 1.00 21.43 C ATOM 126 NE2 HIS A 8 22.923 -6.637 -7.041 1.00 2.24 N ATOM 0 H HIS A 8 18.959 -5.668 -8.573 1.00 1.23 H new ATOM 0 HA HIS A 8 19.799 -8.216 -9.599 1.00 14.10 H new ATOM 0 HB2 HIS A 8 18.722 -7.386 -6.873 1.00 41.23 H new ATOM 0 HB3 HIS A 8 19.530 -8.899 -7.229 1.00 41.23 H new ATOM 0 HD2 HIS A 8 22.334 -8.406 -8.197 1.00 65.12 H new ATOM 0 HE1 HIS A 8 22.629 -4.904 -5.826 1.00 21.43 H new ATOM 0 HE2 HIS A 8 23.938 -6.639 -7.145 1.00 2.24 H new ATOM 135 N SER A 9 17.722 -9.584 -9.841 1.00 53.23 N ATOM 136 CA SER A 9 16.484 -10.333 -10.101 1.00 55.42 C ATOM 137 C SER A 9 16.027 -11.102 -8.852 1.00 42.21 C ATOM 138 O SER A 9 16.716 -11.126 -7.833 1.00 42.25 O ATOM 139 CB SER A 9 16.670 -11.306 -11.275 1.00 12.34 C ATOM 140 OG SER A 9 15.428 -11.866 -11.676 1.00 64.34 O ATOM 0 H SER A 9 18.568 -10.023 -10.204 1.00 53.23 H new ATOM 0 HA SER A 9 15.712 -9.609 -10.363 1.00 55.42 H new ATOM 0 HB2 SER A 9 17.125 -10.783 -12.116 1.00 12.34 H new ATOM 0 HB3 SER A 9 17.355 -12.103 -10.986 1.00 12.34 H new ATOM 0 HG SER A 9 15.573 -12.480 -12.426 1.00 64.34 H new ATOM 146 N HIS A 10 14.858 -11.729 -8.933 1.00 11.10 N ATOM 147 CA HIS A 10 14.307 -12.478 -7.799 1.00 13.20 C ATOM 148 C HIS A 10 14.462 -13.994 -7.997 1.00 41.11 C ATOM 149 O HIS A 10 14.071 -14.542 -9.029 1.00 23.11 O ATOM 150 CB HIS A 10 12.829 -12.125 -7.598 1.00 61.20 C ATOM 151 CG HIS A 10 12.592 -10.669 -7.316 1.00 2.42 C ATOM 152 ND1 HIS A 10 12.235 -9.763 -8.289 1.00 72.02 N ATOM 153 CD2 HIS A 10 12.662 -9.964 -6.161 1.00 33.33 C ATOM 154 CE1 HIS A 10 12.100 -8.570 -7.751 1.00 33.32 C ATOM 155 NE2 HIS A 10 12.349 -8.661 -6.460 1.00 14.13 N ATOM 0 H HIS A 10 14.272 -11.736 -9.768 1.00 11.10 H new ATOM 0 HA HIS A 10 14.870 -12.195 -6.909 1.00 13.20 H new ATOM 0 HB2 HIS A 10 12.272 -12.409 -8.491 1.00 61.20 H new ATOM 0 HB3 HIS A 10 12.432 -12.716 -6.773 1.00 61.20 H new ATOM 0 HD2 HIS A 10 12.917 -10.354 -5.187 1.00 33.33 H new ATOM 0 HE1 HIS A 10 11.830 -7.667 -8.279 1.00 33.32 H new ATOM 0 HE2 HIS A 10 12.315 -7.890 -5.793 1.00 14.13 H new ATOM 164 N MET A 11 15.036 -14.661 -7.001 1.00 15.23 N ATOM 165 CA MET A 11 15.211 -16.119 -7.031 1.00 11.11 C ATOM 166 C MET A 11 13.881 -16.849 -6.756 1.00 75.44 C ATOM 167 O MET A 11 12.908 -16.228 -6.315 1.00 23.44 O ATOM 168 CB MET A 11 16.249 -16.530 -5.978 1.00 60.53 C ATOM 169 CG MET A 11 17.651 -15.999 -6.243 1.00 41.45 C ATOM 170 SD MET A 11 18.794 -16.406 -4.909 1.00 74.41 S ATOM 171 CE MET A 11 18.567 -18.183 -4.807 1.00 3.11 C ATOM 0 H MET A 11 15.392 -14.216 -6.155 1.00 15.23 H new ATOM 0 HA MET A 11 15.554 -16.402 -8.026 1.00 11.11 H new ATOM 0 HB2 MET A 11 15.918 -16.178 -5.001 1.00 60.53 H new ATOM 0 HB3 MET A 11 16.288 -17.618 -5.928 1.00 60.53 H new ATOM 0 HG2 MET A 11 18.024 -16.414 -7.179 1.00 41.45 H new ATOM 0 HG3 MET A 11 17.611 -14.917 -6.368 1.00 41.45 H new ATOM 0 HE1 MET A 11 19.487 -18.648 -4.452 1.00 3.11 H new ATOM 0 HE2 MET A 11 17.756 -18.407 -4.114 1.00 3.11 H new ATOM 0 HE3 MET A 11 18.320 -18.575 -5.793 1.00 3.11 H new ATOM 181 N PRO A 12 13.810 -18.173 -7.031 1.00 24.13 N ATOM 182 CA PRO A 12 12.644 -18.994 -6.661 1.00 53.52 C ATOM 183 C PRO A 12 12.229 -18.788 -5.195 1.00 41.42 C ATOM 184 O PRO A 12 12.907 -19.236 -4.266 1.00 22.31 O ATOM 185 CB PRO A 12 13.133 -20.427 -6.904 1.00 4.01 C ATOM 186 CG PRO A 12 14.144 -20.289 -7.990 1.00 41.14 C ATOM 187 CD PRO A 12 14.831 -18.967 -7.749 1.00 60.14 C ATOM 0 HA PRO A 12 11.755 -18.737 -7.237 1.00 53.52 H new ATOM 0 HB2 PRO A 12 13.572 -20.856 -6.003 1.00 4.01 H new ATOM 0 HB3 PRO A 12 12.314 -21.082 -7.203 1.00 4.01 H new ATOM 0 HG2 PRO A 12 14.859 -21.111 -7.965 1.00 41.14 H new ATOM 0 HG3 PRO A 12 13.669 -20.309 -8.971 1.00 41.14 H new ATOM 0 HD2 PRO A 12 15.737 -19.088 -7.155 1.00 60.14 H new ATOM 0 HD3 PRO A 12 15.125 -18.491 -8.684 1.00 60.14 H new ATOM 195 N ASP A 13 11.123 -18.081 -5.001 1.00 3.40 N ATOM 196 CA ASP A 13 10.640 -17.722 -3.667 1.00 65.35 C ATOM 197 C ASP A 13 9.860 -18.877 -3.010 1.00 20.21 C ATOM 198 O ASP A 13 9.923 -20.018 -3.464 1.00 62.34 O ATOM 199 CB ASP A 13 9.760 -16.480 -3.785 1.00 14.01 C ATOM 200 CG ASP A 13 8.614 -16.695 -4.759 1.00 64.03 C ATOM 201 OD1 ASP A 13 8.834 -16.541 -5.980 1.00 12.12 O ATOM 202 OD2 ASP A 13 7.509 -17.053 -4.312 1.00 42.31 O ATOM 0 H ASP A 13 10.534 -17.739 -5.760 1.00 3.40 H new ATOM 0 HA ASP A 13 11.497 -17.515 -3.026 1.00 65.35 H new ATOM 0 HB2 ASP A 13 9.361 -16.222 -2.804 1.00 14.01 H new ATOM 0 HB3 ASP A 13 10.365 -15.635 -4.115 1.00 14.01 H new ATOM 207 N HIS A 14 9.139 -18.579 -1.928 1.00 54.15 N ATOM 208 CA HIS A 14 8.322 -19.587 -1.238 1.00 24.21 C ATOM 209 C HIS A 14 6.835 -19.211 -1.262 1.00 62.34 C ATOM 210 O HIS A 14 6.284 -18.721 -0.273 1.00 12.42 O ATOM 211 CB HIS A 14 8.805 -19.791 0.206 1.00 15.44 C ATOM 212 CG HIS A 14 10.102 -20.533 0.298 1.00 2.33 C ATOM 213 ND1 HIS A 14 10.174 -21.901 0.433 1.00 64.45 N ATOM 214 CD2 HIS A 14 11.382 -20.096 0.261 1.00 60.42 C ATOM 215 CE1 HIS A 14 11.436 -22.273 0.473 1.00 32.34 C ATOM 216 NE2 HIS A 14 12.190 -21.198 0.371 1.00 34.02 N ATOM 0 H HIS A 14 9.102 -17.650 -1.509 1.00 54.15 H new ATOM 0 HA HIS A 14 8.439 -20.529 -1.774 1.00 24.21 H new ATOM 0 HB2 HIS A 14 8.916 -18.818 0.685 1.00 15.44 H new ATOM 0 HB3 HIS A 14 8.043 -20.336 0.763 1.00 15.44 H new ATOM 0 HD2 HIS A 14 11.707 -19.071 0.163 1.00 60.42 H new ATOM 0 HE1 HIS A 14 11.793 -23.288 0.573 1.00 32.34 H new ATOM 0 HE2 HIS A 14 13.210 -21.187 0.373 1.00 34.02 H new ATOM 225 N GLY A 15 6.205 -19.422 -2.413 1.00 43.14 N ATOM 226 CA GLY A 15 4.781 -19.155 -2.563 1.00 72.05 C ATOM 227 C GLY A 15 4.096 -20.182 -3.459 1.00 52.40 C ATOM 228 O GLY A 15 3.548 -21.171 -2.974 1.00 40.32 O ATOM 0 H GLY A 15 6.659 -19.777 -3.255 1.00 43.14 H new ATOM 0 HA2 GLY A 15 4.307 -19.157 -1.582 1.00 72.05 H new ATOM 0 HA3 GLY A 15 4.642 -18.159 -2.982 1.00 72.05 H new ATOM 232 N ASP A 16 4.161 -19.969 -4.771 1.00 35.23 N ATOM 233 CA ASP A 16 3.523 -20.868 -5.733 1.00 65.01 C ATOM 234 C ASP A 16 4.318 -22.178 -5.890 1.00 23.21 C ATOM 235 O ASP A 16 5.116 -22.338 -6.820 1.00 24.00 O ATOM 236 CB ASP A 16 3.366 -20.159 -7.084 1.00 12.54 C ATOM 237 CG ASP A 16 2.666 -21.024 -8.115 1.00 25.41 C ATOM 238 OD1 ASP A 16 1.442 -21.219 -8.000 1.00 73.15 O ATOM 239 OD2 ASP A 16 3.334 -21.505 -9.052 1.00 23.13 O ATOM 0 H ASP A 16 4.650 -19.180 -5.194 1.00 35.23 H new ATOM 0 HA ASP A 16 2.535 -21.131 -5.355 1.00 65.01 H new ATOM 0 HB2 ASP A 16 2.801 -19.237 -6.944 1.00 12.54 H new ATOM 0 HB3 ASP A 16 4.350 -19.876 -7.459 1.00 12.54 H new ATOM 244 N TRP A 17 4.123 -23.096 -4.946 1.00 61.42 N ATOM 245 CA TRP A 17 4.773 -24.416 -4.986 1.00 22.35 C ATOM 246 C TRP A 17 3.780 -25.534 -4.632 1.00 32.04 C ATOM 247 O TRP A 17 3.250 -26.213 -5.516 1.00 1.52 O ATOM 248 CB TRP A 17 5.983 -24.458 -4.031 1.00 32.25 C ATOM 249 CG TRP A 17 7.124 -23.570 -4.453 1.00 71.43 C ATOM 250 CD1 TRP A 17 7.267 -22.235 -4.202 1.00 65.55 C ATOM 251 CD2 TRP A 17 8.286 -23.963 -5.195 1.00 12.13 C ATOM 252 NE1 TRP A 17 8.436 -21.774 -4.755 1.00 31.13 N ATOM 253 CE2 TRP A 17 9.080 -22.815 -5.367 1.00 5.01 C ATOM 254 CE3 TRP A 17 8.729 -25.173 -5.735 1.00 12.14 C ATOM 255 CZ2 TRP A 17 10.291 -22.841 -6.052 1.00 4.12 C ATOM 256 CZ3 TRP A 17 9.933 -25.200 -6.414 1.00 2.34 C ATOM 257 CH2 TRP A 17 10.702 -24.040 -6.568 1.00 51.43 C ATOM 0 H TRP A 17 3.518 -22.954 -4.137 1.00 61.42 H new ATOM 0 HA TRP A 17 5.125 -24.581 -6.004 1.00 22.35 H new ATOM 0 HB2 TRP A 17 5.657 -24.164 -3.033 1.00 32.25 H new ATOM 0 HB3 TRP A 17 6.342 -25.485 -3.960 1.00 32.25 H new ATOM 0 HD1 TRP A 17 6.563 -21.630 -3.649 1.00 65.55 H new ATOM 0 HE1 TRP A 17 8.770 -20.811 -4.716 1.00 31.13 H new ATOM 0 HE3 TRP A 17 8.141 -26.072 -5.624 1.00 12.14 H new ATOM 0 HZ2 TRP A 17 10.885 -21.947 -6.172 1.00 4.12 H new ATOM 0 HZ3 TRP A 17 10.286 -26.131 -6.832 1.00 2.34 H new ATOM 0 HH2 TRP A 17 11.638 -24.093 -7.105 1.00 51.43 H new ATOM 268 N THR A 18 3.528 -25.719 -3.337 1.00 74.43 N ATOM 269 CA THR A 18 2.564 -26.724 -2.858 1.00 51.04 C ATOM 270 C THR A 18 1.273 -26.059 -2.361 1.00 51.34 C ATOM 271 O THR A 18 0.408 -26.707 -1.768 1.00 72.45 O ATOM 272 CB THR A 18 3.161 -27.574 -1.710 1.00 32.13 C ATOM 273 OG1 THR A 18 3.472 -26.739 -0.585 1.00 51.13 O ATOM 274 CG2 THR A 18 4.423 -28.303 -2.161 1.00 21.13 C ATOM 0 H THR A 18 3.978 -25.186 -2.593 1.00 74.43 H new ATOM 0 HA THR A 18 2.336 -27.372 -3.704 1.00 51.04 H new ATOM 0 HB THR A 18 2.415 -28.315 -1.423 1.00 32.13 H new ATOM 0 HG1 THR A 18 3.453 -25.799 -0.860 1.00 51.13 H new ATOM 0 HG21 THR A 18 4.819 -28.891 -1.333 1.00 21.13 H new ATOM 0 HG22 THR A 18 4.183 -28.964 -2.994 1.00 21.13 H new ATOM 0 HG23 THR A 18 5.170 -27.575 -2.479 1.00 21.13 H new ATOM 282 N TYR A 19 1.156 -24.759 -2.621 1.00 75.44 N ATOM 283 CA TYR A 19 0.014 -23.956 -2.176 1.00 21.43 C ATOM 284 C TYR A 19 -0.100 -22.670 -3.012 1.00 54.21 C ATOM 285 O TYR A 19 0.913 -22.100 -3.420 1.00 34.23 O ATOM 286 CB TYR A 19 0.156 -23.613 -0.678 1.00 32.15 C ATOM 287 CG TYR A 19 1.502 -22.997 -0.310 1.00 74.25 C ATOM 288 CD1 TYR A 19 2.595 -23.805 -0.003 1.00 34.32 C ATOM 289 CD2 TYR A 19 1.684 -21.615 -0.276 1.00 32.01 C ATOM 290 CE1 TYR A 19 3.820 -23.259 0.324 1.00 13.02 C ATOM 291 CE2 TYR A 19 2.910 -21.063 0.049 1.00 1.25 C ATOM 292 CZ TYR A 19 3.975 -21.891 0.346 1.00 3.53 C ATOM 293 OH TYR A 19 5.200 -21.348 0.669 1.00 72.04 O ATOM 0 H TYR A 19 1.851 -24.229 -3.147 1.00 75.44 H new ATOM 0 HA TYR A 19 -0.896 -24.539 -2.317 1.00 21.43 H new ATOM 0 HB2 TYR A 19 -0.638 -22.921 -0.397 1.00 32.15 H new ATOM 0 HB3 TYR A 19 0.010 -24.521 -0.092 1.00 32.15 H new ATOM 0 HD1 TYR A 19 2.482 -24.879 -0.021 1.00 34.32 H new ATOM 0 HD2 TYR A 19 0.854 -20.964 -0.507 1.00 32.01 H new ATOM 0 HE1 TYR A 19 4.654 -23.903 0.562 1.00 13.02 H new ATOM 0 HE2 TYR A 19 3.034 -19.990 0.070 1.00 1.25 H new ATOM 0 HH TYR A 19 5.216 -20.402 0.413 1.00 72.04 H new ATOM 303 N GLU A 20 -1.327 -22.229 -3.282 1.00 52.54 N ATOM 304 CA GLU A 20 -1.551 -20.989 -4.040 1.00 54.31 C ATOM 305 C GLU A 20 -2.877 -20.311 -3.643 1.00 53.15 C ATOM 306 O GLU A 20 -3.558 -20.757 -2.714 1.00 61.31 O ATOM 307 CB GLU A 20 -1.506 -21.265 -5.553 1.00 62.31 C ATOM 308 CG GLU A 20 -2.589 -22.212 -6.053 1.00 15.40 C ATOM 309 CD GLU A 20 -2.465 -22.509 -7.542 1.00 14.31 C ATOM 310 OE1 GLU A 20 -2.746 -21.614 -8.362 1.00 0.30 O ATOM 311 OE2 GLU A 20 -2.068 -23.639 -7.900 1.00 55.31 O ATOM 0 H GLU A 20 -2.181 -22.706 -2.991 1.00 52.54 H new ATOM 0 HA GLU A 20 -0.746 -20.298 -3.791 1.00 54.31 H new ATOM 0 HB2 GLU A 20 -1.595 -20.318 -6.085 1.00 62.31 H new ATOM 0 HB3 GLU A 20 -0.531 -21.682 -5.805 1.00 62.31 H new ATOM 0 HG2 GLU A 20 -2.536 -23.146 -5.494 1.00 15.40 H new ATOM 0 HG3 GLU A 20 -3.568 -21.776 -5.853 1.00 15.40 H new ATOM 318 N GLU A 21 -3.237 -19.239 -4.358 1.00 23.24 N ATOM 319 CA GLU A 21 -4.367 -18.375 -3.977 1.00 55.20 C ATOM 320 C GLU A 21 -4.188 -17.785 -2.566 1.00 72.13 C ATOM 321 O GLU A 21 -3.129 -17.915 -1.949 1.00 4.01 O ATOM 322 CB GLU A 21 -5.712 -19.124 -4.073 1.00 61.43 C ATOM 323 CG GLU A 21 -6.339 -19.128 -5.467 1.00 74.22 C ATOM 324 CD GLU A 21 -5.516 -19.886 -6.495 1.00 45.44 C ATOM 325 OE1 GLU A 21 -5.701 -21.119 -6.611 1.00 43.32 O ATOM 326 OE2 GLU A 21 -4.696 -19.252 -7.195 1.00 22.23 O ATOM 0 H GLU A 21 -2.760 -18.945 -5.210 1.00 23.24 H new ATOM 0 HA GLU A 21 -4.381 -17.550 -4.690 1.00 55.20 H new ATOM 0 HB2 GLU A 21 -5.562 -20.155 -3.753 1.00 61.43 H new ATOM 0 HB3 GLU A 21 -6.415 -18.672 -3.374 1.00 61.43 H new ATOM 0 HG2 GLU A 21 -7.333 -19.572 -5.409 1.00 74.22 H new ATOM 0 HG3 GLU A 21 -6.468 -18.099 -5.803 1.00 74.22 H new ATOM 333 N GLN A 22 -5.224 -17.113 -2.075 1.00 15.42 N ATOM 334 CA GLN A 22 -5.212 -16.550 -0.724 1.00 4.40 C ATOM 335 C GLN A 22 -5.002 -17.649 0.331 1.00 30.54 C ATOM 336 O GLN A 22 -5.938 -18.366 0.688 1.00 33.44 O ATOM 337 CB GLN A 22 -6.532 -15.818 -0.448 1.00 45.02 C ATOM 338 CG GLN A 22 -6.601 -15.164 0.928 1.00 73.03 C ATOM 339 CD GLN A 22 -8.004 -14.706 1.285 1.00 52.00 C ATOM 340 OE1 GLN A 22 -8.403 -13.585 0.988 1.00 41.10 O ATOM 341 NE2 GLN A 22 -8.766 -15.574 1.918 1.00 64.31 N ATOM 0 H GLN A 22 -6.087 -16.943 -2.592 1.00 15.42 H new ATOM 0 HA GLN A 22 -4.383 -15.845 -0.659 1.00 4.40 H new ATOM 0 HB2 GLN A 22 -6.678 -15.053 -1.211 1.00 45.02 H new ATOM 0 HB3 GLN A 22 -7.355 -16.526 -0.545 1.00 45.02 H new ATOM 0 HG2 GLN A 22 -6.251 -15.871 1.680 1.00 73.03 H new ATOM 0 HG3 GLN A 22 -5.925 -14.309 0.955 1.00 73.03 H new ATOM 0 HE21 GLN A 22 -8.402 -16.498 2.150 1.00 64.31 H new ATOM 0 HE22 GLN A 22 -9.720 -15.322 2.176 1.00 64.31 H new ATOM 350 N PHE A 23 -3.770 -17.806 0.801 1.00 41.12 N ATOM 351 CA PHE A 23 -3.476 -18.786 1.850 1.00 42.13 C ATOM 352 C PHE A 23 -3.655 -18.188 3.261 1.00 20.31 C ATOM 353 O PHE A 23 -3.480 -16.984 3.477 1.00 52.13 O ATOM 354 CB PHE A 23 -2.071 -19.396 1.663 1.00 65.44 C ATOM 355 CG PHE A 23 -0.987 -18.412 1.291 1.00 44.22 C ATOM 356 CD1 PHE A 23 -0.410 -17.594 2.249 1.00 51.12 C ATOM 357 CD2 PHE A 23 -0.531 -18.325 -0.018 1.00 2.55 C ATOM 358 CE1 PHE A 23 0.598 -16.711 1.911 1.00 65.43 C ATOM 359 CE2 PHE A 23 0.472 -17.440 -0.362 1.00 32.41 C ATOM 360 CZ PHE A 23 1.039 -16.633 0.604 1.00 42.21 C ATOM 0 H PHE A 23 -2.962 -17.274 0.478 1.00 41.12 H new ATOM 0 HA PHE A 23 -4.202 -19.594 1.755 1.00 42.13 H new ATOM 0 HB2 PHE A 23 -1.784 -19.896 2.588 1.00 65.44 H new ATOM 0 HB3 PHE A 23 -2.125 -20.162 0.890 1.00 65.44 H new ATOM 0 HD1 PHE A 23 -0.752 -17.647 3.272 1.00 51.12 H new ATOM 0 HD2 PHE A 23 -0.967 -18.958 -0.777 1.00 2.55 H new ATOM 0 HE1 PHE A 23 1.041 -16.082 2.669 1.00 65.43 H new ATOM 0 HE2 PHE A 23 0.812 -17.379 -1.385 1.00 32.41 H new ATOM 0 HZ PHE A 23 1.826 -15.942 0.339 1.00 42.21 H new ATOM 370 N LYS A 24 -3.987 -19.060 4.216 1.00 34.24 N ATOM 371 CA LYS A 24 -4.406 -18.661 5.572 1.00 24.31 C ATOM 372 C LYS A 24 -3.369 -17.778 6.298 1.00 22.40 C ATOM 373 O LYS A 24 -3.700 -17.083 7.268 1.00 45.24 O ATOM 374 CB LYS A 24 -4.689 -19.924 6.400 1.00 34.43 C ATOM 375 CG LYS A 24 -5.292 -19.658 7.777 1.00 75.42 C ATOM 376 CD LYS A 24 -6.697 -19.069 7.686 1.00 43.30 C ATOM 377 CE LYS A 24 -7.336 -18.924 9.064 1.00 14.22 C ATOM 378 NZ LYS A 24 -7.424 -20.229 9.781 1.00 35.24 N ATOM 0 H LYS A 24 -3.974 -20.070 4.075 1.00 34.24 H new ATOM 0 HA LYS A 24 -5.306 -18.054 5.468 1.00 24.31 H new ATOM 0 HB2 LYS A 24 -5.367 -20.566 5.839 1.00 34.43 H new ATOM 0 HB3 LYS A 24 -3.758 -20.476 6.526 1.00 34.43 H new ATOM 0 HG2 LYS A 24 -5.326 -20.589 8.343 1.00 75.42 H new ATOM 0 HG3 LYS A 24 -4.648 -18.973 8.328 1.00 75.42 H new ATOM 0 HD2 LYS A 24 -6.653 -18.094 7.201 1.00 43.30 H new ATOM 0 HD3 LYS A 24 -7.320 -19.708 7.061 1.00 43.30 H new ATOM 0 HE2 LYS A 24 -6.754 -18.221 9.661 1.00 14.22 H new ATOM 0 HE3 LYS A 24 -8.335 -18.501 8.957 1.00 14.22 H new ATOM 0 HZ1 LYS A 24 -8.092 -20.145 10.574 1.00 35.24 H new ATOM 0 HZ2 LYS A 24 -7.757 -20.964 9.125 1.00 35.24 H new ATOM 0 HZ3 LYS A 24 -6.485 -20.489 10.145 1.00 35.24 H new ATOM 392 N GLN A 25 -2.126 -17.791 5.817 1.00 12.32 N ATOM 393 CA GLN A 25 -1.034 -17.041 6.449 1.00 25.24 C ATOM 394 C GLN A 25 -1.412 -15.573 6.710 1.00 12.44 C ATOM 395 O GLN A 25 -1.086 -15.026 7.764 1.00 75.32 O ATOM 396 CB GLN A 25 0.224 -17.104 5.568 1.00 34.15 C ATOM 397 CG GLN A 25 1.427 -16.342 6.125 1.00 72.31 C ATOM 398 CD GLN A 25 1.934 -16.911 7.440 1.00 2.23 C ATOM 399 OE1 GLN A 25 2.794 -17.785 7.461 1.00 12.45 O ATOM 400 NE2 GLN A 25 1.406 -16.425 8.545 1.00 71.35 N ATOM 0 H GLN A 25 -1.847 -18.315 4.988 1.00 12.32 H new ATOM 0 HA GLN A 25 -0.836 -17.507 7.414 1.00 25.24 H new ATOM 0 HB2 GLN A 25 0.504 -18.148 5.430 1.00 34.15 H new ATOM 0 HB3 GLN A 25 -0.018 -16.706 4.582 1.00 34.15 H new ATOM 0 HG2 GLN A 25 2.234 -16.362 5.392 1.00 72.31 H new ATOM 0 HG3 GLN A 25 1.153 -15.297 6.269 1.00 72.31 H new ATOM 0 HE21 GLN A 25 0.692 -15.698 8.492 1.00 71.35 H new ATOM 0 HE22 GLN A 25 1.711 -16.776 9.453 1.00 71.35 H new ATOM 409 N LEU A 26 -2.113 -14.941 5.761 1.00 14.03 N ATOM 410 CA LEU A 26 -2.505 -13.530 5.911 1.00 31.05 C ATOM 411 C LEU A 26 -3.337 -13.290 7.179 1.00 1.32 C ATOM 412 O LEU A 26 -3.198 -12.258 7.833 1.00 43.10 O ATOM 413 CB LEU A 26 -3.284 -13.032 4.686 1.00 24.35 C ATOM 414 CG LEU A 26 -2.468 -12.882 3.392 1.00 34.02 C ATOM 415 CD1 LEU A 26 -3.311 -12.226 2.301 1.00 2.31 C ATOM 416 CD2 LEU A 26 -1.185 -12.082 3.637 1.00 54.31 C ATOM 0 H LEU A 26 -2.419 -15.376 4.890 1.00 14.03 H new ATOM 0 HA LEU A 26 -1.577 -12.964 5.999 1.00 31.05 H new ATOM 0 HB2 LEU A 26 -4.107 -13.721 4.497 1.00 24.35 H new ATOM 0 HB3 LEU A 26 -3.727 -12.066 4.928 1.00 24.35 H new ATOM 0 HG LEU A 26 -2.182 -13.879 3.057 1.00 34.02 H new ATOM 0 HD11 LEU A 26 -2.717 -12.128 1.392 1.00 2.31 H new ATOM 0 HD12 LEU A 26 -4.187 -12.843 2.098 1.00 2.31 H new ATOM 0 HD13 LEU A 26 -3.632 -11.239 2.633 1.00 2.31 H new ATOM 0 HD21 LEU A 26 -0.628 -11.992 2.704 1.00 54.31 H new ATOM 0 HD22 LEU A 26 -1.441 -11.088 4.004 1.00 54.31 H new ATOM 0 HD23 LEU A 26 -0.572 -12.596 4.377 1.00 54.31 H new ATOM 428 N TYR A 27 -4.202 -14.240 7.521 1.00 51.21 N ATOM 429 CA TYR A 27 -5.037 -14.129 8.721 1.00 24.40 C ATOM 430 C TYR A 27 -4.209 -14.359 9.993 1.00 3.30 C ATOM 431 O TYR A 27 -4.423 -13.706 11.019 1.00 2.35 O ATOM 432 CB TYR A 27 -6.185 -15.147 8.666 1.00 45.21 C ATOM 433 CG TYR A 27 -7.122 -14.975 7.481 1.00 23.32 C ATOM 434 CD1 TYR A 27 -6.811 -15.508 6.235 1.00 54.21 C ATOM 435 CD2 TYR A 27 -8.326 -14.288 7.615 1.00 14.13 C ATOM 436 CE1 TYR A 27 -7.667 -15.363 5.159 1.00 4.14 C ATOM 437 CE2 TYR A 27 -9.188 -14.143 6.544 1.00 44.03 C ATOM 438 CZ TYR A 27 -8.855 -14.682 5.318 1.00 22.04 C ATOM 439 OH TYR A 27 -9.714 -14.544 4.250 1.00 71.21 O ATOM 0 H TYR A 27 -4.346 -15.097 6.987 1.00 51.21 H new ATOM 0 HA TYR A 27 -5.447 -13.120 8.750 1.00 24.40 H new ATOM 0 HB2 TYR A 27 -5.762 -16.151 8.636 1.00 45.21 H new ATOM 0 HB3 TYR A 27 -6.765 -15.072 9.586 1.00 45.21 H new ATOM 0 HD1 TYR A 27 -5.883 -16.045 6.105 1.00 54.21 H new ATOM 0 HD2 TYR A 27 -8.591 -13.862 8.571 1.00 14.13 H new ATOM 0 HE1 TYR A 27 -7.406 -15.781 4.198 1.00 4.14 H new ATOM 0 HE2 TYR A 27 -10.119 -13.610 6.666 1.00 44.03 H new ATOM 0 HH TYR A 27 -10.506 -14.039 4.530 1.00 71.21 H new ATOM 449 N GLU A 28 -3.250 -15.282 9.910 1.00 45.51 N ATOM 450 CA GLU A 28 -2.448 -15.687 11.075 1.00 75.45 C ATOM 451 C GLU A 28 -1.191 -14.811 11.268 1.00 65.13 C ATOM 452 O GLU A 28 -0.369 -15.087 12.146 1.00 3.15 O ATOM 453 CB GLU A 28 -2.046 -17.165 10.936 1.00 64.24 C ATOM 454 CG GLU A 28 -3.229 -18.098 10.688 1.00 2.22 C ATOM 455 CD GLU A 28 -2.830 -19.568 10.638 1.00 4.20 C ATOM 456 OE1 GLU A 28 -2.102 -19.961 9.702 1.00 45.43 O ATOM 457 OE2 GLU A 28 -3.260 -20.339 11.525 1.00 4.22 O ATOM 0 H GLU A 28 -3.006 -15.767 9.047 1.00 45.51 H new ATOM 0 HA GLU A 28 -3.068 -15.548 11.961 1.00 75.45 H new ATOM 0 HB2 GLU A 28 -1.337 -17.265 10.114 1.00 64.24 H new ATOM 0 HB3 GLU A 28 -1.529 -17.480 11.843 1.00 64.24 H new ATOM 0 HG2 GLU A 28 -3.968 -17.955 11.476 1.00 2.22 H new ATOM 0 HG3 GLU A 28 -3.708 -17.825 9.748 1.00 2.22 H new ATOM 464 N LEU A 29 -1.044 -13.755 10.461 1.00 72.54 N ATOM 465 CA LEU A 29 0.108 -12.845 10.585 1.00 3.31 C ATOM 466 C LEU A 29 0.091 -12.081 11.921 1.00 25.54 C ATOM 467 O LEU A 29 1.087 -12.055 12.645 1.00 62.11 O ATOM 468 CB LEU A 29 0.144 -11.844 9.417 1.00 22.45 C ATOM 469 CG LEU A 29 0.519 -12.432 8.046 1.00 32.03 C ATOM 470 CD1 LEU A 29 0.383 -11.377 6.951 1.00 74.12 C ATOM 471 CD2 LEU A 29 1.937 -13.000 8.065 1.00 12.11 C ATOM 0 H LEU A 29 -1.700 -13.508 9.720 1.00 72.54 H new ATOM 0 HA LEU A 29 1.006 -13.462 10.556 1.00 3.31 H new ATOM 0 HB2 LEU A 29 -0.836 -11.375 9.335 1.00 22.45 H new ATOM 0 HB3 LEU A 29 0.856 -11.055 9.660 1.00 22.45 H new ATOM 0 HG LEU A 29 -0.172 -13.247 7.829 1.00 32.03 H new ATOM 0 HD11 LEU A 29 0.653 -11.814 5.989 1.00 74.12 H new ATOM 0 HD12 LEU A 29 -0.647 -11.023 6.912 1.00 74.12 H new ATOM 0 HD13 LEU A 29 1.046 -10.540 7.168 1.00 74.12 H new ATOM 0 HD21 LEU A 29 2.178 -13.410 7.084 1.00 12.11 H new ATOM 0 HD22 LEU A 29 2.643 -12.207 8.311 1.00 12.11 H new ATOM 0 HD23 LEU A 29 2.003 -13.789 8.814 1.00 12.11 H new ATOM 483 N ASP A 30 -1.046 -11.457 12.239 1.00 13.22 N ATOM 484 CA ASP A 30 -1.175 -10.652 13.465 1.00 73.13 C ATOM 485 C ASP A 30 -2.135 -11.290 14.490 1.00 34.21 C ATOM 486 O ASP A 30 -1.885 -11.243 15.697 1.00 45.42 O ATOM 487 CB ASP A 30 -1.632 -9.235 13.105 1.00 62.43 C ATOM 488 CG ASP A 30 -0.596 -8.502 12.266 1.00 4.15 C ATOM 489 OD1 ASP A 30 -0.606 -8.658 11.026 1.00 41.13 O ATOM 490 OD2 ASP A 30 0.242 -7.785 12.844 1.00 33.13 O ATOM 0 H ASP A 30 -1.891 -11.491 11.669 1.00 13.22 H new ATOM 0 HA ASP A 30 -0.195 -10.610 13.940 1.00 73.13 H new ATOM 0 HB2 ASP A 30 -2.573 -9.285 12.558 1.00 62.43 H new ATOM 0 HB3 ASP A 30 -1.824 -8.672 14.018 1.00 62.43 H new ATOM 495 N GLY A 31 -3.232 -11.874 14.013 1.00 34.04 N ATOM 496 CA GLY A 31 -4.144 -12.604 14.899 1.00 61.03 C ATOM 497 C GLY A 31 -5.239 -11.748 15.548 1.00 52.24 C ATOM 498 O GLY A 31 -6.192 -12.291 16.108 1.00 72.25 O ATOM 0 H GLY A 31 -3.511 -11.859 13.032 1.00 34.04 H new ATOM 0 HA2 GLY A 31 -4.618 -13.403 14.329 1.00 61.03 H new ATOM 0 HA3 GLY A 31 -3.559 -13.078 15.687 1.00 61.03 H new ATOM 502 N ASP A 32 -5.111 -10.422 15.483 1.00 61.42 N ATOM 503 CA ASP A 32 -6.102 -9.504 16.076 1.00 3.44 C ATOM 504 C ASP A 32 -7.548 -9.797 15.624 1.00 1.52 C ATOM 505 O ASP A 32 -7.785 -10.222 14.491 1.00 14.30 O ATOM 506 CB ASP A 32 -5.746 -8.054 15.716 1.00 34.13 C ATOM 507 CG ASP A 32 -4.527 -7.557 16.465 1.00 1.30 C ATOM 508 OD1 ASP A 32 -3.398 -7.926 16.089 1.00 42.53 O ATOM 509 OD2 ASP A 32 -4.701 -6.803 17.445 1.00 3.34 O ATOM 0 H ASP A 32 -4.330 -9.952 15.025 1.00 61.42 H new ATOM 0 HA ASP A 32 -6.063 -9.657 17.154 1.00 3.44 H new ATOM 0 HB2 ASP A 32 -5.564 -7.983 14.644 1.00 34.13 H new ATOM 0 HB3 ASP A 32 -6.595 -7.408 15.939 1.00 34.13 H new ATOM 514 N PRO A 33 -8.543 -9.556 16.504 1.00 21.11 N ATOM 515 CA PRO A 33 -9.967 -9.662 16.133 1.00 20.14 C ATOM 516 C PRO A 33 -10.343 -8.693 14.995 1.00 52.52 C ATOM 517 O PRO A 33 -11.284 -8.933 14.242 1.00 63.25 O ATOM 518 CB PRO A 33 -10.711 -9.309 17.433 1.00 72.40 C ATOM 519 CG PRO A 33 -9.704 -8.604 18.285 1.00 53.43 C ATOM 520 CD PRO A 33 -8.369 -9.193 17.924 1.00 4.22 C ATOM 0 HA PRO A 33 -10.220 -10.651 15.752 1.00 20.14 H new ATOM 0 HB2 PRO A 33 -11.572 -8.671 17.233 1.00 72.40 H new ATOM 0 HB3 PRO A 33 -11.086 -10.205 17.927 1.00 72.40 H new ATOM 0 HG2 PRO A 33 -9.719 -7.530 18.099 1.00 53.43 H new ATOM 0 HG3 PRO A 33 -9.920 -8.747 19.344 1.00 53.43 H new ATOM 0 HD2 PRO A 33 -7.560 -8.475 18.062 1.00 4.22 H new ATOM 0 HD3 PRO A 33 -8.132 -10.062 18.537 1.00 4.22 H new ATOM 528 N LYS A 34 -9.588 -7.601 14.875 1.00 74.11 N ATOM 529 CA LYS A 34 -9.753 -6.650 13.765 1.00 54.11 C ATOM 530 C LYS A 34 -9.034 -7.131 12.495 1.00 70.41 C ATOM 531 O LYS A 34 -9.269 -6.615 11.406 1.00 70.25 O ATOM 532 CB LYS A 34 -9.195 -5.274 14.158 1.00 52.31 C ATOM 533 CG LYS A 34 -10.027 -4.522 15.188 1.00 52.41 C ATOM 534 CD LYS A 34 -11.398 -4.139 14.638 1.00 44.23 C ATOM 535 CE LYS A 34 -12.118 -3.156 15.553 1.00 4.11 C ATOM 536 NZ LYS A 34 -11.386 -1.865 15.671 1.00 71.24 N ATOM 0 H LYS A 34 -8.852 -7.348 15.534 1.00 74.11 H new ATOM 0 HA LYS A 34 -10.821 -6.578 13.557 1.00 54.11 H new ATOM 0 HB2 LYS A 34 -8.186 -5.404 14.550 1.00 52.31 H new ATOM 0 HB3 LYS A 34 -9.111 -4.661 13.261 1.00 52.31 H new ATOM 0 HG2 LYS A 34 -10.152 -5.141 16.077 1.00 52.41 H new ATOM 0 HG3 LYS A 34 -9.495 -3.622 15.498 1.00 52.41 H new ATOM 0 HD2 LYS A 34 -11.283 -3.697 13.648 1.00 44.23 H new ATOM 0 HD3 LYS A 34 -12.005 -5.036 14.518 1.00 44.23 H new ATOM 0 HE2 LYS A 34 -13.121 -2.970 15.168 1.00 4.11 H new ATOM 0 HE3 LYS A 34 -12.233 -3.599 16.542 1.00 4.11 H new ATOM 0 HZ1 LYS A 34 -12.038 -1.125 16.003 1.00 71.24 H new ATOM 0 HZ2 LYS A 34 -10.606 -1.969 16.351 1.00 71.24 H new ATOM 0 HZ3 LYS A 34 -11.003 -1.597 14.742 1.00 71.24 H new ATOM 550 N ARG A 35 -8.156 -8.121 12.642 1.00 5.35 N ATOM 551 CA ARG A 35 -7.298 -8.563 11.541 1.00 75.12 C ATOM 552 C ARG A 35 -8.104 -9.226 10.413 1.00 55.52 C ATOM 553 O ARG A 35 -8.041 -8.794 9.262 1.00 63.53 O ATOM 554 CB ARG A 35 -6.221 -9.521 12.069 1.00 51.43 C ATOM 555 CG ARG A 35 -5.111 -9.827 11.073 1.00 44.24 C ATOM 556 CD ARG A 35 -4.518 -8.548 10.486 1.00 22.20 C ATOM 557 NE ARG A 35 -3.153 -8.741 10.020 1.00 21.32 N ATOM 558 CZ ARG A 35 -2.821 -9.296 8.892 1.00 64.20 C ATOM 559 NH1 ARG A 35 -3.724 -9.707 8.061 1.00 30.45 N ATOM 560 NH2 ARG A 35 -1.572 -9.429 8.596 1.00 11.41 N ATOM 0 H ARG A 35 -8.019 -8.634 13.513 1.00 5.35 H new ATOM 0 HA ARG A 35 -6.819 -7.680 11.117 1.00 75.12 H new ATOM 0 HB2 ARG A 35 -5.778 -9.091 12.968 1.00 51.43 H new ATOM 0 HB3 ARG A 35 -6.697 -10.456 12.364 1.00 51.43 H new ATOM 0 HG2 ARG A 35 -4.326 -10.400 11.566 1.00 44.24 H new ATOM 0 HG3 ARG A 35 -5.503 -10.450 10.269 1.00 44.24 H new ATOM 0 HD2 ARG A 35 -5.139 -8.208 9.657 1.00 22.20 H new ATOM 0 HD3 ARG A 35 -4.535 -7.761 11.240 1.00 22.20 H new ATOM 0 HE ARG A 35 -2.399 -8.416 10.625 1.00 21.32 H new ATOM 0 HH11 ARG A 35 -4.713 -9.598 8.287 1.00 30.45 H new ATOM 0 HH12 ARG A 35 -3.447 -10.140 7.180 1.00 30.45 H new ATOM 0 HH21 ARG A 35 -0.856 -9.100 9.244 1.00 11.41 H new ATOM 0 HH22 ARG A 35 -1.300 -9.863 7.714 1.00 11.41 H new ATOM 574 N LYS A 36 -8.858 -10.273 10.746 1.00 33.22 N ATOM 575 CA LYS A 36 -9.684 -10.968 9.749 1.00 43.14 C ATOM 576 C LYS A 36 -10.783 -10.045 9.188 1.00 14.12 C ATOM 577 O LYS A 36 -11.195 -10.187 8.037 1.00 64.04 O ATOM 578 CB LYS A 36 -10.298 -12.266 10.327 1.00 34.22 C ATOM 579 CG LYS A 36 -11.434 -12.069 11.340 1.00 14.11 C ATOM 580 CD LYS A 36 -10.954 -11.492 12.670 1.00 34.53 C ATOM 581 CE LYS A 36 -9.988 -12.426 13.398 1.00 35.32 C ATOM 582 NZ LYS A 36 -10.619 -13.717 13.783 1.00 30.03 N ATOM 0 H LYS A 36 -8.917 -10.659 11.688 1.00 33.22 H new ATOM 0 HA LYS A 36 -9.028 -11.248 8.925 1.00 43.14 H new ATOM 0 HB2 LYS A 36 -10.673 -12.869 9.500 1.00 34.22 H new ATOM 0 HB3 LYS A 36 -9.505 -12.840 10.805 1.00 34.22 H new ATOM 0 HG2 LYS A 36 -12.184 -11.404 10.912 1.00 14.11 H new ATOM 0 HG3 LYS A 36 -11.922 -13.027 11.521 1.00 14.11 H new ATOM 0 HD2 LYS A 36 -10.464 -10.535 12.491 1.00 34.53 H new ATOM 0 HD3 LYS A 36 -11.815 -11.295 13.309 1.00 34.53 H new ATOM 0 HE2 LYS A 36 -9.128 -12.623 12.758 1.00 35.32 H new ATOM 0 HE3 LYS A 36 -9.613 -11.929 14.292 1.00 35.32 H new ATOM 0 HZ1 LYS A 36 -9.967 -14.255 14.389 1.00 30.03 H new ATOM 0 HZ2 LYS A 36 -11.500 -13.531 14.303 1.00 30.03 H new ATOM 0 HZ3 LYS A 36 -10.831 -14.268 12.927 1.00 30.03 H new ATOM 596 N GLU A 37 -11.237 -9.085 10.002 1.00 54.50 N ATOM 597 CA GLU A 37 -12.245 -8.107 9.563 1.00 40.35 C ATOM 598 C GLU A 37 -11.655 -7.140 8.524 1.00 54.12 C ATOM 599 O GLU A 37 -12.197 -6.980 7.431 1.00 3.44 O ATOM 600 CB GLU A 37 -12.792 -7.312 10.762 1.00 53.22 C ATOM 601 CG GLU A 37 -13.405 -8.182 11.854 1.00 10.42 C ATOM 602 CD GLU A 37 -14.150 -7.372 12.907 1.00 5.24 C ATOM 603 OE1 GLU A 37 -13.520 -6.536 13.583 1.00 34.11 O ATOM 604 OE2 GLU A 37 -15.378 -7.559 13.056 1.00 3.51 O ATOM 0 H GLU A 37 -10.925 -8.963 10.965 1.00 54.50 H new ATOM 0 HA GLU A 37 -13.064 -8.659 9.102 1.00 40.35 H new ATOM 0 HB2 GLU A 37 -11.983 -6.722 11.193 1.00 53.22 H new ATOM 0 HB3 GLU A 37 -13.545 -6.609 10.406 1.00 53.22 H new ATOM 0 HG2 GLU A 37 -14.091 -8.897 11.400 1.00 10.42 H new ATOM 0 HG3 GLU A 37 -12.617 -8.759 12.337 1.00 10.42 H new ATOM 611 N PHE A 38 -10.534 -6.507 8.876 1.00 45.53 N ATOM 612 CA PHE A 38 -9.832 -5.589 7.966 1.00 21.34 C ATOM 613 C PHE A 38 -9.526 -6.270 6.624 1.00 32.01 C ATOM 614 O PHE A 38 -9.680 -5.669 5.560 1.00 65.01 O ATOM 615 CB PHE A 38 -8.528 -5.095 8.613 1.00 52.44 C ATOM 616 CG PHE A 38 -7.743 -4.124 7.758 1.00 54.14 C ATOM 617 CD1 PHE A 38 -7.997 -2.760 7.820 1.00 2.40 C ATOM 618 CD2 PHE A 38 -6.753 -4.576 6.894 1.00 15.11 C ATOM 619 CE1 PHE A 38 -7.280 -1.872 7.041 1.00 33.42 C ATOM 620 CE2 PHE A 38 -6.033 -3.691 6.115 1.00 64.23 C ATOM 621 CZ PHE A 38 -6.297 -2.337 6.188 1.00 42.22 C ATOM 0 H PHE A 38 -10.089 -6.612 9.788 1.00 45.53 H new ATOM 0 HA PHE A 38 -10.484 -4.736 7.777 1.00 21.34 H new ATOM 0 HB2 PHE A 38 -8.765 -4.616 9.563 1.00 52.44 H new ATOM 0 HB3 PHE A 38 -7.898 -5.956 8.838 1.00 52.44 H new ATOM 0 HD1 PHE A 38 -8.763 -2.389 8.484 1.00 2.40 H new ATOM 0 HD2 PHE A 38 -6.544 -5.634 6.831 1.00 15.11 H new ATOM 0 HE1 PHE A 38 -7.488 -0.814 7.099 1.00 33.42 H new ATOM 0 HE2 PHE A 38 -5.265 -4.057 5.450 1.00 64.23 H new ATOM 0 HZ PHE A 38 -5.736 -1.643 5.580 1.00 42.22 H new ATOM 631 N LEU A 39 -9.084 -7.525 6.688 1.00 33.40 N ATOM 632 CA LEU A 39 -8.823 -8.314 5.481 1.00 23.11 C ATOM 633 C LEU A 39 -10.098 -8.501 4.649 1.00 41.00 C ATOM 634 O LEU A 39 -10.103 -8.249 3.445 1.00 61.44 O ATOM 635 CB LEU A 39 -8.232 -9.683 5.848 1.00 23.25 C ATOM 636 CG LEU A 39 -6.834 -9.650 6.488 1.00 41.23 C ATOM 637 CD1 LEU A 39 -6.364 -11.061 6.829 1.00 22.23 C ATOM 638 CD2 LEU A 39 -5.831 -8.951 5.570 1.00 12.52 C ATOM 0 H LEU A 39 -8.899 -8.019 7.561 1.00 33.40 H new ATOM 0 HA LEU A 39 -8.100 -7.764 4.879 1.00 23.11 H new ATOM 0 HB2 LEU A 39 -8.915 -10.182 6.535 1.00 23.25 H new ATOM 0 HB3 LEU A 39 -8.185 -10.293 4.946 1.00 23.25 H new ATOM 0 HG LEU A 39 -6.898 -9.079 7.414 1.00 41.23 H new ATOM 0 HD11 LEU A 39 -5.373 -11.015 7.281 1.00 22.23 H new ATOM 0 HD12 LEU A 39 -7.062 -11.517 7.531 1.00 22.23 H new ATOM 0 HD13 LEU A 39 -6.321 -11.660 5.919 1.00 22.23 H new ATOM 0 HD21 LEU A 39 -4.850 -8.940 6.044 1.00 12.52 H new ATOM 0 HD22 LEU A 39 -5.770 -9.487 4.623 1.00 12.52 H new ATOM 0 HD23 LEU A 39 -6.157 -7.927 5.387 1.00 12.52 H new ATOM 650 N ASP A 40 -11.178 -8.935 5.297 1.00 64.12 N ATOM 651 CA ASP A 40 -12.454 -9.154 4.609 1.00 54.21 C ATOM 652 C ASP A 40 -12.940 -7.873 3.906 1.00 64.33 C ATOM 653 O ASP A 40 -13.294 -7.901 2.725 1.00 32.51 O ATOM 654 CB ASP A 40 -13.508 -9.655 5.602 1.00 61.20 C ATOM 655 CG ASP A 40 -14.836 -9.967 4.932 1.00 34.42 C ATOM 656 OD1 ASP A 40 -14.924 -11.000 4.234 1.00 13.11 O ATOM 657 OD2 ASP A 40 -15.796 -9.186 5.103 1.00 42.31 O ATOM 0 H ASP A 40 -11.197 -9.142 6.296 1.00 64.12 H new ATOM 0 HA ASP A 40 -12.300 -9.913 3.842 1.00 54.21 H new ATOM 0 HB2 ASP A 40 -13.137 -10.551 6.100 1.00 61.20 H new ATOM 0 HB3 ASP A 40 -13.662 -8.901 6.374 1.00 61.20 H new ATOM 662 N ASP A 41 -12.947 -6.753 4.631 1.00 72.21 N ATOM 663 CA ASP A 41 -13.333 -5.458 4.053 1.00 64.44 C ATOM 664 C ASP A 41 -12.413 -5.071 2.883 1.00 4.43 C ATOM 665 O ASP A 41 -12.880 -4.618 1.836 1.00 23.14 O ATOM 666 CB ASP A 41 -13.301 -4.357 5.121 1.00 64.24 C ATOM 667 CG ASP A 41 -14.363 -4.546 6.191 1.00 60.50 C ATOM 668 OD1 ASP A 41 -15.545 -4.720 5.834 1.00 0.31 O ATOM 669 OD2 ASP A 41 -14.023 -4.508 7.392 1.00 61.13 O ATOM 0 H ASP A 41 -12.691 -6.713 5.618 1.00 72.21 H new ATOM 0 HA ASP A 41 -14.350 -5.560 3.674 1.00 64.44 H new ATOM 0 HB2 ASP A 41 -12.317 -4.340 5.590 1.00 64.24 H new ATOM 0 HB3 ASP A 41 -13.442 -3.388 4.642 1.00 64.24 H new ATOM 674 N LEU A 42 -11.107 -5.257 3.069 1.00 72.15 N ATOM 675 CA LEU A 42 -10.114 -4.953 2.029 1.00 42.22 C ATOM 676 C LEU A 42 -10.379 -5.753 0.742 1.00 72.13 C ATOM 677 O LEU A 42 -10.607 -5.177 -0.324 1.00 51.44 O ATOM 678 CB LEU A 42 -8.700 -5.261 2.550 1.00 51.45 C ATOM 679 CG LEU A 42 -7.560 -5.099 1.528 1.00 72.51 C ATOM 680 CD1 LEU A 42 -7.431 -3.647 1.076 1.00 50.02 C ATOM 681 CD2 LEU A 42 -6.243 -5.614 2.106 1.00 15.22 C ATOM 0 H LEU A 42 -10.706 -5.619 3.934 1.00 72.15 H new ATOM 0 HA LEU A 42 -10.196 -3.893 1.789 1.00 42.22 H new ATOM 0 HB2 LEU A 42 -8.496 -4.609 3.400 1.00 51.45 H new ATOM 0 HB3 LEU A 42 -8.686 -6.285 2.923 1.00 51.45 H new ATOM 0 HG LEU A 42 -7.803 -5.698 0.650 1.00 72.51 H new ATOM 0 HD11 LEU A 42 -6.618 -3.561 0.355 1.00 50.02 H new ATOM 0 HD12 LEU A 42 -8.364 -3.326 0.612 1.00 50.02 H new ATOM 0 HD13 LEU A 42 -7.219 -3.015 1.938 1.00 50.02 H new ATOM 0 HD21 LEU A 42 -5.449 -5.491 1.369 1.00 15.22 H new ATOM 0 HD22 LEU A 42 -5.994 -5.049 3.005 1.00 15.22 H new ATOM 0 HD23 LEU A 42 -6.344 -6.670 2.357 1.00 15.22 H new ATOM 693 N PHE A 43 -10.374 -7.081 0.862 1.00 70.31 N ATOM 694 CA PHE A 43 -10.572 -7.966 -0.292 1.00 63.35 C ATOM 695 C PHE A 43 -11.939 -7.732 -0.948 1.00 5.54 C ATOM 696 O PHE A 43 -12.039 -7.620 -2.171 1.00 72.15 O ATOM 697 CB PHE A 43 -10.429 -9.438 0.125 1.00 75.41 C ATOM 698 CG PHE A 43 -9.096 -9.770 0.755 1.00 40.41 C ATOM 699 CD1 PHE A 43 -7.915 -9.263 0.229 1.00 11.02 C ATOM 700 CD2 PHE A 43 -9.023 -10.598 1.867 1.00 23.13 C ATOM 701 CE1 PHE A 43 -6.694 -9.571 0.799 1.00 54.25 C ATOM 702 CE2 PHE A 43 -7.803 -10.907 2.442 1.00 10.32 C ATOM 703 CZ PHE A 43 -6.639 -10.393 1.906 1.00 1.44 C ATOM 0 H PHE A 43 -10.235 -7.570 1.746 1.00 70.31 H new ATOM 0 HA PHE A 43 -9.801 -7.730 -1.025 1.00 63.35 H new ATOM 0 HB2 PHE A 43 -11.224 -9.685 0.829 1.00 75.41 H new ATOM 0 HB3 PHE A 43 -10.573 -10.069 -0.752 1.00 75.41 H new ATOM 0 HD1 PHE A 43 -7.951 -8.619 -0.637 1.00 11.02 H new ATOM 0 HD2 PHE A 43 -9.930 -11.006 2.288 1.00 23.13 H new ATOM 0 HE1 PHE A 43 -5.784 -9.169 0.378 1.00 54.25 H new ATOM 0 HE2 PHE A 43 -7.761 -11.550 3.309 1.00 10.32 H new ATOM 0 HZ PHE A 43 -5.686 -10.634 2.353 1.00 1.44 H new ATOM 713 N SER A 44 -12.987 -7.638 -0.130 1.00 4.34 N ATOM 714 CA SER A 44 -14.345 -7.386 -0.633 1.00 4.25 C ATOM 715 C SER A 44 -14.424 -6.069 -1.416 1.00 62.15 C ATOM 716 O SER A 44 -15.062 -6.003 -2.466 1.00 54.34 O ATOM 717 CB SER A 44 -15.360 -7.356 0.519 1.00 13.42 C ATOM 718 OG SER A 44 -15.454 -8.623 1.156 1.00 40.43 O ATOM 0 H SER A 44 -12.926 -7.732 0.884 1.00 4.34 H new ATOM 0 HA SER A 44 -14.590 -8.206 -1.308 1.00 4.25 H new ATOM 0 HB2 SER A 44 -15.065 -6.601 1.248 1.00 13.42 H new ATOM 0 HB3 SER A 44 -16.339 -7.065 0.137 1.00 13.42 H new ATOM 0 HG SER A 44 -14.765 -8.693 1.849 1.00 40.43 H new ATOM 724 N PHE A 45 -13.765 -5.029 -0.905 1.00 21.31 N ATOM 725 CA PHE A 45 -13.788 -3.709 -1.544 1.00 62.04 C ATOM 726 C PHE A 45 -13.052 -3.714 -2.895 1.00 52.02 C ATOM 727 O PHE A 45 -13.642 -3.409 -3.934 1.00 24.43 O ATOM 728 CB PHE A 45 -13.167 -2.657 -0.614 1.00 73.33 C ATOM 729 CG PHE A 45 -13.109 -1.279 -1.226 1.00 72.11 C ATOM 730 CD1 PHE A 45 -14.251 -0.496 -1.311 1.00 13.11 C ATOM 731 CD2 PHE A 45 -11.916 -0.771 -1.726 1.00 71.43 C ATOM 732 CE1 PHE A 45 -14.206 0.760 -1.886 1.00 0.20 C ATOM 733 CE2 PHE A 45 -11.869 0.485 -2.299 1.00 3.02 C ATOM 734 CZ PHE A 45 -13.014 1.252 -2.377 1.00 13.22 C ATOM 0 H PHE A 45 -13.209 -5.073 -0.051 1.00 21.31 H new ATOM 0 HA PHE A 45 -14.831 -3.456 -1.734 1.00 62.04 H new ATOM 0 HB2 PHE A 45 -13.744 -2.613 0.310 1.00 73.33 H new ATOM 0 HB3 PHE A 45 -12.158 -2.970 -0.345 1.00 73.33 H new ATOM 0 HD1 PHE A 45 -15.186 -0.872 -0.923 1.00 13.11 H new ATOM 0 HD2 PHE A 45 -11.016 -1.365 -1.666 1.00 71.43 H new ATOM 0 HE1 PHE A 45 -15.104 1.356 -1.951 1.00 0.20 H new ATOM 0 HE2 PHE A 45 -10.936 0.867 -2.686 1.00 3.02 H new ATOM 0 HZ PHE A 45 -12.977 2.236 -2.822 1.00 13.22 H new ATOM 744 N MET A 46 -11.763 -4.059 -2.877 1.00 31.22 N ATOM 745 CA MET A 46 -10.949 -4.067 -4.101 1.00 64.22 C ATOM 746 C MET A 46 -11.546 -5.010 -5.166 1.00 24.33 C ATOM 747 O MET A 46 -11.477 -4.735 -6.365 1.00 15.35 O ATOM 748 CB MET A 46 -9.496 -4.457 -3.780 1.00 12.25 C ATOM 749 CG MET A 46 -9.344 -5.844 -3.170 1.00 12.14 C ATOM 750 SD MET A 46 -7.651 -6.197 -2.660 1.00 52.22 S ATOM 751 CE MET A 46 -6.781 -5.983 -4.210 1.00 60.22 C ATOM 0 H MET A 46 -11.259 -4.336 -2.034 1.00 31.22 H new ATOM 0 HA MET A 46 -10.953 -3.058 -4.513 1.00 64.22 H new ATOM 0 HB2 MET A 46 -8.907 -4.408 -4.696 1.00 12.25 H new ATOM 0 HB3 MET A 46 -9.077 -3.722 -3.093 1.00 12.25 H new ATOM 0 HG2 MET A 46 -10.005 -5.932 -2.308 1.00 12.14 H new ATOM 0 HG3 MET A 46 -9.665 -6.592 -3.895 1.00 12.14 H new ATOM 0 HE1 MET A 46 -5.717 -6.168 -4.059 1.00 60.22 H new ATOM 0 HE2 MET A 46 -7.171 -6.686 -4.946 1.00 60.22 H new ATOM 0 HE3 MET A 46 -6.925 -4.964 -4.570 1.00 60.22 H new ATOM 761 N GLN A 47 -12.154 -6.106 -4.714 1.00 72.00 N ATOM 762 CA GLN A 47 -12.825 -7.055 -5.611 1.00 33.24 C ATOM 763 C GLN A 47 -13.933 -6.371 -6.433 1.00 25.23 C ATOM 764 O GLN A 47 -14.037 -6.578 -7.644 1.00 72.41 O ATOM 765 CB GLN A 47 -13.417 -8.211 -4.791 1.00 70.11 C ATOM 766 CG GLN A 47 -14.141 -9.265 -5.619 1.00 60.03 C ATOM 767 CD GLN A 47 -14.738 -10.368 -4.763 1.00 21.11 C ATOM 768 OE1 GLN A 47 -15.140 -10.143 -3.626 1.00 34.34 O ATOM 769 NE2 GLN A 47 -14.794 -11.569 -5.297 1.00 43.25 N ATOM 0 H GLN A 47 -12.197 -6.362 -3.728 1.00 72.00 H new ATOM 0 HA GLN A 47 -12.084 -7.442 -6.310 1.00 33.24 H new ATOM 0 HB2 GLN A 47 -12.614 -8.693 -4.234 1.00 70.11 H new ATOM 0 HB3 GLN A 47 -14.112 -7.802 -4.058 1.00 70.11 H new ATOM 0 HG2 GLN A 47 -14.933 -8.788 -6.196 1.00 60.03 H new ATOM 0 HG3 GLN A 47 -13.444 -9.702 -6.335 1.00 60.03 H new ATOM 0 HE21 GLN A 47 -14.451 -11.722 -6.245 1.00 43.25 H new ATOM 0 HE22 GLN A 47 -15.180 -12.347 -4.763 1.00 43.25 H new ATOM 778 N LYS A 48 -14.740 -5.537 -5.768 1.00 55.23 N ATOM 779 CA LYS A 48 -15.879 -4.862 -6.414 1.00 60.23 C ATOM 780 C LYS A 48 -15.460 -4.069 -7.665 1.00 22.54 C ATOM 781 O LYS A 48 -16.130 -4.130 -8.697 1.00 73.15 O ATOM 782 CB LYS A 48 -16.575 -3.921 -5.418 1.00 3.21 C ATOM 783 CG LYS A 48 -17.228 -4.638 -4.240 1.00 70.53 C ATOM 784 CD LYS A 48 -17.838 -3.648 -3.246 1.00 2.35 C ATOM 785 CE LYS A 48 -18.442 -4.359 -2.041 1.00 41.31 C ATOM 786 NZ LYS A 48 -19.070 -3.409 -1.083 1.00 52.00 N ATOM 0 H LYS A 48 -14.628 -5.311 -4.780 1.00 55.23 H new ATOM 0 HA LYS A 48 -16.570 -5.642 -6.733 1.00 60.23 H new ATOM 0 HB2 LYS A 48 -15.844 -3.208 -5.036 1.00 3.21 H new ATOM 0 HB3 LYS A 48 -17.335 -3.346 -5.947 1.00 3.21 H new ATOM 0 HG2 LYS A 48 -18.003 -5.310 -4.607 1.00 70.53 H new ATOM 0 HG3 LYS A 48 -16.486 -5.254 -3.732 1.00 70.53 H new ATOM 0 HD2 LYS A 48 -17.071 -2.950 -2.910 1.00 2.35 H new ATOM 0 HD3 LYS A 48 -18.608 -3.059 -3.745 1.00 2.35 H new ATOM 0 HE2 LYS A 48 -19.189 -5.076 -2.381 1.00 41.31 H new ATOM 0 HE3 LYS A 48 -17.665 -4.927 -1.530 1.00 41.31 H new ATOM 0 HZ1 LYS A 48 -19.467 -3.937 -0.280 1.00 52.00 H new ATOM 0 HZ2 LYS A 48 -18.353 -2.740 -0.737 1.00 52.00 H new ATOM 0 HZ3 LYS A 48 -19.830 -2.884 -1.562 1.00 52.00 H new ATOM 800 N ARG A 49 -14.342 -3.347 -7.582 1.00 13.02 N ATOM 801 CA ARG A 49 -13.890 -2.503 -8.702 1.00 30.42 C ATOM 802 C ARG A 49 -13.034 -3.282 -9.719 1.00 3.01 C ATOM 803 O ARG A 49 -12.372 -2.682 -10.572 1.00 73.31 O ATOM 804 CB ARG A 49 -13.126 -1.272 -8.183 1.00 53.31 C ATOM 805 CG ARG A 49 -11.932 -1.592 -7.285 1.00 63.11 C ATOM 806 CD ARG A 49 -11.179 -0.325 -6.876 1.00 11.12 C ATOM 807 NE ARG A 49 -12.043 0.640 -6.194 1.00 1.33 N ATOM 808 CZ ARG A 49 -11.658 1.823 -5.789 1.00 11.32 C ATOM 809 NH1 ARG A 49 -10.444 2.232 -5.974 1.00 11.40 N ATOM 810 NH2 ARG A 49 -12.497 2.604 -5.197 1.00 31.35 N ATOM 0 H ARG A 49 -13.735 -3.325 -6.763 1.00 13.02 H new ATOM 0 HA ARG A 49 -14.785 -2.169 -9.227 1.00 30.42 H new ATOM 0 HB2 ARG A 49 -12.776 -0.692 -9.037 1.00 53.31 H new ATOM 0 HB3 ARG A 49 -13.819 -0.638 -7.630 1.00 53.31 H new ATOM 0 HG2 ARG A 49 -12.277 -2.115 -6.393 1.00 63.11 H new ATOM 0 HG3 ARG A 49 -11.254 -2.266 -7.807 1.00 63.11 H new ATOM 0 HD2 ARG A 49 -10.350 -0.593 -6.221 1.00 11.12 H new ATOM 0 HD3 ARG A 49 -10.747 0.140 -7.762 1.00 11.12 H new ATOM 0 HE ARG A 49 -13.012 0.372 -6.023 1.00 1.33 H new ATOM 0 HH11 ARG A 49 -9.768 1.629 -6.443 1.00 11.40 H new ATOM 0 HH12 ARG A 49 -10.163 3.158 -5.651 1.00 11.40 H new ATOM 0 HH21 ARG A 49 -13.458 2.299 -5.045 1.00 31.35 H new ATOM 0 HH22 ARG A 49 -12.199 3.527 -4.880 1.00 31.35 H new ATOM 824 N GLY A 50 -13.064 -4.612 -9.639 1.00 33.41 N ATOM 825 CA GLY A 50 -12.398 -5.444 -10.640 1.00 31.44 C ATOM 826 C GLY A 50 -10.922 -5.718 -10.356 1.00 32.02 C ATOM 827 O GLY A 50 -10.117 -5.814 -11.283 1.00 53.04 O ATOM 0 H GLY A 50 -13.537 -5.132 -8.900 1.00 33.41 H new ATOM 0 HA2 GLY A 50 -12.924 -6.396 -10.711 1.00 31.44 H new ATOM 0 HA3 GLY A 50 -12.484 -4.959 -11.612 1.00 31.44 H new ATOM 831 N THR A 51 -10.560 -5.848 -9.080 1.00 20.33 N ATOM 832 CA THR A 51 -9.185 -6.226 -8.705 1.00 23.24 C ATOM 833 C THR A 51 -9.150 -7.037 -7.397 1.00 63.23 C ATOM 834 O THR A 51 -8.883 -6.502 -6.324 1.00 73.22 O ATOM 835 CB THR A 51 -8.245 -4.991 -8.586 1.00 24.13 C ATOM 836 OG1 THR A 51 -6.971 -5.380 -8.042 1.00 31.25 O ATOM 837 CG2 THR A 51 -8.859 -3.892 -7.722 1.00 12.23 C ATOM 0 H THR A 51 -11.188 -5.700 -8.290 1.00 20.33 H new ATOM 0 HA THR A 51 -8.816 -6.856 -9.514 1.00 23.24 H new ATOM 0 HB THR A 51 -8.105 -4.593 -9.591 1.00 24.13 H new ATOM 0 HG1 THR A 51 -6.390 -4.594 -7.975 1.00 31.25 H new ATOM 0 HG21 THR A 51 -8.172 -3.048 -7.664 1.00 12.23 H new ATOM 0 HG22 THR A 51 -9.800 -3.564 -8.164 1.00 12.23 H new ATOM 0 HG23 THR A 51 -9.045 -4.278 -6.720 1.00 12.23 H new ATOM 845 N PRO A 52 -9.460 -8.347 -7.470 1.00 40.22 N ATOM 846 CA PRO A 52 -9.407 -9.243 -6.309 1.00 44.44 C ATOM 847 C PRO A 52 -8.011 -9.866 -6.091 1.00 10.21 C ATOM 848 O PRO A 52 -7.168 -9.870 -6.990 1.00 52.14 O ATOM 849 CB PRO A 52 -10.429 -10.317 -6.687 1.00 43.32 C ATOM 850 CG PRO A 52 -10.317 -10.429 -8.173 1.00 61.43 C ATOM 851 CD PRO A 52 -9.906 -9.061 -8.685 1.00 33.41 C ATOM 0 HA PRO A 52 -9.616 -8.726 -5.372 1.00 44.44 H new ATOM 0 HB2 PRO A 52 -10.207 -11.266 -6.199 1.00 43.32 H new ATOM 0 HB3 PRO A 52 -11.436 -10.031 -6.385 1.00 43.32 H new ATOM 0 HG2 PRO A 52 -9.580 -11.183 -8.450 1.00 61.43 H new ATOM 0 HG3 PRO A 52 -11.267 -10.736 -8.610 1.00 61.43 H new ATOM 0 HD2 PRO A 52 -9.106 -9.134 -9.422 1.00 33.41 H new ATOM 0 HD3 PRO A 52 -10.738 -8.548 -9.167 1.00 33.41 H new ATOM 859 N VAL A 53 -7.775 -10.402 -4.894 1.00 1.33 N ATOM 860 CA VAL A 53 -6.479 -11.008 -4.564 1.00 44.24 C ATOM 861 C VAL A 53 -6.482 -12.529 -4.789 1.00 43.23 C ATOM 862 O VAL A 53 -7.046 -13.285 -3.996 1.00 72.44 O ATOM 863 CB VAL A 53 -6.078 -10.719 -3.092 1.00 63.22 C ATOM 864 CG1 VAL A 53 -4.710 -11.327 -2.764 1.00 11.01 C ATOM 865 CG2 VAL A 53 -6.085 -9.218 -2.817 1.00 42.32 C ATOM 0 H VAL A 53 -8.459 -10.431 -4.138 1.00 1.33 H new ATOM 0 HA VAL A 53 -5.750 -10.554 -5.235 1.00 44.24 H new ATOM 0 HB VAL A 53 -6.817 -11.189 -2.443 1.00 63.22 H new ATOM 0 HG11 VAL A 53 -4.454 -11.109 -1.727 1.00 11.01 H new ATOM 0 HG12 VAL A 53 -4.747 -12.407 -2.910 1.00 11.01 H new ATOM 0 HG13 VAL A 53 -3.954 -10.898 -3.422 1.00 11.01 H new ATOM 0 HG21 VAL A 53 -5.801 -9.037 -1.780 1.00 42.32 H new ATOM 0 HG22 VAL A 53 -5.375 -8.723 -3.479 1.00 42.32 H new ATOM 0 HG23 VAL A 53 -7.084 -8.820 -2.995 1.00 42.32 H new ATOM 875 N ASN A 54 -5.862 -12.971 -5.886 1.00 41.13 N ATOM 876 CA ASN A 54 -5.666 -14.404 -6.133 1.00 34.25 C ATOM 877 C ASN A 54 -4.346 -14.878 -5.502 1.00 54.02 C ATOM 878 O ASN A 54 -4.343 -15.416 -4.399 1.00 33.53 O ATOM 879 CB ASN A 54 -5.693 -14.715 -7.638 1.00 21.42 C ATOM 880 CG ASN A 54 -7.061 -14.478 -8.256 1.00 1.35 C ATOM 881 OD1 ASN A 54 -7.910 -15.362 -8.272 1.00 52.20 O ATOM 882 ND2 ASN A 54 -7.285 -13.289 -8.780 1.00 62.52 N ATOM 0 H ASN A 54 -5.489 -12.362 -6.614 1.00 41.13 H new ATOM 0 HA ASN A 54 -6.489 -14.946 -5.667 1.00 34.25 H new ATOM 0 HB2 ASN A 54 -4.955 -14.095 -8.147 1.00 21.42 H new ATOM 0 HB3 ASN A 54 -5.401 -15.753 -7.797 1.00 21.42 H new ATOM 0 HD21 ASN A 54 -8.185 -13.084 -9.214 1.00 62.52 H new ATOM 0 HD22 ASN A 54 -6.558 -12.574 -8.751 1.00 62.52 H new ATOM 889 N ARG A 55 -3.222 -14.663 -6.188 1.00 13.04 N ATOM 890 CA ARG A 55 -1.905 -14.962 -5.608 1.00 2.01 C ATOM 891 C ARG A 55 -1.318 -13.721 -4.911 1.00 72.32 C ATOM 892 O ARG A 55 -1.578 -12.584 -5.313 1.00 41.32 O ATOM 893 CB ARG A 55 -0.932 -15.492 -6.674 1.00 31.15 C ATOM 894 CG ARG A 55 -0.826 -14.619 -7.919 1.00 72.20 C ATOM 895 CD ARG A 55 0.353 -15.034 -8.795 1.00 20.12 C ATOM 896 NE ARG A 55 0.346 -16.465 -9.111 1.00 24.42 N ATOM 897 CZ ARG A 55 1.392 -17.123 -9.546 1.00 20.32 C ATOM 898 NH1 ARG A 55 2.523 -16.517 -9.732 1.00 13.42 N ATOM 899 NH2 ARG A 55 1.307 -18.389 -9.796 1.00 12.44 N ATOM 0 H ARG A 55 -3.193 -14.287 -7.136 1.00 13.04 H new ATOM 0 HA ARG A 55 -2.044 -15.744 -4.861 1.00 2.01 H new ATOM 0 HB2 ARG A 55 0.058 -15.590 -6.228 1.00 31.15 H new ATOM 0 HB3 ARG A 55 -1.248 -16.492 -6.972 1.00 31.15 H new ATOM 0 HG2 ARG A 55 -1.750 -14.689 -8.493 1.00 72.20 H new ATOM 0 HG3 ARG A 55 -0.712 -13.576 -7.624 1.00 72.20 H new ATOM 0 HD2 ARG A 55 0.331 -14.461 -9.722 1.00 20.12 H new ATOM 0 HD3 ARG A 55 1.284 -14.783 -8.287 1.00 20.12 H new ATOM 0 HE ARG A 55 -0.526 -16.980 -8.985 1.00 24.42 H new ATOM 0 HH11 ARG A 55 2.604 -15.519 -9.539 1.00 13.42 H new ATOM 0 HH12 ARG A 55 3.331 -17.039 -10.071 1.00 13.42 H new ATOM 0 HH21 ARG A 55 0.423 -18.879 -9.655 1.00 12.44 H new ATOM 0 HH22 ARG A 55 2.124 -18.898 -10.135 1.00 12.44 H new ATOM 913 N ILE A 56 -0.520 -13.953 -3.872 1.00 2.31 N ATOM 914 CA ILE A 56 0.002 -12.871 -3.024 1.00 1.43 C ATOM 915 C ILE A 56 1.471 -12.532 -3.360 1.00 11.21 C ATOM 916 O ILE A 56 2.288 -13.431 -3.557 1.00 75.42 O ATOM 917 CB ILE A 56 -0.106 -13.271 -1.529 1.00 51.32 C ATOM 918 CG1 ILE A 56 -1.534 -13.761 -1.220 1.00 23.54 C ATOM 919 CG2 ILE A 56 0.270 -12.096 -0.622 1.00 14.32 C ATOM 920 CD1 ILE A 56 -1.694 -14.366 0.159 1.00 54.22 C ATOM 0 H ILE A 56 -0.216 -14.885 -3.591 1.00 2.31 H new ATOM 0 HA ILE A 56 -0.601 -11.984 -3.218 1.00 1.43 H new ATOM 0 HB ILE A 56 0.595 -14.082 -1.333 1.00 51.32 H new ATOM 0 HG12 ILE A 56 -2.224 -12.923 -1.320 1.00 23.54 H new ATOM 0 HG13 ILE A 56 -1.822 -14.502 -1.966 1.00 23.54 H new ATOM 0 HG21 ILE A 56 0.187 -12.401 0.421 1.00 14.32 H new ATOM 0 HG22 ILE A 56 1.295 -11.789 -0.830 1.00 14.32 H new ATOM 0 HG23 ILE A 56 -0.404 -11.260 -0.811 1.00 14.32 H new ATOM 0 HD11 ILE A 56 -2.727 -14.686 0.298 1.00 54.22 H new ATOM 0 HD12 ILE A 56 -1.031 -15.226 0.258 1.00 54.22 H new ATOM 0 HD13 ILE A 56 -1.439 -13.622 0.914 1.00 54.22 H new ATOM 932 N PRO A 57 1.819 -11.227 -3.442 1.00 43.11 N ATOM 933 CA PRO A 57 3.204 -10.781 -3.715 1.00 51.14 C ATOM 934 C PRO A 57 4.227 -11.278 -2.669 1.00 62.13 C ATOM 935 O PRO A 57 3.979 -11.226 -1.461 1.00 23.32 O ATOM 936 CB PRO A 57 3.106 -9.244 -3.677 1.00 4.43 C ATOM 937 CG PRO A 57 1.661 -8.938 -3.893 1.00 43.23 C ATOM 938 CD PRO A 57 0.893 -10.087 -3.300 1.00 51.22 C ATOM 0 HA PRO A 57 3.564 -11.182 -4.662 1.00 51.14 H new ATOM 0 HB2 PRO A 57 3.453 -8.851 -2.721 1.00 4.43 H new ATOM 0 HB3 PRO A 57 3.724 -8.791 -4.452 1.00 4.43 H new ATOM 0 HG2 PRO A 57 1.387 -7.998 -3.414 1.00 43.23 H new ATOM 0 HG3 PRO A 57 1.441 -8.830 -4.955 1.00 43.23 H new ATOM 0 HD2 PRO A 57 0.638 -9.904 -2.256 1.00 51.22 H new ATOM 0 HD3 PRO A 57 -0.043 -10.261 -3.831 1.00 51.22 H new ATOM 946 N ILE A 58 5.383 -11.747 -3.146 1.00 31.23 N ATOM 947 CA ILE A 58 6.457 -12.229 -2.263 1.00 44.04 C ATOM 948 C ILE A 58 7.723 -11.353 -2.388 1.00 73.31 C ATOM 949 O ILE A 58 8.126 -10.975 -3.492 1.00 3.32 O ATOM 950 CB ILE A 58 6.824 -13.705 -2.581 1.00 73.13 C ATOM 951 CG1 ILE A 58 5.573 -14.604 -2.518 1.00 14.51 C ATOM 952 CG2 ILE A 58 7.901 -14.216 -1.621 1.00 11.20 C ATOM 953 CD1 ILE A 58 4.912 -14.648 -1.155 1.00 32.34 C ATOM 0 H ILE A 58 5.603 -11.805 -4.140 1.00 31.23 H new ATOM 0 HA ILE A 58 6.081 -12.165 -1.242 1.00 44.04 H new ATOM 0 HB ILE A 58 7.223 -13.743 -3.594 1.00 73.13 H new ATOM 0 HG12 ILE A 58 4.847 -14.251 -3.251 1.00 14.51 H new ATOM 0 HG13 ILE A 58 5.852 -15.617 -2.808 1.00 14.51 H new ATOM 0 HG21 ILE A 58 8.142 -15.251 -1.862 1.00 11.20 H new ATOM 0 HG22 ILE A 58 8.797 -13.602 -1.719 1.00 11.20 H new ATOM 0 HG23 ILE A 58 7.532 -14.159 -0.597 1.00 11.20 H new ATOM 0 HD11 ILE A 58 4.040 -15.301 -1.194 1.00 32.34 H new ATOM 0 HD12 ILE A 58 5.620 -15.031 -0.420 1.00 32.34 H new ATOM 0 HD13 ILE A 58 4.600 -13.643 -0.869 1.00 32.34 H new ATOM 965 N MET A 59 8.340 -11.032 -1.252 1.00 25.14 N ATOM 966 CA MET A 59 9.581 -10.239 -1.230 1.00 24.14 C ATOM 967 C MET A 59 10.603 -10.841 -0.253 1.00 71.43 C ATOM 968 O MET A 59 10.281 -11.100 0.906 1.00 4.12 O ATOM 969 CB MET A 59 9.282 -8.788 -0.826 1.00 44.11 C ATOM 970 CG MET A 59 10.487 -7.860 -0.929 1.00 74.00 C ATOM 971 SD MET A 59 11.026 -7.607 -2.632 1.00 44.04 S ATOM 972 CE MET A 59 9.622 -6.709 -3.293 1.00 40.23 C ATOM 0 H MET A 59 8.004 -11.307 -0.329 1.00 25.14 H new ATOM 0 HA MET A 59 10.004 -10.256 -2.234 1.00 24.14 H new ATOM 0 HB2 MET A 59 8.483 -8.402 -1.459 1.00 44.11 H new ATOM 0 HB3 MET A 59 8.912 -8.775 0.199 1.00 44.11 H new ATOM 0 HG2 MET A 59 10.238 -6.897 -0.484 1.00 74.00 H new ATOM 0 HG3 MET A 59 11.311 -8.275 -0.349 1.00 74.00 H new ATOM 0 HE1 MET A 59 9.927 -6.162 -4.185 1.00 40.23 H new ATOM 0 HE2 MET A 59 8.830 -7.412 -3.552 1.00 40.23 H new ATOM 0 HE3 MET A 59 9.254 -6.007 -2.545 1.00 40.23 H new ATOM 982 N ALA A 60 11.833 -11.065 -0.728 1.00 55.21 N ATOM 983 CA ALA A 60 12.912 -11.619 0.108 1.00 14.34 C ATOM 984 C ALA A 60 12.514 -12.963 0.752 1.00 72.31 C ATOM 985 O ALA A 60 12.935 -13.276 1.868 1.00 34.43 O ATOM 986 CB ALA A 60 13.315 -10.606 1.175 1.00 10.45 C ATOM 0 H ALA A 60 12.110 -10.871 -1.690 1.00 55.21 H new ATOM 0 HA ALA A 60 13.767 -11.818 -0.539 1.00 14.34 H new ATOM 0 HB1 ALA A 60 14.113 -11.023 1.789 1.00 10.45 H new ATOM 0 HB2 ALA A 60 13.666 -9.692 0.695 1.00 10.45 H new ATOM 0 HB3 ALA A 60 12.454 -10.378 1.804 1.00 10.45 H new ATOM 992 N LYS A 61 11.718 -13.755 0.018 1.00 4.54 N ATOM 993 CA LYS A 61 11.228 -15.075 0.477 1.00 22.44 C ATOM 994 C LYS A 61 10.087 -14.954 1.508 1.00 72.43 C ATOM 995 O LYS A 61 9.537 -15.962 1.951 1.00 41.41 O ATOM 996 CB LYS A 61 12.366 -15.927 1.071 1.00 72.53 C ATOM 997 CG LYS A 61 13.538 -16.176 0.126 1.00 63.53 C ATOM 998 CD LYS A 61 13.138 -17.000 -1.092 1.00 40.54 C ATOM 999 CE LYS A 61 14.357 -17.405 -1.912 1.00 52.13 C ATOM 1000 NZ LYS A 61 15.325 -18.198 -1.105 1.00 4.53 N ATOM 0 H LYS A 61 11.392 -13.502 -0.915 1.00 4.54 H new ATOM 0 HA LYS A 61 10.835 -15.572 -0.410 1.00 22.44 H new ATOM 0 HB2 LYS A 61 12.739 -15.434 1.969 1.00 72.53 H new ATOM 0 HB3 LYS A 61 11.957 -16.888 1.382 1.00 72.53 H new ATOM 0 HG2 LYS A 61 13.945 -15.220 -0.203 1.00 63.53 H new ATOM 0 HG3 LYS A 61 14.333 -16.692 0.665 1.00 63.53 H new ATOM 0 HD2 LYS A 61 12.601 -17.892 -0.770 1.00 40.54 H new ATOM 0 HD3 LYS A 61 12.454 -16.424 -1.715 1.00 40.54 H new ATOM 0 HE2 LYS A 61 14.037 -17.990 -2.775 1.00 52.13 H new ATOM 0 HE3 LYS A 61 14.850 -16.512 -2.297 1.00 52.13 H new ATOM 0 HZ1 LYS A 61 15.647 -19.019 -1.657 1.00 4.53 H new ATOM 0 HZ2 LYS A 61 16.142 -17.603 -0.860 1.00 4.53 H new ATOM 0 HZ3 LYS A 61 14.863 -18.527 -0.233 1.00 4.53 H new ATOM 1014 N GLN A 62 9.732 -13.726 1.878 1.00 72.53 N ATOM 1015 CA GLN A 62 8.646 -13.477 2.839 1.00 52.51 C ATOM 1016 C GLN A 62 7.370 -12.993 2.128 1.00 32.43 C ATOM 1017 O GLN A 62 7.441 -12.294 1.114 1.00 22.43 O ATOM 1018 CB GLN A 62 9.105 -12.434 3.876 1.00 2.45 C ATOM 1019 CG GLN A 62 7.996 -11.935 4.803 1.00 4.24 C ATOM 1020 CD GLN A 62 8.489 -10.930 5.833 1.00 50.11 C ATOM 1021 OE1 GLN A 62 9.622 -10.999 6.298 1.00 12.00 O ATOM 1022 NE2 GLN A 62 7.649 -9.977 6.189 1.00 31.22 N ATOM 0 H GLN A 62 10.180 -12.879 1.528 1.00 72.53 H new ATOM 0 HA GLN A 62 8.410 -14.414 3.343 1.00 52.51 H new ATOM 0 HB2 GLN A 62 9.901 -12.868 4.482 1.00 2.45 H new ATOM 0 HB3 GLN A 62 9.534 -11.581 3.350 1.00 2.45 H new ATOM 0 HG2 GLN A 62 7.209 -11.477 4.204 1.00 4.24 H new ATOM 0 HG3 GLN A 62 7.550 -12.786 5.318 1.00 4.24 H new ATOM 0 HE21 GLN A 62 6.713 -9.945 5.785 1.00 31.22 H new ATOM 0 HE22 GLN A 62 7.936 -9.272 6.868 1.00 31.22 H new ATOM 1031 N VAL A 63 6.205 -13.374 2.655 1.00 43.50 N ATOM 1032 CA VAL A 63 4.928 -12.901 2.111 1.00 53.23 C ATOM 1033 C VAL A 63 4.722 -11.412 2.430 1.00 13.22 C ATOM 1034 O VAL A 63 5.010 -10.958 3.538 1.00 54.44 O ATOM 1035 CB VAL A 63 3.728 -13.728 2.654 1.00 64.03 C ATOM 1036 CG1 VAL A 63 3.612 -13.610 4.174 1.00 34.02 C ATOM 1037 CG2 VAL A 63 2.424 -13.307 1.977 1.00 54.31 C ATOM 0 H VAL A 63 6.118 -14.004 3.452 1.00 43.50 H new ATOM 0 HA VAL A 63 4.969 -13.035 1.030 1.00 53.23 H new ATOM 0 HB VAL A 63 3.914 -14.775 2.415 1.00 64.03 H new ATOM 0 HG11 VAL A 63 2.764 -14.200 4.521 1.00 34.02 H new ATOM 0 HG12 VAL A 63 4.526 -13.981 4.639 1.00 34.02 H new ATOM 0 HG13 VAL A 63 3.464 -12.565 4.448 1.00 34.02 H new ATOM 0 HG21 VAL A 63 1.600 -13.900 2.374 1.00 54.31 H new ATOM 0 HG22 VAL A 63 2.238 -12.251 2.171 1.00 54.31 H new ATOM 0 HG23 VAL A 63 2.503 -13.470 0.902 1.00 54.31 H new ATOM 1047 N LEU A 64 4.243 -10.651 1.453 1.00 4.21 N ATOM 1048 CA LEU A 64 4.037 -9.213 1.638 1.00 44.00 C ATOM 1049 C LEU A 64 2.874 -8.935 2.607 1.00 31.42 C ATOM 1050 O LEU A 64 1.700 -9.005 2.232 1.00 13.32 O ATOM 1051 CB LEU A 64 3.789 -8.533 0.281 1.00 1.33 C ATOM 1052 CG LEU A 64 3.716 -6.995 0.307 1.00 50.30 C ATOM 1053 CD1 LEU A 64 5.006 -6.398 0.866 1.00 11.33 C ATOM 1054 CD2 LEU A 64 3.437 -6.444 -1.091 1.00 23.21 C ATOM 0 H LEU A 64 3.990 -11.000 0.528 1.00 4.21 H new ATOM 0 HA LEU A 64 4.941 -8.794 2.080 1.00 44.00 H new ATOM 0 HB2 LEU A 64 4.584 -8.829 -0.403 1.00 1.33 H new ATOM 0 HB3 LEU A 64 2.855 -8.916 -0.131 1.00 1.33 H new ATOM 0 HG LEU A 64 2.894 -6.708 0.963 1.00 50.30 H new ATOM 0 HD11 LEU A 64 4.930 -5.311 0.874 1.00 11.33 H new ATOM 0 HD12 LEU A 64 5.163 -6.758 1.883 1.00 11.33 H new ATOM 0 HD13 LEU A 64 5.847 -6.698 0.241 1.00 11.33 H new ATOM 0 HD21 LEU A 64 3.389 -5.356 -1.050 1.00 23.21 H new ATOM 0 HD22 LEU A 64 4.236 -6.747 -1.768 1.00 23.21 H new ATOM 0 HD23 LEU A 64 2.486 -6.836 -1.453 1.00 23.21 H new ATOM 1066 N ASP A 65 3.212 -8.650 3.868 1.00 1.33 N ATOM 1067 CA ASP A 65 2.214 -8.338 4.894 1.00 53.23 C ATOM 1068 C ASP A 65 1.368 -7.114 4.496 1.00 62.34 C ATOM 1069 O ASP A 65 1.680 -5.982 4.874 1.00 14.41 O ATOM 1070 CB ASP A 65 2.900 -8.072 6.244 1.00 65.04 C ATOM 1071 CG ASP A 65 3.820 -9.202 6.670 1.00 44.01 C ATOM 1072 OD1 ASP A 65 4.961 -9.256 6.176 1.00 61.33 O ATOM 1073 OD2 ASP A 65 3.410 -10.029 7.511 1.00 25.30 O ATOM 0 H ASP A 65 4.175 -8.629 4.204 1.00 1.33 H new ATOM 0 HA ASP A 65 1.554 -9.200 4.986 1.00 53.23 H new ATOM 0 HB2 ASP A 65 3.474 -7.148 6.179 1.00 65.04 H new ATOM 0 HB3 ASP A 65 2.139 -7.921 7.010 1.00 65.04 H new ATOM 1078 N LEU A 66 0.306 -7.352 3.724 1.00 3.52 N ATOM 1079 CA LEU A 66 -0.574 -6.273 3.241 1.00 20.31 C ATOM 1080 C LEU A 66 -1.049 -5.352 4.380 1.00 54.25 C ATOM 1081 O LEU A 66 -1.106 -4.133 4.222 1.00 25.15 O ATOM 1082 CB LEU A 66 -1.788 -6.868 2.508 1.00 74.13 C ATOM 1083 CG LEU A 66 -1.461 -7.708 1.258 1.00 61.53 C ATOM 1084 CD1 LEU A 66 -2.739 -8.268 0.635 1.00 32.53 C ATOM 1085 CD2 LEU A 66 -0.676 -6.883 0.237 1.00 21.32 C ATOM 0 H LEU A 66 0.029 -8.284 3.416 1.00 3.52 H new ATOM 0 HA LEU A 66 0.011 -5.665 2.551 1.00 20.31 H new ATOM 0 HB2 LEU A 66 -2.344 -7.492 3.208 1.00 74.13 H new ATOM 0 HB3 LEU A 66 -2.449 -6.052 2.214 1.00 74.13 H new ATOM 0 HG LEU A 66 -0.836 -8.546 1.566 1.00 61.53 H new ATOM 0 HD11 LEU A 66 -2.486 -8.858 -0.246 1.00 32.53 H new ATOM 0 HD12 LEU A 66 -3.251 -8.900 1.361 1.00 32.53 H new ATOM 0 HD13 LEU A 66 -3.393 -7.446 0.346 1.00 32.53 H new ATOM 0 HD21 LEU A 66 -0.457 -7.498 -0.636 1.00 21.32 H new ATOM 0 HD22 LEU A 66 -1.269 -6.020 -0.066 1.00 21.32 H new ATOM 0 HD23 LEU A 66 0.258 -6.543 0.685 1.00 21.32 H new ATOM 1097 N PHE A 67 -1.377 -5.940 5.529 1.00 54.35 N ATOM 1098 CA PHE A 67 -1.836 -5.169 6.692 1.00 64.54 C ATOM 1099 C PHE A 67 -0.770 -4.160 7.154 1.00 2.25 C ATOM 1100 O PHE A 67 -1.055 -2.976 7.333 1.00 22.22 O ATOM 1101 CB PHE A 67 -2.192 -6.120 7.842 1.00 32.43 C ATOM 1102 CG PHE A 67 -2.731 -5.429 9.074 1.00 14.53 C ATOM 1103 CD1 PHE A 67 -4.052 -5.012 9.127 1.00 31.31 C ATOM 1104 CD2 PHE A 67 -1.918 -5.201 10.178 1.00 51.21 C ATOM 1105 CE1 PHE A 67 -4.553 -4.382 10.249 1.00 14.14 C ATOM 1106 CE2 PHE A 67 -2.416 -4.572 11.303 1.00 4.24 C ATOM 1107 CZ PHE A 67 -3.735 -4.162 11.340 1.00 64.33 C ATOM 0 H PHE A 67 -1.335 -6.947 5.684 1.00 54.35 H new ATOM 0 HA PHE A 67 -2.723 -4.608 6.396 1.00 64.54 H new ATOM 0 HB2 PHE A 67 -2.932 -6.838 7.489 1.00 32.43 H new ATOM 0 HB3 PHE A 67 -1.303 -6.688 8.117 1.00 32.43 H new ATOM 0 HD1 PHE A 67 -4.698 -5.182 8.279 1.00 31.31 H new ATOM 0 HD2 PHE A 67 -0.886 -5.519 10.156 1.00 51.21 H new ATOM 0 HE1 PHE A 67 -5.584 -4.061 10.273 1.00 14.14 H new ATOM 0 HE2 PHE A 67 -1.774 -4.401 12.154 1.00 4.24 H new ATOM 0 HZ PHE A 67 -4.125 -3.671 12.219 1.00 64.33 H new ATOM 1117 N MET A 68 0.461 -4.636 7.328 1.00 41.12 N ATOM 1118 CA MET A 68 1.568 -3.777 7.767 1.00 73.53 C ATOM 1119 C MET A 68 1.933 -2.749 6.688 1.00 74.31 C ATOM 1120 O MET A 68 2.213 -1.589 6.989 1.00 50.12 O ATOM 1121 CB MET A 68 2.795 -4.629 8.115 1.00 70.34 C ATOM 1122 CG MET A 68 2.537 -5.666 9.197 1.00 12.51 C ATOM 1123 SD MET A 68 2.052 -4.934 10.775 1.00 24.22 S ATOM 1124 CE MET A 68 3.520 -3.993 11.194 1.00 71.04 C ATOM 0 H MET A 68 0.721 -5.610 7.173 1.00 41.12 H new ATOM 0 HA MET A 68 1.242 -3.237 8.656 1.00 73.53 H new ATOM 0 HB2 MET A 68 3.141 -5.136 7.214 1.00 70.34 H new ATOM 0 HB3 MET A 68 3.601 -3.972 8.440 1.00 70.34 H new ATOM 0 HG2 MET A 68 1.753 -6.345 8.862 1.00 12.51 H new ATOM 0 HG3 MET A 68 3.437 -6.264 9.341 1.00 12.51 H new ATOM 0 HE1 MET A 68 3.507 -3.753 12.257 1.00 71.04 H new ATOM 0 HE2 MET A 68 4.408 -4.583 10.966 1.00 71.04 H new ATOM 0 HE3 MET A 68 3.538 -3.070 10.614 1.00 71.04 H new ATOM 1134 N LEU A 69 1.927 -3.188 5.430 1.00 22.22 N ATOM 1135 CA LEU A 69 2.213 -2.307 4.295 1.00 11.12 C ATOM 1136 C LEU A 69 1.265 -1.096 4.296 1.00 22.02 C ATOM 1137 O LEU A 69 1.693 0.045 4.114 1.00 33.13 O ATOM 1138 CB LEU A 69 2.080 -3.095 2.983 1.00 70.42 C ATOM 1139 CG LEU A 69 2.570 -2.369 1.719 1.00 53.12 C ATOM 1140 CD1 LEU A 69 4.067 -2.093 1.806 1.00 1.43 C ATOM 1141 CD2 LEU A 69 2.239 -3.177 0.465 1.00 10.55 C ATOM 0 H LEU A 69 1.726 -4.153 5.169 1.00 22.22 H new ATOM 0 HA LEU A 69 3.234 -1.935 4.384 1.00 11.12 H new ATOM 0 HB2 LEU A 69 2.635 -4.028 3.083 1.00 70.42 H new ATOM 0 HB3 LEU A 69 1.032 -3.361 2.844 1.00 70.42 H new ATOM 0 HG LEU A 69 2.050 -1.414 1.651 1.00 53.12 H new ATOM 0 HD11 LEU A 69 4.395 -1.579 0.903 1.00 1.43 H new ATOM 0 HD12 LEU A 69 4.272 -1.467 2.675 1.00 1.43 H new ATOM 0 HD13 LEU A 69 4.606 -3.036 1.903 1.00 1.43 H new ATOM 0 HD21 LEU A 69 2.595 -2.643 -0.416 1.00 10.55 H new ATOM 0 HD22 LEU A 69 2.725 -4.151 0.521 1.00 10.55 H new ATOM 0 HD23 LEU A 69 1.160 -3.314 0.395 1.00 10.55 H new ATOM 1153 N TYR A 70 -0.023 -1.361 4.521 1.00 13.02 N ATOM 1154 CA TYR A 70 -1.028 -0.300 4.645 1.00 3.22 C ATOM 1155 C TYR A 70 -0.674 0.676 5.781 1.00 33.22 C ATOM 1156 O TYR A 70 -0.618 1.891 5.577 1.00 63.15 O ATOM 1157 CB TYR A 70 -2.415 -0.919 4.896 1.00 45.34 C ATOM 1158 CG TYR A 70 -3.502 0.095 5.231 1.00 4.02 C ATOM 1159 CD1 TYR A 70 -4.210 0.754 4.229 1.00 52.11 C ATOM 1160 CD2 TYR A 70 -3.819 0.390 6.557 1.00 31.34 C ATOM 1161 CE1 TYR A 70 -5.196 1.676 4.539 1.00 13.52 C ATOM 1162 CE2 TYR A 70 -4.802 1.308 6.870 1.00 0.04 C ATOM 1163 CZ TYR A 70 -5.488 1.947 5.860 1.00 50.03 C ATOM 1164 OH TYR A 70 -6.465 2.867 6.175 1.00 75.22 O ATOM 0 H TYR A 70 -0.397 -2.305 4.622 1.00 13.02 H new ATOM 0 HA TYR A 70 -1.044 0.262 3.711 1.00 3.22 H new ATOM 0 HB2 TYR A 70 -2.716 -1.478 4.010 1.00 45.34 H new ATOM 0 HB3 TYR A 70 -2.338 -1.635 5.714 1.00 45.34 H new ATOM 0 HD1 TYR A 70 -3.987 0.543 3.194 1.00 52.11 H new ATOM 0 HD2 TYR A 70 -3.286 -0.109 7.353 1.00 31.34 H new ATOM 0 HE1 TYR A 70 -5.734 2.181 3.750 1.00 13.52 H new ATOM 0 HE2 TYR A 70 -5.032 1.524 7.903 1.00 0.04 H new ATOM 0 HH TYR A 70 -6.545 2.938 7.149 1.00 75.22 H new ATOM 1174 N VAL A 71 -0.441 0.132 6.976 1.00 71.11 N ATOM 1175 CA VAL A 71 -0.133 0.943 8.162 1.00 41.23 C ATOM 1176 C VAL A 71 1.031 1.914 7.910 1.00 35.01 C ATOM 1177 O VAL A 71 0.884 3.128 8.066 1.00 72.13 O ATOM 1178 CB VAL A 71 0.208 0.046 9.382 1.00 60.52 C ATOM 1179 CG1 VAL A 71 0.552 0.892 10.608 1.00 4.14 C ATOM 1180 CG2 VAL A 71 -0.948 -0.907 9.686 1.00 54.44 C ATOM 0 H VAL A 71 -0.459 -0.873 7.152 1.00 71.11 H new ATOM 0 HA VAL A 71 -1.029 1.524 8.378 1.00 41.23 H new ATOM 0 HB VAL A 71 1.087 -0.548 9.131 1.00 60.52 H new ATOM 0 HG11 VAL A 71 0.787 0.238 11.447 1.00 4.14 H new ATOM 0 HG12 VAL A 71 1.414 1.521 10.386 1.00 4.14 H new ATOM 0 HG13 VAL A 71 -0.299 1.522 10.866 1.00 4.14 H new ATOM 0 HG21 VAL A 71 -0.691 -1.528 10.544 1.00 54.44 H new ATOM 0 HG22 VAL A 71 -1.845 -0.330 9.911 1.00 54.44 H new ATOM 0 HG23 VAL A 71 -1.133 -1.543 8.820 1.00 54.44 H new ATOM 1190 N LEU A 72 2.176 1.373 7.498 1.00 3.02 N ATOM 1191 CA LEU A 72 3.380 2.183 7.275 1.00 52.43 C ATOM 1192 C LEU A 72 3.161 3.283 6.219 1.00 23.42 C ATOM 1193 O LEU A 72 3.351 4.464 6.504 1.00 20.11 O ATOM 1194 CB LEU A 72 4.577 1.298 6.881 1.00 51.24 C ATOM 1195 CG LEU A 72 5.314 0.609 8.048 1.00 0.11 C ATOM 1196 CD1 LEU A 72 5.854 1.646 9.032 1.00 24.32 C ATOM 1197 CD2 LEU A 72 4.410 -0.396 8.762 1.00 43.12 C ATOM 0 H LEU A 72 2.299 0.378 7.311 1.00 3.02 H new ATOM 0 HA LEU A 72 3.602 2.677 8.221 1.00 52.43 H new ATOM 0 HB2 LEU A 72 4.225 0.529 6.193 1.00 51.24 H new ATOM 0 HB3 LEU A 72 5.294 1.911 6.334 1.00 51.24 H new ATOM 0 HG LEU A 72 6.157 0.058 7.631 1.00 0.11 H new ATOM 0 HD11 LEU A 72 6.370 1.140 9.848 1.00 24.32 H new ATOM 0 HD12 LEU A 72 6.550 2.308 8.517 1.00 24.32 H new ATOM 0 HD13 LEU A 72 5.027 2.231 9.434 1.00 24.32 H new ATOM 0 HD21 LEU A 72 4.960 -0.864 9.579 1.00 43.12 H new ATOM 0 HD22 LEU A 72 3.536 0.120 9.161 1.00 43.12 H new ATOM 0 HD23 LEU A 72 4.088 -1.162 8.056 1.00 43.12 H new ATOM 1209 N VAL A 73 2.755 2.904 5.010 1.00 11.14 N ATOM 1210 CA VAL A 73 2.602 3.875 3.916 1.00 11.43 C ATOM 1211 C VAL A 73 1.615 5.006 4.277 1.00 63.22 C ATOM 1212 O VAL A 73 1.920 6.192 4.100 1.00 63.31 O ATOM 1213 CB VAL A 73 2.142 3.183 2.609 1.00 41.22 C ATOM 1214 CG1 VAL A 73 1.954 4.204 1.486 1.00 5.03 C ATOM 1215 CG2 VAL A 73 3.137 2.096 2.195 1.00 24.40 C ATOM 0 H VAL A 73 2.527 1.942 4.759 1.00 11.14 H new ATOM 0 HA VAL A 73 3.586 4.318 3.758 1.00 11.43 H new ATOM 0 HB VAL A 73 1.178 2.710 2.797 1.00 41.22 H new ATOM 0 HG11 VAL A 73 1.631 3.692 0.579 1.00 5.03 H new ATOM 0 HG12 VAL A 73 1.199 4.933 1.780 1.00 5.03 H new ATOM 0 HG13 VAL A 73 2.898 4.715 1.297 1.00 5.03 H new ATOM 0 HG21 VAL A 73 2.796 1.622 1.275 1.00 24.40 H new ATOM 0 HG22 VAL A 73 4.117 2.543 2.031 1.00 24.40 H new ATOM 0 HG23 VAL A 73 3.207 1.348 2.984 1.00 24.40 H new ATOM 1225 N THR A 74 0.447 4.642 4.805 1.00 12.13 N ATOM 1226 CA THR A 74 -0.576 5.638 5.158 1.00 2.52 C ATOM 1227 C THR A 74 -0.102 6.592 6.266 1.00 40.51 C ATOM 1228 O THR A 74 -0.369 7.796 6.206 1.00 0.41 O ATOM 1229 CB THR A 74 -1.915 4.990 5.600 1.00 40.30 C ATOM 1230 OG1 THR A 74 -1.736 4.209 6.795 1.00 52.11 O ATOM 1231 CG2 THR A 74 -2.495 4.116 4.492 1.00 44.33 C ATOM 0 H THR A 74 0.183 3.676 4.998 1.00 12.13 H new ATOM 0 HA THR A 74 -0.745 6.205 4.242 1.00 2.52 H new ATOM 0 HB THR A 74 -2.617 5.797 5.809 1.00 40.30 H new ATOM 0 HG1 THR A 74 -1.346 3.340 6.563 1.00 52.11 H new ATOM 0 HG21 THR A 74 -3.433 3.675 4.830 1.00 44.33 H new ATOM 0 HG22 THR A 74 -2.678 4.725 3.607 1.00 44.33 H new ATOM 0 HG23 THR A 74 -1.789 3.323 4.247 1.00 44.33 H new ATOM 1239 N GLU A 75 0.604 6.071 7.273 1.00 21.51 N ATOM 1240 CA GLU A 75 1.074 6.910 8.387 1.00 45.44 C ATOM 1241 C GLU A 75 2.195 7.869 7.943 1.00 55.25 C ATOM 1242 O GLU A 75 2.384 8.934 8.536 1.00 53.31 O ATOM 1243 CB GLU A 75 1.557 6.058 9.574 1.00 72.23 C ATOM 1244 CG GLU A 75 2.889 5.354 9.345 1.00 41.23 C ATOM 1245 CD GLU A 75 3.460 4.761 10.621 1.00 61.34 C ATOM 1246 OE1 GLU A 75 3.152 3.597 10.941 1.00 1.43 O ATOM 1247 OE2 GLU A 75 4.220 5.472 11.319 1.00 51.13 O ATOM 0 H GLU A 75 0.862 5.087 7.344 1.00 21.51 H new ATOM 0 HA GLU A 75 0.219 7.503 8.711 1.00 45.44 H new ATOM 0 HB2 GLU A 75 1.645 6.698 10.452 1.00 72.23 H new ATOM 0 HB3 GLU A 75 0.798 5.309 9.800 1.00 72.23 H new ATOM 0 HG2 GLU A 75 2.756 4.562 8.608 1.00 41.23 H new ATOM 0 HG3 GLU A 75 3.603 6.063 8.926 1.00 41.23 H new ATOM 1254 N LYS A 76 2.938 7.490 6.899 1.00 32.45 N ATOM 1255 CA LYS A 76 3.995 8.355 6.355 1.00 52.33 C ATOM 1256 C LYS A 76 3.397 9.559 5.611 1.00 24.21 C ATOM 1257 O LYS A 76 4.073 10.572 5.408 1.00 55.43 O ATOM 1258 CB LYS A 76 4.925 7.570 5.413 1.00 52.33 C ATOM 1259 CG LYS A 76 5.613 6.369 6.061 1.00 43.44 C ATOM 1260 CD LYS A 76 6.408 6.755 7.307 1.00 35.31 C ATOM 1261 CE LYS A 76 7.048 5.539 7.973 1.00 0.23 C ATOM 1262 NZ LYS A 76 7.788 5.904 9.212 1.00 71.31 N ATOM 0 H LYS A 76 2.831 6.598 6.415 1.00 32.45 H new ATOM 0 HA LYS A 76 4.580 8.721 7.199 1.00 52.33 H new ATOM 0 HB2 LYS A 76 4.346 7.223 4.557 1.00 52.33 H new ATOM 0 HB3 LYS A 76 5.688 8.247 5.029 1.00 52.33 H new ATOM 0 HG2 LYS A 76 4.863 5.625 6.328 1.00 43.44 H new ATOM 0 HG3 LYS A 76 6.281 5.902 5.337 1.00 43.44 H new ATOM 0 HD2 LYS A 76 7.184 7.471 7.035 1.00 35.31 H new ATOM 0 HD3 LYS A 76 5.749 7.254 8.018 1.00 35.31 H new ATOM 0 HE2 LYS A 76 6.275 4.810 8.215 1.00 0.23 H new ATOM 0 HE3 LYS A 76 7.731 5.059 7.272 1.00 0.23 H new ATOM 0 HZ1 LYS A 76 8.206 5.049 9.631 1.00 71.31 H new ATOM 0 HZ2 LYS A 76 8.543 6.580 8.979 1.00 71.31 H new ATOM 0 HZ3 LYS A 76 7.132 6.338 9.893 1.00 71.31 H new ATOM 1276 N GLY A 77 2.129 9.441 5.207 1.00 61.43 N ATOM 1277 CA GLY A 77 1.453 10.536 4.512 1.00 3.05 C ATOM 1278 C GLY A 77 0.652 10.084 3.289 1.00 53.21 C ATOM 1279 O GLY A 77 0.033 10.906 2.611 1.00 75.31 O ATOM 0 H GLY A 77 1.557 8.608 5.348 1.00 61.43 H new ATOM 0 HA2 GLY A 77 0.783 11.039 5.209 1.00 3.05 H new ATOM 0 HA3 GLY A 77 2.196 11.270 4.199 1.00 3.05 H new ATOM 1283 N GLY A 78 0.664 8.783 3.001 1.00 35.10 N ATOM 1284 CA GLY A 78 -0.059 8.257 1.844 1.00 55.54 C ATOM 1285 C GLY A 78 0.866 7.853 0.700 1.00 13.15 C ATOM 1286 O GLY A 78 2.026 8.269 0.659 1.00 74.44 O ATOM 0 H GLY A 78 1.161 8.080 3.547 1.00 35.10 H new ATOM 0 HA2 GLY A 78 -0.647 7.392 2.152 1.00 55.54 H new ATOM 0 HA3 GLY A 78 -0.762 9.010 1.488 1.00 55.54 H new ATOM 1290 N LEU A 79 0.345 7.055 -0.234 1.00 21.15 N ATOM 1291 CA LEU A 79 1.139 6.534 -1.358 1.00 60.25 C ATOM 1292 C LEU A 79 1.959 7.632 -2.061 1.00 42.51 C ATOM 1293 O LEU A 79 3.175 7.506 -2.212 1.00 74.23 O ATOM 1294 CB LEU A 79 0.223 5.831 -2.374 1.00 31.31 C ATOM 1295 CG LEU A 79 0.926 5.273 -3.627 1.00 30.33 C ATOM 1296 CD1 LEU A 79 2.007 4.262 -3.248 1.00 62.34 C ATOM 1297 CD2 LEU A 79 -0.092 4.645 -4.578 1.00 63.24 C ATOM 0 H LEU A 79 -0.629 6.752 -0.237 1.00 21.15 H new ATOM 0 HA LEU A 79 1.847 5.817 -0.943 1.00 60.25 H new ATOM 0 HB2 LEU A 79 -0.287 5.011 -1.870 1.00 31.31 H new ATOM 0 HB3 LEU A 79 -0.545 6.536 -2.693 1.00 31.31 H new ATOM 0 HG LEU A 79 1.411 6.104 -4.140 1.00 30.33 H new ATOM 0 HD11 LEU A 79 2.486 3.885 -4.152 1.00 62.34 H new ATOM 0 HD12 LEU A 79 2.753 4.746 -2.617 1.00 62.34 H new ATOM 0 HD13 LEU A 79 1.555 3.433 -2.704 1.00 62.34 H new ATOM 0 HD21 LEU A 79 0.423 4.256 -5.457 1.00 63.24 H new ATOM 0 HD22 LEU A 79 -0.610 3.831 -4.071 1.00 63.24 H new ATOM 0 HD23 LEU A 79 -0.816 5.399 -4.886 1.00 63.24 H new ATOM 1309 N VAL A 80 1.299 8.712 -2.474 1.00 45.24 N ATOM 1310 CA VAL A 80 1.970 9.788 -3.215 1.00 2.01 C ATOM 1311 C VAL A 80 3.088 10.448 -2.395 1.00 45.24 C ATOM 1312 O VAL A 80 4.196 10.647 -2.897 1.00 75.13 O ATOM 1313 CB VAL A 80 0.954 10.856 -3.690 1.00 71.45 C ATOM 1314 CG1 VAL A 80 1.656 12.099 -4.234 1.00 54.31 C ATOM 1315 CG2 VAL A 80 0.028 10.255 -4.746 1.00 20.02 C ATOM 0 H VAL A 80 0.304 8.869 -2.311 1.00 45.24 H new ATOM 0 HA VAL A 80 2.430 9.326 -4.089 1.00 2.01 H new ATOM 0 HB VAL A 80 0.362 11.169 -2.830 1.00 71.45 H new ATOM 0 HG11 VAL A 80 0.911 12.826 -4.557 1.00 54.31 H new ATOM 0 HG12 VAL A 80 2.276 12.538 -3.452 1.00 54.31 H new ATOM 0 HG13 VAL A 80 2.283 11.821 -5.081 1.00 54.31 H new ATOM 0 HG21 VAL A 80 -0.685 11.010 -5.077 1.00 20.02 H new ATOM 0 HG22 VAL A 80 0.618 9.916 -5.597 1.00 20.02 H new ATOM 0 HG23 VAL A 80 -0.511 9.410 -4.318 1.00 20.02 H new ATOM 1325 N GLU A 81 2.808 10.769 -1.135 1.00 4.34 N ATOM 1326 CA GLU A 81 3.815 11.384 -0.261 1.00 1.53 C ATOM 1327 C GLU A 81 5.055 10.479 -0.132 1.00 33.54 C ATOM 1328 O GLU A 81 6.193 10.948 -0.165 1.00 54.42 O ATOM 1329 CB GLU A 81 3.223 11.664 1.127 1.00 14.33 C ATOM 1330 CG GLU A 81 4.175 12.395 2.074 1.00 13.54 C ATOM 1331 CD GLU A 81 4.450 13.834 1.659 1.00 12.34 C ATOM 1332 OE1 GLU A 81 5.307 14.058 0.781 1.00 13.44 O ATOM 1333 OE2 GLU A 81 3.813 14.753 2.219 1.00 20.11 O ATOM 0 H GLU A 81 1.901 10.617 -0.694 1.00 4.34 H new ATOM 0 HA GLU A 81 4.121 12.328 -0.711 1.00 1.53 H new ATOM 0 HB2 GLU A 81 2.316 12.257 1.011 1.00 14.33 H new ATOM 0 HB3 GLU A 81 2.929 10.718 1.583 1.00 14.33 H new ATOM 0 HG2 GLU A 81 3.753 12.388 3.079 1.00 13.54 H new ATOM 0 HG3 GLU A 81 5.118 11.851 2.121 1.00 13.54 H new ATOM 1340 N VAL A 82 4.819 9.174 0.002 1.00 72.05 N ATOM 1341 CA VAL A 82 5.906 8.192 0.074 1.00 11.13 C ATOM 1342 C VAL A 82 6.724 8.168 -1.230 1.00 42.22 C ATOM 1343 O VAL A 82 7.960 8.151 -1.205 1.00 4.30 O ATOM 1344 CB VAL A 82 5.357 6.771 0.379 1.00 4.24 C ATOM 1345 CG1 VAL A 82 6.481 5.738 0.400 1.00 43.34 C ATOM 1346 CG2 VAL A 82 4.598 6.765 1.707 1.00 60.21 C ATOM 0 H VAL A 82 3.884 8.770 0.063 1.00 72.05 H new ATOM 0 HA VAL A 82 6.562 8.496 0.890 1.00 11.13 H new ATOM 0 HB VAL A 82 4.666 6.499 -0.419 1.00 4.24 H new ATOM 0 HG11 VAL A 82 6.066 4.753 0.616 1.00 43.34 H new ATOM 0 HG12 VAL A 82 6.975 5.719 -0.571 1.00 43.34 H new ATOM 0 HG13 VAL A 82 7.205 6.004 1.170 1.00 43.34 H new ATOM 0 HG21 VAL A 82 4.220 5.762 1.906 1.00 60.21 H new ATOM 0 HG22 VAL A 82 5.270 7.066 2.511 1.00 60.21 H new ATOM 0 HG23 VAL A 82 3.763 7.463 1.652 1.00 60.21 H new ATOM 1356 N ILE A 83 6.025 8.188 -2.366 1.00 31.21 N ATOM 1357 CA ILE A 83 6.671 8.226 -3.684 1.00 3.13 C ATOM 1358 C ILE A 83 7.522 9.500 -3.854 1.00 50.30 C ATOM 1359 O ILE A 83 8.571 9.483 -4.504 1.00 41.14 O ATOM 1360 CB ILE A 83 5.614 8.152 -4.820 1.00 12.02 C ATOM 1361 CG1 ILE A 83 4.798 6.852 -4.713 1.00 4.21 C ATOM 1362 CG2 ILE A 83 6.279 8.251 -6.191 1.00 51.02 C ATOM 1363 CD1 ILE A 83 3.672 6.754 -5.722 1.00 14.51 C ATOM 0 H ILE A 83 5.006 8.179 -2.402 1.00 31.21 H new ATOM 0 HA ILE A 83 7.327 7.358 -3.749 1.00 3.13 H new ATOM 0 HB ILE A 83 4.937 8.999 -4.708 1.00 12.02 H new ATOM 0 HG12 ILE A 83 5.467 6.002 -4.845 1.00 4.21 H new ATOM 0 HG13 ILE A 83 4.381 6.777 -3.709 1.00 4.21 H new ATOM 0 HG21 ILE A 83 5.518 8.197 -6.969 1.00 51.02 H new ATOM 0 HG22 ILE A 83 6.811 9.199 -6.270 1.00 51.02 H new ATOM 0 HG23 ILE A 83 6.983 7.428 -6.314 1.00 51.02 H new ATOM 0 HD11 ILE A 83 3.142 5.811 -5.585 1.00 14.51 H new ATOM 0 HD12 ILE A 83 2.980 7.584 -5.577 1.00 14.51 H new ATOM 0 HD13 ILE A 83 4.083 6.796 -6.731 1.00 14.51 H new ATOM 1375 N ASN A 84 7.066 10.602 -3.261 1.00 44.34 N ATOM 1376 CA ASN A 84 7.807 11.869 -3.308 1.00 4.31 C ATOM 1377 C ASN A 84 9.024 11.857 -2.368 1.00 72.45 C ATOM 1378 O ASN A 84 10.133 12.205 -2.778 1.00 34.05 O ATOM 1379 CB ASN A 84 6.879 13.043 -2.959 1.00 74.14 C ATOM 1380 CG ASN A 84 5.822 13.269 -4.024 1.00 10.40 C ATOM 1381 OD1 ASN A 84 6.040 12.990 -5.198 1.00 1.44 O ATOM 1382 ND2 ASN A 84 4.679 13.789 -3.632 1.00 42.32 N ATOM 0 H ASN A 84 6.189 10.647 -2.742 1.00 44.34 H new ATOM 0 HA ASN A 84 8.178 11.994 -4.325 1.00 4.31 H new ATOM 0 HB2 ASN A 84 6.394 12.849 -2.002 1.00 74.14 H new ATOM 0 HB3 ASN A 84 7.472 13.950 -2.838 1.00 74.14 H new ATOM 0 HD21 ASN A 84 3.942 13.972 -4.313 1.00 42.32 H new ATOM 0 HD22 ASN A 84 4.530 14.009 -2.647 1.00 42.32 H new ATOM 1389 N LYS A 85 8.817 11.439 -1.119 1.00 24.31 N ATOM 1390 CA LYS A 85 9.892 11.416 -0.111 1.00 23.32 C ATOM 1391 C LYS A 85 10.889 10.260 -0.337 1.00 61.33 C ATOM 1392 O LYS A 85 11.974 10.247 0.253 1.00 23.42 O ATOM 1393 CB LYS A 85 9.295 11.316 1.298 1.00 52.05 C ATOM 1394 CG LYS A 85 8.432 12.508 1.693 1.00 4.31 C ATOM 1395 CD LYS A 85 8.017 12.443 3.162 1.00 22.14 C ATOM 1396 CE LYS A 85 9.227 12.450 4.094 1.00 35.21 C ATOM 1397 NZ LYS A 85 8.828 12.446 5.524 1.00 54.52 N ATOM 0 H LYS A 85 7.915 11.110 -0.775 1.00 24.31 H new ATOM 0 HA LYS A 85 10.445 12.350 -0.214 1.00 23.32 H new ATOM 0 HB2 LYS A 85 8.695 10.409 1.363 1.00 52.05 H new ATOM 0 HB3 LYS A 85 10.106 11.214 2.019 1.00 52.05 H new ATOM 0 HG2 LYS A 85 8.982 13.431 1.511 1.00 4.31 H new ATOM 0 HG3 LYS A 85 7.542 12.537 1.064 1.00 4.31 H new ATOM 0 HD2 LYS A 85 7.373 13.291 3.396 1.00 22.14 H new ATOM 0 HD3 LYS A 85 7.431 11.541 3.334 1.00 22.14 H new ATOM 0 HE2 LYS A 85 9.848 11.578 3.888 1.00 35.21 H new ATOM 0 HE3 LYS A 85 9.836 13.330 3.890 1.00 35.21 H new ATOM 0 HZ1 LYS A 85 9.679 12.451 6.122 1.00 54.52 H new ATOM 0 HZ2 LYS A 85 8.257 13.291 5.727 1.00 54.52 H new ATOM 0 HZ3 LYS A 85 8.268 11.593 5.726 1.00 54.52 H new ATOM 1411 N LYS A 86 10.501 9.288 -1.169 1.00 64.32 N ATOM 1412 CA LYS A 86 11.377 8.162 -1.553 1.00 31.32 C ATOM 1413 C LYS A 86 11.682 7.218 -0.369 1.00 35.20 C ATOM 1414 O LYS A 86 12.500 6.304 -0.491 1.00 61.24 O ATOM 1415 CB LYS A 86 12.710 8.676 -2.138 1.00 20.24 C ATOM 1416 CG LYS A 86 12.571 9.743 -3.219 1.00 32.00 C ATOM 1417 CD LYS A 86 11.755 9.265 -4.415 1.00 12.43 C ATOM 1418 CE LYS A 86 11.738 10.309 -5.526 1.00 74.23 C ATOM 1419 NZ LYS A 86 11.380 11.660 -5.016 1.00 21.44 N ATOM 0 H LYS A 86 9.576 9.254 -1.597 1.00 64.32 H new ATOM 0 HA LYS A 86 10.831 7.597 -2.309 1.00 31.32 H new ATOM 0 HB2 LYS A 86 13.314 9.080 -1.326 1.00 20.24 H new ATOM 0 HB3 LYS A 86 13.258 7.830 -2.552 1.00 20.24 H new ATOM 0 HG2 LYS A 86 12.099 10.628 -2.792 1.00 32.00 H new ATOM 0 HG3 LYS A 86 13.563 10.043 -3.557 1.00 32.00 H new ATOM 0 HD2 LYS A 86 12.174 8.333 -4.795 1.00 12.43 H new ATOM 0 HD3 LYS A 86 10.734 9.050 -4.099 1.00 12.43 H new ATOM 0 HE2 LYS A 86 12.718 10.349 -6.001 1.00 74.23 H new ATOM 0 HE3 LYS A 86 11.024 10.010 -6.293 1.00 74.23 H new ATOM 0 HZ1 LYS A 86 10.821 12.165 -5.733 1.00 21.44 H new ATOM 0 HZ2 LYS A 86 10.820 11.565 -4.145 1.00 21.44 H new ATOM 0 HZ3 LYS A 86 12.248 12.196 -4.813 1.00 21.44 H new ATOM 1433 N LEU A 87 11.002 7.407 0.760 1.00 54.10 N ATOM 1434 CA LEU A 87 11.355 6.696 2.003 1.00 65.54 C ATOM 1435 C LEU A 87 10.811 5.248 2.044 1.00 61.53 C ATOM 1436 O LEU A 87 10.518 4.716 3.114 1.00 41.42 O ATOM 1437 CB LEU A 87 10.886 7.501 3.240 1.00 2.32 C ATOM 1438 CG LEU A 87 9.389 7.420 3.613 1.00 63.51 C ATOM 1439 CD1 LEU A 87 9.093 8.296 4.830 1.00 41.32 C ATOM 1440 CD2 LEU A 87 8.497 7.819 2.444 1.00 43.41 C ATOM 0 H LEU A 87 10.207 8.041 0.848 1.00 54.10 H new ATOM 0 HA LEU A 87 12.442 6.616 2.024 1.00 65.54 H new ATOM 0 HB2 LEU A 87 11.466 7.166 4.100 1.00 2.32 H new ATOM 0 HB3 LEU A 87 11.136 8.549 3.075 1.00 2.32 H new ATOM 0 HG LEU A 87 9.167 6.382 3.861 1.00 63.51 H new ATOM 0 HD11 LEU A 87 8.034 8.227 5.079 1.00 41.32 H new ATOM 0 HD12 LEU A 87 9.688 7.955 5.677 1.00 41.32 H new ATOM 0 HD13 LEU A 87 9.346 9.332 4.603 1.00 41.32 H new ATOM 0 HD21 LEU A 87 7.451 7.750 2.744 1.00 43.41 H new ATOM 0 HD22 LEU A 87 8.722 8.843 2.147 1.00 43.41 H new ATOM 0 HD23 LEU A 87 8.678 7.150 1.603 1.00 43.41 H new ATOM 1452 N TRP A 88 10.732 4.590 0.883 1.00 40.15 N ATOM 1453 CA TRP A 88 10.307 3.181 0.818 1.00 13.24 C ATOM 1454 C TRP A 88 11.200 2.275 1.690 1.00 61.31 C ATOM 1455 O TRP A 88 10.779 1.201 2.117 1.00 72.33 O ATOM 1456 CB TRP A 88 10.298 2.684 -0.636 1.00 42.50 C ATOM 1457 CG TRP A 88 9.144 3.216 -1.444 1.00 2.42 C ATOM 1458 CD1 TRP A 88 9.187 4.156 -2.437 1.00 63.34 C ATOM 1459 CD2 TRP A 88 7.769 2.829 -1.318 1.00 64.43 C ATOM 1460 NE1 TRP A 88 7.923 4.376 -2.930 1.00 33.01 N ATOM 1461 CE2 TRP A 88 7.036 3.576 -2.259 1.00 72.30 C ATOM 1462 CE3 TRP A 88 7.087 1.924 -0.496 1.00 13.42 C ATOM 1463 CZ2 TRP A 88 5.655 3.441 -2.402 1.00 61.05 C ATOM 1464 CZ3 TRP A 88 5.718 1.792 -0.639 1.00 22.03 C ATOM 1465 CH2 TRP A 88 5.014 2.549 -1.585 1.00 75.13 C ATOM 0 H TRP A 88 10.955 5.004 -0.022 1.00 40.15 H new ATOM 0 HA TRP A 88 9.293 3.127 1.214 1.00 13.24 H new ATOM 0 HB2 TRP A 88 11.232 2.974 -1.117 1.00 42.50 H new ATOM 0 HB3 TRP A 88 10.262 1.595 -0.639 1.00 42.50 H new ATOM 0 HD1 TRP A 88 10.082 4.652 -2.783 1.00 63.34 H new ATOM 0 HE1 TRP A 88 7.684 5.030 -3.676 1.00 33.01 H new ATOM 0 HE3 TRP A 88 7.621 1.339 0.238 1.00 13.42 H new ATOM 0 HZ2 TRP A 88 5.110 4.021 -3.132 1.00 61.05 H new ATOM 0 HZ3 TRP A 88 5.183 1.094 -0.012 1.00 22.03 H new ATOM 0 HH2 TRP A 88 3.944 2.426 -1.671 1.00 75.13 H new ATOM 1476 N ARG A 89 12.430 2.723 1.951 1.00 72.23 N ATOM 1477 CA ARG A 89 13.338 2.028 2.880 1.00 13.41 C ATOM 1478 C ARG A 89 12.730 1.928 4.295 1.00 44.11 C ATOM 1479 O ARG A 89 12.953 0.953 5.015 1.00 24.31 O ATOM 1480 CB ARG A 89 14.692 2.753 2.936 1.00 14.22 C ATOM 1481 CG ARG A 89 14.578 4.268 3.094 1.00 12.51 C ATOM 1482 CD ARG A 89 15.937 4.920 3.325 1.00 52.10 C ATOM 1483 NE ARG A 89 16.464 4.616 4.657 1.00 61.34 N ATOM 1484 CZ ARG A 89 17.705 4.302 4.911 1.00 70.14 C ATOM 1485 NH1 ARG A 89 18.575 4.201 3.957 1.00 22.52 N ATOM 1486 NH2 ARG A 89 18.068 4.093 6.134 1.00 3.22 N ATOM 0 H ARG A 89 12.825 3.565 1.533 1.00 72.23 H new ATOM 0 HA ARG A 89 13.487 1.014 2.508 1.00 13.41 H new ATOM 0 HB2 ARG A 89 15.272 2.354 3.768 1.00 14.22 H new ATOM 0 HB3 ARG A 89 15.248 2.534 2.025 1.00 14.22 H new ATOM 0 HG2 ARG A 89 14.119 4.692 2.201 1.00 12.51 H new ATOM 0 HG3 ARG A 89 13.919 4.497 3.931 1.00 12.51 H new ATOM 0 HD2 ARG A 89 16.640 4.574 2.568 1.00 52.10 H new ATOM 0 HD3 ARG A 89 15.847 6.000 3.207 1.00 52.10 H new ATOM 0 HE ARG A 89 15.815 4.652 5.443 1.00 61.34 H new ATOM 0 HH11 ARG A 89 18.294 4.368 2.991 1.00 22.52 H new ATOM 0 HH12 ARG A 89 19.541 3.955 4.172 1.00 22.52 H new ATOM 0 HH21 ARG A 89 17.387 4.174 6.889 1.00 3.22 H new ATOM 0 HH22 ARG A 89 19.035 3.847 6.344 1.00 3.22 H new ATOM 1500 N GLU A 90 11.967 2.948 4.685 1.00 20.12 N ATOM 1501 CA GLU A 90 11.232 2.936 5.955 1.00 22.21 C ATOM 1502 C GLU A 90 10.155 1.842 5.947 1.00 14.44 C ATOM 1503 O GLU A 90 9.904 1.187 6.961 1.00 45.12 O ATOM 1504 CB GLU A 90 10.576 4.307 6.195 1.00 44.41 C ATOM 1505 CG GLU A 90 11.568 5.440 6.446 1.00 34.43 C ATOM 1506 CD GLU A 90 12.136 5.421 7.859 1.00 0.44 C ATOM 1507 OE1 GLU A 90 13.095 4.662 8.120 1.00 72.30 O ATOM 1508 OE2 GLU A 90 11.614 6.157 8.723 1.00 24.14 O ATOM 0 H GLU A 90 11.839 3.799 4.138 1.00 20.12 H new ATOM 0 HA GLU A 90 11.937 2.726 6.759 1.00 22.21 H new ATOM 0 HB2 GLU A 90 9.963 4.561 5.330 1.00 44.41 H new ATOM 0 HB3 GLU A 90 9.904 4.231 7.050 1.00 44.41 H new ATOM 0 HG2 GLU A 90 12.386 5.367 5.729 1.00 34.43 H new ATOM 0 HG3 GLU A 90 11.074 6.396 6.270 1.00 34.43 H new ATOM 1515 N ILE A 91 9.537 1.650 4.785 1.00 64.03 N ATOM 1516 CA ILE A 91 8.458 0.674 4.622 1.00 64.40 C ATOM 1517 C ILE A 91 8.991 -0.769 4.696 1.00 11.15 C ATOM 1518 O ILE A 91 8.481 -1.590 5.462 1.00 60.24 O ATOM 1519 CB ILE A 91 7.722 0.883 3.273 1.00 74.11 C ATOM 1520 CG1 ILE A 91 7.325 2.362 3.095 1.00 64.22 C ATOM 1521 CG2 ILE A 91 6.496 -0.022 3.184 1.00 74.44 C ATOM 1522 CD1 ILE A 91 6.430 2.904 4.191 1.00 1.21 C ATOM 0 H ILE A 91 9.766 2.162 3.933 1.00 64.03 H new ATOM 0 HA ILE A 91 7.756 0.830 5.441 1.00 64.40 H new ATOM 0 HB ILE A 91 8.402 0.614 2.465 1.00 74.11 H new ATOM 0 HG12 ILE A 91 8.231 2.966 3.050 1.00 64.22 H new ATOM 0 HG13 ILE A 91 6.817 2.477 2.137 1.00 64.22 H new ATOM 0 HG21 ILE A 91 5.993 0.139 2.230 1.00 74.44 H new ATOM 0 HG22 ILE A 91 6.807 -1.064 3.259 1.00 74.44 H new ATOM 0 HG23 ILE A 91 5.811 0.212 3.999 1.00 74.44 H new ATOM 0 HD11 ILE A 91 6.199 3.950 3.988 1.00 1.21 H new ATOM 0 HD12 ILE A 91 5.505 2.328 4.224 1.00 1.21 H new ATOM 0 HD13 ILE A 91 6.941 2.825 5.151 1.00 1.21 H new ATOM 1534 N THR A 92 10.025 -1.067 3.905 1.00 61.53 N ATOM 1535 CA THR A 92 10.651 -2.402 3.910 1.00 31.12 C ATOM 1536 C THR A 92 11.112 -2.797 5.314 1.00 51.12 C ATOM 1537 O THR A 92 10.800 -3.888 5.800 1.00 54.35 O ATOM 1538 CB THR A 92 11.871 -2.486 2.960 1.00 22.15 C ATOM 1539 OG1 THR A 92 12.801 -1.436 3.255 1.00 4.14 O ATOM 1540 CG2 THR A 92 11.447 -2.404 1.501 1.00 14.20 C ATOM 0 H THR A 92 10.449 -0.407 3.253 1.00 61.53 H new ATOM 0 HA THR A 92 9.880 -3.089 3.561 1.00 31.12 H new ATOM 0 HB THR A 92 12.351 -3.452 3.120 1.00 22.15 H new ATOM 0 HG1 THR A 92 13.569 -1.500 2.650 1.00 4.14 H new ATOM 0 HG21 THR A 92 12.328 -2.466 0.862 1.00 14.20 H new ATOM 0 HG22 THR A 92 10.773 -3.229 1.271 1.00 14.20 H new ATOM 0 HG23 THR A 92 10.936 -1.458 1.323 1.00 14.20 H new ATOM 1548 N LYS A 93 11.853 -1.906 5.967 1.00 62.11 N ATOM 1549 CA LYS A 93 12.320 -2.148 7.333 1.00 34.10 C ATOM 1550 C LYS A 93 11.135 -2.393 8.285 1.00 2.10 C ATOM 1551 O LYS A 93 11.227 -3.199 9.215 1.00 61.31 O ATOM 1552 CB LYS A 93 13.161 -0.964 7.829 1.00 51.31 C ATOM 1553 CG LYS A 93 13.889 -1.242 9.142 1.00 12.54 C ATOM 1554 CD LYS A 93 14.845 -2.425 9.000 1.00 5.12 C ATOM 1555 CE LYS A 93 15.511 -2.799 10.317 1.00 3.20 C ATOM 1556 NZ LYS A 93 16.384 -3.995 10.170 1.00 42.21 N ATOM 0 H LYS A 93 12.144 -1.010 5.575 1.00 62.11 H new ATOM 0 HA LYS A 93 12.942 -3.043 7.323 1.00 34.10 H new ATOM 0 HB2 LYS A 93 13.893 -0.703 7.065 1.00 51.31 H new ATOM 0 HB3 LYS A 93 12.513 -0.097 7.958 1.00 51.31 H new ATOM 0 HG2 LYS A 93 14.445 -0.356 9.448 1.00 12.54 H new ATOM 0 HG3 LYS A 93 13.162 -1.450 9.928 1.00 12.54 H new ATOM 0 HD2 LYS A 93 14.298 -3.286 8.616 1.00 5.12 H new ATOM 0 HD3 LYS A 93 15.612 -2.182 8.265 1.00 5.12 H new ATOM 0 HE2 LYS A 93 16.103 -1.958 10.677 1.00 3.20 H new ATOM 0 HE3 LYS A 93 14.747 -2.996 11.069 1.00 3.20 H new ATOM 0 HZ1 LYS A 93 16.821 -4.221 11.086 1.00 42.21 H new ATOM 0 HZ2 LYS A 93 15.814 -4.804 9.850 1.00 42.21 H new ATOM 0 HZ3 LYS A 93 17.128 -3.798 9.471 1.00 42.21 H new ATOM 1570 N GLY A 94 10.022 -1.698 8.035 1.00 1.23 N ATOM 1571 CA GLY A 94 8.811 -1.884 8.831 1.00 73.23 C ATOM 1572 C GLY A 94 8.153 -3.248 8.618 1.00 33.34 C ATOM 1573 O GLY A 94 7.434 -3.740 9.488 1.00 32.42 O ATOM 0 H GLY A 94 9.937 -1.005 7.291 1.00 1.23 H new ATOM 0 HA2 GLY A 94 9.056 -1.767 9.887 1.00 73.23 H new ATOM 0 HA3 GLY A 94 8.096 -1.100 8.581 1.00 73.23 H new ATOM 1577 N LEU A 95 8.397 -3.857 7.456 1.00 61.12 N ATOM 1578 CA LEU A 95 7.873 -5.195 7.146 1.00 52.10 C ATOM 1579 C LEU A 95 8.894 -6.282 7.525 1.00 21.42 C ATOM 1580 O LEU A 95 8.686 -7.466 7.253 1.00 1.40 O ATOM 1581 CB LEU A 95 7.541 -5.292 5.649 1.00 22.14 C ATOM 1582 CG LEU A 95 6.627 -4.185 5.098 1.00 61.12 C ATOM 1583 CD1 LEU A 95 6.392 -4.373 3.602 1.00 44.14 C ATOM 1584 CD2 LEU A 95 5.303 -4.145 5.857 1.00 15.35 C ATOM 0 H LEU A 95 8.956 -3.445 6.709 1.00 61.12 H new ATOM 0 HA LEU A 95 6.966 -5.354 7.729 1.00 52.10 H new ATOM 0 HB2 LEU A 95 8.475 -5.281 5.087 1.00 22.14 H new ATOM 0 HB3 LEU A 95 7.068 -6.256 5.462 1.00 22.14 H new ATOM 0 HG LEU A 95 7.127 -3.228 5.244 1.00 61.12 H new ATOM 0 HD11 LEU A 95 5.743 -3.579 3.233 1.00 44.14 H new ATOM 0 HD12 LEU A 95 7.346 -4.335 3.076 1.00 44.14 H new ATOM 0 HD13 LEU A 95 5.919 -5.339 3.427 1.00 44.14 H new ATOM 0 HD21 LEU A 95 4.674 -3.354 5.449 1.00 15.35 H new ATOM 0 HD22 LEU A 95 4.795 -5.104 5.753 1.00 15.35 H new ATOM 0 HD23 LEU A 95 5.494 -3.949 6.912 1.00 15.35 H new ATOM 1596 N ASN A 96 9.994 -5.853 8.156 1.00 11.33 N ATOM 1597 CA ASN A 96 11.103 -6.740 8.542 1.00 62.02 C ATOM 1598 C ASN A 96 11.867 -7.247 7.298 1.00 74.51 C ATOM 1599 O ASN A 96 12.552 -8.273 7.341 1.00 74.21 O ATOM 1600 CB ASN A 96 10.596 -7.917 9.396 1.00 41.11 C ATOM 1601 CG ASN A 96 11.712 -8.650 10.128 1.00 32.13 C ATOM 1602 OD1 ASN A 96 11.657 -9.861 10.316 1.00 64.14 O ATOM 1603 ND2 ASN A 96 12.721 -7.924 10.573 1.00 63.12 N ATOM 0 H ASN A 96 10.142 -4.878 8.415 1.00 11.33 H new ATOM 0 HA ASN A 96 11.799 -6.161 9.149 1.00 62.02 H new ATOM 0 HB2 ASN A 96 9.875 -7.545 10.124 1.00 41.11 H new ATOM 0 HB3 ASN A 96 10.067 -8.622 8.755 1.00 41.11 H new ATOM 0 HD21 ASN A 96 13.481 -8.369 11.088 1.00 63.12 H new ATOM 0 HD22 ASN A 96 12.740 -6.919 10.402 1.00 63.12 H new ATOM 1610 N LEU A 97 11.757 -6.499 6.201 1.00 31.21 N ATOM 1611 CA LEU A 97 12.441 -6.833 4.946 1.00 41.34 C ATOM 1612 C LEU A 97 13.833 -6.176 4.878 1.00 32.04 C ATOM 1613 O LEU A 97 14.135 -5.253 5.643 1.00 10.13 O ATOM 1614 CB LEU A 97 11.590 -6.371 3.747 1.00 13.11 C ATOM 1615 CG LEU A 97 10.148 -6.900 3.721 1.00 13.31 C ATOM 1616 CD1 LEU A 97 9.411 -6.407 2.480 1.00 33.32 C ATOM 1617 CD2 LEU A 97 10.123 -8.422 3.799 1.00 25.03 C ATOM 0 H LEU A 97 11.196 -5.649 6.154 1.00 31.21 H new ATOM 0 HA LEU A 97 12.571 -7.915 4.909 1.00 41.34 H new ATOM 0 HB2 LEU A 97 11.560 -5.281 3.743 1.00 13.11 H new ATOM 0 HB3 LEU A 97 12.089 -6.679 2.828 1.00 13.11 H new ATOM 0 HG LEU A 97 9.631 -6.511 4.598 1.00 13.31 H new ATOM 0 HD11 LEU A 97 8.392 -6.795 2.484 1.00 33.32 H new ATOM 0 HD12 LEU A 97 9.385 -5.317 2.481 1.00 33.32 H new ATOM 0 HD13 LEU A 97 9.929 -6.756 1.587 1.00 33.32 H new ATOM 0 HD21 LEU A 97 9.090 -8.770 3.779 1.00 25.03 H new ATOM 0 HD22 LEU A 97 10.663 -8.839 2.949 1.00 25.03 H new ATOM 0 HD23 LEU A 97 10.597 -8.747 4.725 1.00 25.03 H new ATOM 1629 N PRO A 98 14.713 -6.651 3.971 1.00 61.52 N ATOM 1630 CA PRO A 98 16.021 -6.022 3.744 1.00 71.35 C ATOM 1631 C PRO A 98 15.896 -4.623 3.110 1.00 64.40 C ATOM 1632 O PRO A 98 15.125 -4.422 2.169 1.00 75.15 O ATOM 1633 CB PRO A 98 16.744 -6.981 2.776 1.00 64.43 C ATOM 1634 CG PRO A 98 15.906 -8.218 2.705 1.00 52.51 C ATOM 1635 CD PRO A 98 14.510 -7.827 3.110 1.00 12.34 C ATOM 0 HA PRO A 98 16.555 -5.871 4.682 1.00 71.35 H new ATOM 0 HB2 PRO A 98 16.853 -6.529 1.790 1.00 64.43 H new ATOM 0 HB3 PRO A 98 17.747 -7.211 3.134 1.00 64.43 H new ATOM 0 HG2 PRO A 98 15.913 -8.632 1.697 1.00 52.51 H new ATOM 0 HG3 PRO A 98 16.299 -8.989 3.369 1.00 52.51 H new ATOM 0 HD2 PRO A 98 13.894 -7.587 2.243 1.00 12.34 H new ATOM 0 HD3 PRO A 98 14.008 -8.633 3.645 1.00 12.34 H new ATOM 1643 N THR A 99 16.664 -3.664 3.620 1.00 64.11 N ATOM 1644 CA THR A 99 16.662 -2.299 3.071 1.00 30.32 C ATOM 1645 C THR A 99 17.667 -2.157 1.916 1.00 50.14 C ATOM 1646 O THR A 99 17.775 -1.101 1.293 1.00 31.22 O ATOM 1647 CB THR A 99 16.973 -1.243 4.165 1.00 34.12 C ATOM 1648 OG1 THR A 99 17.018 0.077 3.599 1.00 64.52 O ATOM 1649 CG2 THR A 99 18.288 -1.546 4.877 1.00 73.34 C ATOM 0 H THR A 99 17.295 -3.800 4.409 1.00 64.11 H new ATOM 0 HA THR A 99 15.658 -2.117 2.687 1.00 30.32 H new ATOM 0 HB THR A 99 16.169 -1.289 4.899 1.00 34.12 H new ATOM 0 HG1 THR A 99 17.275 0.020 2.655 1.00 64.52 H new ATOM 0 HG21 THR A 99 18.474 -0.786 5.636 1.00 73.34 H new ATOM 0 HG22 THR A 99 18.228 -2.526 5.351 1.00 73.34 H new ATOM 0 HG23 THR A 99 19.103 -1.543 4.153 1.00 73.34 H new ATOM 1657 N SER A 100 18.401 -3.235 1.631 1.00 15.31 N ATOM 1658 CA SER A 100 19.386 -3.246 0.535 1.00 2.41 C ATOM 1659 C SER A 100 18.811 -3.872 -0.752 1.00 73.43 C ATOM 1660 O SER A 100 19.560 -4.242 -1.662 1.00 21.04 O ATOM 1661 CB SER A 100 20.650 -4.010 0.966 1.00 13.25 C ATOM 1662 OG SER A 100 21.666 -3.951 -0.029 1.00 53.52 O ATOM 0 H SER A 100 18.335 -4.115 2.142 1.00 15.31 H new ATOM 0 HA SER A 100 19.641 -2.209 0.316 1.00 2.41 H new ATOM 0 HB2 SER A 100 21.029 -3.590 1.898 1.00 13.25 H new ATOM 0 HB3 SER A 100 20.396 -5.051 1.165 1.00 13.25 H new ATOM 0 HG SER A 100 21.258 -4.018 -0.917 1.00 53.52 H new ATOM 1668 N ILE A 101 17.485 -3.993 -0.834 1.00 11.44 N ATOM 1669 CA ILE A 101 16.832 -4.494 -2.054 1.00 34.41 C ATOM 1670 C ILE A 101 16.769 -3.385 -3.123 1.00 64.21 C ATOM 1671 O ILE A 101 16.013 -2.421 -2.991 1.00 32.32 O ATOM 1672 CB ILE A 101 15.400 -5.027 -1.770 1.00 62.22 C ATOM 1673 CG1 ILE A 101 15.438 -6.198 -0.773 1.00 33.22 C ATOM 1674 CG2 ILE A 101 14.714 -5.457 -3.072 1.00 71.22 C ATOM 1675 CD1 ILE A 101 14.064 -6.695 -0.367 1.00 64.23 C ATOM 0 H ILE A 101 16.843 -3.754 -0.079 1.00 11.44 H new ATOM 0 HA ILE A 101 17.433 -5.325 -2.423 1.00 34.41 H new ATOM 0 HB ILE A 101 14.822 -4.217 -1.325 1.00 62.22 H new ATOM 0 HG12 ILE A 101 15.997 -7.023 -1.215 1.00 33.22 H new ATOM 0 HG13 ILE A 101 15.981 -5.887 0.119 1.00 33.22 H new ATOM 0 HG21 ILE A 101 13.713 -5.827 -2.851 1.00 71.22 H new ATOM 0 HG22 ILE A 101 14.645 -4.603 -3.746 1.00 71.22 H new ATOM 0 HG23 ILE A 101 15.296 -6.247 -3.546 1.00 71.22 H new ATOM 0 HD11 ILE A 101 14.169 -7.521 0.337 1.00 64.23 H new ATOM 0 HD12 ILE A 101 13.509 -5.884 0.105 1.00 64.23 H new ATOM 0 HD13 ILE A 101 13.525 -7.038 -1.250 1.00 64.23 H new ATOM 1687 N THR A 102 17.565 -3.542 -4.184 1.00 22.13 N ATOM 1688 CA THR A 102 17.759 -2.493 -5.206 1.00 53.43 C ATOM 1689 C THR A 102 16.442 -1.894 -5.736 1.00 32.21 C ATOM 1690 O THR A 102 16.268 -0.674 -5.752 1.00 71.12 O ATOM 1691 CB THR A 102 18.567 -3.035 -6.413 1.00 0.50 C ATOM 1692 OG1 THR A 102 19.763 -3.688 -5.955 1.00 53.43 O ATOM 1693 CG2 THR A 102 18.941 -1.913 -7.378 1.00 4.45 C ATOM 0 H THR A 102 18.095 -4.395 -4.365 1.00 22.13 H new ATOM 0 HA THR A 102 18.308 -1.701 -4.697 1.00 53.43 H new ATOM 0 HB THR A 102 17.936 -3.750 -6.941 1.00 0.50 H new ATOM 0 HG1 THR A 102 19.839 -4.567 -6.381 1.00 53.43 H new ATOM 0 HG21 THR A 102 19.507 -2.325 -8.213 1.00 4.45 H new ATOM 0 HG22 THR A 102 18.034 -1.438 -7.753 1.00 4.45 H new ATOM 0 HG23 THR A 102 19.549 -1.173 -6.858 1.00 4.45 H new ATOM 1701 N SER A 103 15.518 -2.749 -6.175 1.00 23.51 N ATOM 1702 CA SER A 103 14.275 -2.283 -6.814 1.00 61.14 C ATOM 1703 C SER A 103 13.066 -2.338 -5.868 1.00 43.44 C ATOM 1704 O SER A 103 11.920 -2.290 -6.321 1.00 1.13 O ATOM 1705 CB SER A 103 13.979 -3.117 -8.069 1.00 52.43 C ATOM 1706 OG SER A 103 13.764 -4.484 -7.747 1.00 1.30 O ATOM 0 H SER A 103 15.600 -3.763 -6.103 1.00 23.51 H new ATOM 0 HA SER A 103 14.434 -1.239 -7.085 1.00 61.14 H new ATOM 0 HB2 SER A 103 13.099 -2.718 -8.573 1.00 52.43 H new ATOM 0 HB3 SER A 103 14.812 -3.033 -8.768 1.00 52.43 H new ATOM 0 HG SER A 103 13.576 -4.988 -8.567 1.00 1.30 H new ATOM 1712 N ALA A 104 13.318 -2.404 -4.559 1.00 54.42 N ATOM 1713 CA ALA A 104 12.234 -2.456 -3.562 1.00 62.35 C ATOM 1714 C ALA A 104 11.240 -1.299 -3.742 1.00 42.24 C ATOM 1715 O ALA A 104 10.027 -1.507 -3.803 1.00 72.25 O ATOM 1716 CB ALA A 104 12.806 -2.429 -2.150 1.00 61.53 C ATOM 0 H ALA A 104 14.257 -2.423 -4.161 1.00 54.42 H new ATOM 0 HA ALA A 104 11.696 -3.391 -3.716 1.00 62.35 H new ATOM 0 HB1 ALA A 104 11.992 -2.468 -1.427 1.00 61.53 H new ATOM 0 HB2 ALA A 104 13.461 -3.289 -2.006 1.00 61.53 H new ATOM 0 HB3 ALA A 104 13.376 -1.511 -2.006 1.00 61.53 H new ATOM 1722 N ALA A 105 11.772 -0.081 -3.843 1.00 24.04 N ATOM 1723 CA ALA A 105 10.949 1.123 -4.011 1.00 61.42 C ATOM 1724 C ALA A 105 10.080 1.057 -5.277 1.00 14.31 C ATOM 1725 O ALA A 105 8.989 1.621 -5.324 1.00 42.15 O ATOM 1726 CB ALA A 105 11.841 2.359 -4.052 1.00 32.53 C ATOM 0 H ALA A 105 12.775 0.101 -3.811 1.00 24.04 H new ATOM 0 HA ALA A 105 10.275 1.184 -3.156 1.00 61.42 H new ATOM 0 HB1 ALA A 105 11.224 3.249 -4.177 1.00 32.53 H new ATOM 0 HB2 ALA A 105 12.402 2.434 -3.120 1.00 32.53 H new ATOM 0 HB3 ALA A 105 12.536 2.279 -4.888 1.00 32.53 H new ATOM 1732 N PHE A 106 10.577 0.368 -6.302 1.00 21.42 N ATOM 1733 CA PHE A 106 9.854 0.231 -7.567 1.00 11.52 C ATOM 1734 C PHE A 106 8.699 -0.777 -7.444 1.00 60.52 C ATOM 1735 O PHE A 106 7.547 -0.460 -7.745 1.00 61.51 O ATOM 1736 CB PHE A 106 10.821 -0.206 -8.678 1.00 61.33 C ATOM 1737 CG PHE A 106 10.170 -0.343 -10.033 1.00 52.41 C ATOM 1738 CD1 PHE A 106 9.906 0.778 -10.803 1.00 43.03 C ATOM 1739 CD2 PHE A 106 9.824 -1.591 -10.535 1.00 33.42 C ATOM 1740 CE1 PHE A 106 9.309 0.661 -12.044 1.00 50.41 C ATOM 1741 CE2 PHE A 106 9.225 -1.714 -11.776 1.00 72.34 C ATOM 1742 CZ PHE A 106 8.969 -0.587 -12.532 1.00 45.53 C ATOM 0 H PHE A 106 11.480 -0.106 -6.282 1.00 21.42 H new ATOM 0 HA PHE A 106 9.427 1.201 -7.821 1.00 11.52 H new ATOM 0 HB2 PHE A 106 11.632 0.519 -8.747 1.00 61.33 H new ATOM 0 HB3 PHE A 106 11.269 -1.161 -8.402 1.00 61.33 H new ATOM 0 HD1 PHE A 106 10.170 1.756 -10.429 1.00 43.03 H new ATOM 0 HD2 PHE A 106 10.025 -2.476 -9.950 1.00 33.42 H new ATOM 0 HE1 PHE A 106 9.108 1.544 -12.632 1.00 50.41 H new ATOM 0 HE2 PHE A 106 8.958 -2.690 -12.153 1.00 72.34 H new ATOM 0 HZ PHE A 106 8.504 -0.680 -13.502 1.00 45.53 H new ATOM 1752 N THR A 107 9.019 -1.990 -6.990 1.00 54.12 N ATOM 1753 CA THR A 107 8.023 -3.061 -6.858 1.00 3.34 C ATOM 1754 C THR A 107 6.917 -2.701 -5.850 1.00 73.41 C ATOM 1755 O THR A 107 5.729 -2.826 -6.151 1.00 31.00 O ATOM 1756 CB THR A 107 8.686 -4.397 -6.434 1.00 55.41 C ATOM 1757 OG1 THR A 107 9.655 -4.805 -7.419 1.00 55.13 O ATOM 1758 CG2 THR A 107 7.646 -5.504 -6.257 1.00 54.53 C ATOM 0 H THR A 107 9.961 -2.258 -6.706 1.00 54.12 H new ATOM 0 HA THR A 107 7.569 -3.180 -7.842 1.00 3.34 H new ATOM 0 HB THR A 107 9.181 -4.232 -5.477 1.00 55.41 H new ATOM 0 HG1 THR A 107 10.069 -5.649 -7.141 1.00 55.13 H new ATOM 0 HG21 THR A 107 8.144 -6.427 -5.960 1.00 54.53 H new ATOM 0 HG22 THR A 107 6.932 -5.213 -5.487 1.00 54.53 H new ATOM 0 HG23 THR A 107 7.120 -5.663 -7.198 1.00 54.53 H new ATOM 1766 N LEU A 108 7.312 -2.249 -4.659 1.00 10.43 N ATOM 1767 CA LEU A 108 6.349 -1.891 -3.603 1.00 25.25 C ATOM 1768 C LEU A 108 5.363 -0.810 -4.069 1.00 72.43 C ATOM 1769 O LEU A 108 4.161 -0.906 -3.823 1.00 23.31 O ATOM 1770 CB LEU A 108 7.080 -1.403 -2.344 1.00 51.31 C ATOM 1771 CG LEU A 108 7.931 -2.457 -1.620 1.00 71.14 C ATOM 1772 CD1 LEU A 108 8.612 -1.841 -0.402 1.00 3.33 C ATOM 1773 CD2 LEU A 108 7.076 -3.661 -1.217 1.00 64.45 C ATOM 0 H LEU A 108 8.289 -2.120 -4.396 1.00 10.43 H new ATOM 0 HA LEU A 108 5.784 -2.794 -3.371 1.00 25.25 H new ATOM 0 HB2 LEU A 108 7.725 -0.569 -2.620 1.00 51.31 H new ATOM 0 HB3 LEU A 108 6.340 -1.016 -1.643 1.00 51.31 H new ATOM 0 HG LEU A 108 8.703 -2.809 -2.304 1.00 71.14 H new ATOM 0 HD11 LEU A 108 9.212 -2.599 0.102 1.00 3.33 H new ATOM 0 HD12 LEU A 108 9.256 -1.022 -0.721 1.00 3.33 H new ATOM 0 HD13 LEU A 108 7.855 -1.462 0.285 1.00 3.33 H new ATOM 0 HD21 LEU A 108 7.699 -4.395 -0.706 1.00 64.45 H new ATOM 0 HD22 LEU A 108 6.279 -3.334 -0.550 1.00 64.45 H new ATOM 0 HD23 LEU A 108 6.641 -4.113 -2.108 1.00 64.45 H new ATOM 1785 N ARG A 109 5.885 0.216 -4.737 1.00 61.41 N ATOM 1786 CA ARG A 109 5.065 1.324 -5.241 1.00 62.01 C ATOM 1787 C ARG A 109 3.920 0.821 -6.138 1.00 51.23 C ATOM 1788 O ARG A 109 2.771 1.252 -6.004 1.00 22.40 O ATOM 1789 CB ARG A 109 5.954 2.307 -6.015 1.00 1.01 C ATOM 1790 CG ARG A 109 5.214 3.517 -6.578 1.00 2.45 C ATOM 1791 CD ARG A 109 6.157 4.447 -7.334 1.00 30.54 C ATOM 1792 NE ARG A 109 6.818 3.765 -8.443 1.00 1.35 N ATOM 1793 CZ ARG A 109 8.067 3.932 -8.778 1.00 55.20 C ATOM 1794 NH1 ARG A 109 8.834 4.730 -8.109 1.00 53.24 N ATOM 1795 NH2 ARG A 109 8.546 3.282 -9.785 1.00 24.11 N ATOM 0 H ARG A 109 6.879 0.306 -4.945 1.00 61.41 H new ATOM 0 HA ARG A 109 4.613 1.830 -4.388 1.00 62.01 H new ATOM 0 HB2 ARG A 109 6.748 2.657 -5.355 1.00 1.01 H new ATOM 0 HB3 ARG A 109 6.433 1.775 -6.837 1.00 1.01 H new ATOM 0 HG2 ARG A 109 4.420 3.181 -7.245 1.00 2.45 H new ATOM 0 HG3 ARG A 109 4.737 4.064 -5.765 1.00 2.45 H new ATOM 0 HD2 ARG A 109 5.597 5.301 -7.715 1.00 30.54 H new ATOM 0 HD3 ARG A 109 6.908 4.838 -6.648 1.00 30.54 H new ATOM 0 HE ARG A 109 6.263 3.111 -8.995 1.00 1.35 H new ATOM 0 HH11 ARG A 109 8.464 5.240 -7.307 1.00 53.24 H new ATOM 0 HH12 ARG A 109 9.809 4.850 -8.384 1.00 53.24 H new ATOM 0 HH21 ARG A 109 7.949 2.644 -10.311 1.00 24.11 H new ATOM 0 HH22 ARG A 109 9.522 3.406 -10.055 1.00 24.11 H new ATOM 1809 N THR A 110 4.241 -0.095 -7.048 1.00 23.34 N ATOM 1810 CA THR A 110 3.242 -0.670 -7.957 1.00 72.23 C ATOM 1811 C THR A 110 2.281 -1.618 -7.220 1.00 3.35 C ATOM 1812 O THR A 110 1.062 -1.527 -7.373 1.00 51.01 O ATOM 1813 CB THR A 110 3.916 -1.432 -9.126 1.00 53.20 C ATOM 1814 OG1 THR A 110 4.755 -0.539 -9.876 1.00 53.34 O ATOM 1815 CG2 THR A 110 2.878 -2.057 -10.057 1.00 1.30 C ATOM 0 H THR A 110 5.185 -0.458 -7.179 1.00 23.34 H new ATOM 0 HA THR A 110 2.669 0.166 -8.359 1.00 72.23 H new ATOM 0 HB THR A 110 4.519 -2.233 -8.697 1.00 53.20 H new ATOM 0 HG1 THR A 110 5.179 -1.029 -10.612 1.00 53.34 H new ATOM 0 HG21 THR A 110 3.385 -2.584 -10.866 1.00 1.30 H new ATOM 0 HG22 THR A 110 2.262 -2.760 -9.496 1.00 1.30 H new ATOM 0 HG23 THR A 110 2.245 -1.274 -10.475 1.00 1.30 H new ATOM 1823 N GLN A 111 2.835 -2.521 -6.409 1.00 62.53 N ATOM 1824 CA GLN A 111 2.026 -3.495 -5.659 1.00 43.41 C ATOM 1825 C GLN A 111 1.017 -2.799 -4.731 1.00 71.05 C ATOM 1826 O GLN A 111 -0.176 -3.113 -4.744 1.00 25.22 O ATOM 1827 CB GLN A 111 2.931 -4.430 -4.843 1.00 34.31 C ATOM 1828 CG GLN A 111 3.865 -5.291 -5.694 1.00 13.42 C ATOM 1829 CD GLN A 111 3.122 -6.247 -6.615 1.00 3.00 C ATOM 1830 OE1 GLN A 111 2.020 -6.691 -6.316 1.00 33.50 O ATOM 1831 NE2 GLN A 111 3.725 -6.585 -7.737 1.00 1.43 N ATOM 0 H GLN A 111 3.840 -2.601 -6.252 1.00 62.53 H new ATOM 0 HA GLN A 111 1.465 -4.083 -6.386 1.00 43.41 H new ATOM 0 HB2 GLN A 111 3.530 -3.831 -4.157 1.00 34.31 H new ATOM 0 HB3 GLN A 111 2.306 -5.083 -4.234 1.00 34.31 H new ATOM 0 HG2 GLN A 111 4.503 -4.641 -6.293 1.00 13.42 H new ATOM 0 HG3 GLN A 111 4.520 -5.864 -5.038 1.00 13.42 H new ATOM 0 HE21 GLN A 111 4.643 -6.199 -7.959 1.00 1.43 H new ATOM 0 HE22 GLN A 111 3.274 -7.233 -8.383 1.00 1.43 H new ATOM 1840 N TYR A 112 1.498 -1.846 -3.933 1.00 64.23 N ATOM 1841 CA TYR A 112 0.627 -1.083 -3.030 1.00 1.32 C ATOM 1842 C TYR A 112 -0.495 -0.394 -3.816 1.00 13.12 C ATOM 1843 O TYR A 112 -1.647 -0.367 -3.380 1.00 53.04 O ATOM 1844 CB TYR A 112 1.445 -0.037 -2.259 1.00 13.31 C ATOM 1845 CG TYR A 112 0.654 0.705 -1.190 1.00 33.14 C ATOM 1846 CD1 TYR A 112 0.529 0.185 0.092 1.00 54.43 C ATOM 1847 CD2 TYR A 112 0.046 1.930 -1.459 1.00 54.42 C ATOM 1848 CE1 TYR A 112 -0.181 0.851 1.070 1.00 70.31 C ATOM 1849 CE2 TYR A 112 -0.664 2.604 -0.483 1.00 31.34 C ATOM 1850 CZ TYR A 112 -0.772 2.061 0.782 1.00 20.34 C ATOM 1851 OH TYR A 112 -1.474 2.726 1.760 1.00 21.52 O ATOM 0 H TYR A 112 2.482 -1.582 -3.891 1.00 64.23 H new ATOM 0 HA TYR A 112 0.179 -1.777 -2.319 1.00 1.32 H new ATOM 0 HB2 TYR A 112 2.296 -0.531 -1.789 1.00 13.31 H new ATOM 0 HB3 TYR A 112 1.848 0.688 -2.967 1.00 13.31 H new ATOM 0 HD1 TYR A 112 0.997 -0.759 0.328 1.00 54.43 H new ATOM 0 HD2 TYR A 112 0.131 2.360 -2.446 1.00 54.42 H new ATOM 0 HE1 TYR A 112 -0.273 0.425 2.058 1.00 70.31 H new ATOM 0 HE2 TYR A 112 -1.132 3.551 -0.709 1.00 31.34 H new ATOM 0 HH TYR A 112 -1.664 3.640 1.462 1.00 21.52 H new ATOM 1861 N MET A 113 -0.145 0.145 -4.983 1.00 21.10 N ATOM 1862 CA MET A 113 -1.105 0.841 -5.848 1.00 70.25 C ATOM 1863 C MET A 113 -2.235 -0.093 -6.315 1.00 54.24 C ATOM 1864 O MET A 113 -3.385 0.326 -6.461 1.00 53.05 O ATOM 1865 CB MET A 113 -0.374 1.432 -7.058 1.00 74.01 C ATOM 1866 CG MET A 113 -1.233 2.346 -7.921 1.00 43.14 C ATOM 1867 SD MET A 113 -0.321 3.029 -9.319 1.00 64.03 S ATOM 1868 CE MET A 113 1.065 3.802 -8.482 1.00 22.43 C ATOM 0 H MET A 113 0.804 0.114 -5.356 1.00 21.10 H new ATOM 0 HA MET A 113 -1.562 1.642 -5.267 1.00 70.25 H new ATOM 0 HB2 MET A 113 0.493 1.992 -6.707 1.00 74.01 H new ATOM 0 HB3 MET A 113 0.002 0.616 -7.675 1.00 74.01 H new ATOM 0 HG2 MET A 113 -2.094 1.789 -8.290 1.00 43.14 H new ATOM 0 HG3 MET A 113 -1.619 3.161 -7.309 1.00 43.14 H new ATOM 0 HE1 MET A 113 1.682 4.329 -9.210 1.00 22.43 H new ATOM 0 HE2 MET A 113 0.694 4.510 -7.741 1.00 22.43 H new ATOM 0 HE3 MET A 113 1.663 3.037 -7.986 1.00 22.43 H new ATOM 1878 N LYS A 114 -1.902 -1.358 -6.544 1.00 55.44 N ATOM 1879 CA LYS A 114 -2.880 -2.347 -7.007 1.00 45.33 C ATOM 1880 C LYS A 114 -3.806 -2.828 -5.874 1.00 74.31 C ATOM 1881 O LYS A 114 -5.028 -2.846 -6.023 1.00 3.22 O ATOM 1882 CB LYS A 114 -2.151 -3.554 -7.617 1.00 74.24 C ATOM 1883 CG LYS A 114 -1.251 -3.201 -8.798 1.00 0.23 C ATOM 1884 CD LYS A 114 -0.443 -4.405 -9.286 1.00 23.21 C ATOM 1885 CE LYS A 114 -1.340 -5.536 -9.781 1.00 72.14 C ATOM 1886 NZ LYS A 114 -0.549 -6.679 -10.311 1.00 64.43 N ATOM 0 H LYS A 114 -0.960 -1.728 -6.417 1.00 55.44 H new ATOM 0 HA LYS A 114 -3.501 -1.861 -7.759 1.00 45.33 H new ATOM 0 HB2 LYS A 114 -1.549 -4.031 -6.844 1.00 74.24 H new ATOM 0 HB3 LYS A 114 -2.890 -4.286 -7.942 1.00 74.24 H new ATOM 0 HG2 LYS A 114 -1.861 -2.819 -9.616 1.00 0.23 H new ATOM 0 HG3 LYS A 114 -0.570 -2.401 -8.508 1.00 0.23 H new ATOM 0 HD2 LYS A 114 0.223 -4.092 -10.091 1.00 23.21 H new ATOM 0 HD3 LYS A 114 0.187 -4.771 -8.475 1.00 23.21 H new ATOM 0 HE2 LYS A 114 -1.974 -5.881 -8.964 1.00 72.14 H new ATOM 0 HE3 LYS A 114 -2.002 -5.160 -10.561 1.00 72.14 H new ATOM 0 HZ1 LYS A 114 -1.195 -7.426 -10.637 1.00 64.43 H new ATOM 0 HZ2 LYS A 114 0.037 -6.356 -11.107 1.00 64.43 H new ATOM 0 HZ3 LYS A 114 0.064 -7.055 -9.560 1.00 64.43 H new ATOM 1900 N TYR A 115 -3.214 -3.212 -4.741 1.00 31.53 N ATOM 1901 CA TYR A 115 -3.962 -3.880 -3.662 1.00 20.25 C ATOM 1902 C TYR A 115 -4.519 -2.905 -2.604 1.00 10.12 C ATOM 1903 O TYR A 115 -5.707 -2.944 -2.282 1.00 2.25 O ATOM 1904 CB TYR A 115 -3.059 -4.919 -2.972 1.00 20.52 C ATOM 1905 CG TYR A 115 -2.575 -6.034 -3.891 1.00 3.31 C ATOM 1906 CD1 TYR A 115 -1.614 -5.789 -4.866 1.00 24.02 C ATOM 1907 CD2 TYR A 115 -3.077 -7.330 -3.786 1.00 52.45 C ATOM 1908 CE1 TYR A 115 -1.170 -6.791 -5.705 1.00 3.14 C ATOM 1909 CE2 TYR A 115 -2.633 -8.341 -4.622 1.00 12.41 C ATOM 1910 CZ TYR A 115 -1.679 -8.065 -5.582 1.00 24.42 C ATOM 1911 OH TYR A 115 -1.227 -9.065 -6.420 1.00 51.23 O ATOM 0 H TYR A 115 -2.223 -3.075 -4.543 1.00 31.53 H new ATOM 0 HA TYR A 115 -4.820 -4.361 -4.132 1.00 20.25 H new ATOM 0 HB2 TYR A 115 -2.193 -4.409 -2.551 1.00 20.52 H new ATOM 0 HB3 TYR A 115 -3.604 -5.361 -2.138 1.00 20.52 H new ATOM 0 HD1 TYR A 115 -1.207 -4.794 -4.969 1.00 24.02 H new ATOM 0 HD2 TYR A 115 -3.826 -7.550 -3.039 1.00 52.45 H new ATOM 0 HE1 TYR A 115 -0.425 -6.576 -6.457 1.00 3.14 H new ATOM 0 HE2 TYR A 115 -3.031 -9.340 -4.524 1.00 12.41 H new ATOM 0 HH TYR A 115 -1.684 -9.905 -6.204 1.00 51.23 H new ATOM 1921 N LEU A 116 -3.669 -2.028 -2.070 1.00 22.32 N ATOM 1922 CA LEU A 116 -4.034 -1.225 -0.886 1.00 43.11 C ATOM 1923 C LEU A 116 -4.443 0.220 -1.228 1.00 13.22 C ATOM 1924 O LEU A 116 -5.198 0.847 -0.480 1.00 42.22 O ATOM 1925 CB LEU A 116 -2.869 -1.223 0.111 1.00 35.11 C ATOM 1926 CG LEU A 116 -2.478 -2.608 0.653 1.00 74.13 C ATOM 1927 CD1 LEU A 116 -1.241 -2.514 1.534 1.00 12.25 C ATOM 1928 CD2 LEU A 116 -3.639 -3.232 1.425 1.00 35.52 C ATOM 0 H LEU A 116 -2.731 -1.851 -2.428 1.00 22.32 H new ATOM 0 HA LEU A 116 -4.913 -1.694 -0.443 1.00 43.11 H new ATOM 0 HB2 LEU A 116 -1.998 -0.779 -0.371 1.00 35.11 H new ATOM 0 HB3 LEU A 116 -3.131 -0.581 0.952 1.00 35.11 H new ATOM 0 HG LEU A 116 -2.244 -3.250 -0.196 1.00 74.13 H new ATOM 0 HD11 LEU A 116 -0.983 -3.506 1.906 1.00 12.25 H new ATOM 0 HD12 LEU A 116 -0.409 -2.117 0.952 1.00 12.25 H new ATOM 0 HD13 LEU A 116 -1.443 -1.852 2.376 1.00 12.25 H new ATOM 0 HD21 LEU A 116 -3.342 -4.211 1.800 1.00 35.52 H new ATOM 0 HD22 LEU A 116 -3.906 -2.588 2.263 1.00 35.52 H new ATOM 0 HD23 LEU A 116 -4.498 -3.342 0.764 1.00 35.52 H new ATOM 1940 N TYR A 117 -3.961 0.741 -2.355 1.00 70.35 N ATOM 1941 CA TYR A 117 -4.282 2.115 -2.779 1.00 2.15 C ATOM 1942 C TYR A 117 -5.805 2.369 -2.854 1.00 52.42 C ATOM 1943 O TYR A 117 -6.279 3.402 -2.370 1.00 63.14 O ATOM 1944 CB TYR A 117 -3.623 2.431 -4.127 1.00 25.13 C ATOM 1945 CG TYR A 117 -4.096 3.726 -4.763 1.00 42.55 C ATOM 1946 CD1 TYR A 117 -3.666 4.959 -4.287 1.00 34.22 C ATOM 1947 CD2 TYR A 117 -4.982 3.709 -5.838 1.00 51.13 C ATOM 1948 CE1 TYR A 117 -4.101 6.137 -4.865 1.00 54.00 C ATOM 1949 CE2 TYR A 117 -5.420 4.881 -6.418 1.00 72.20 C ATOM 1950 CZ TYR A 117 -4.979 6.091 -5.928 1.00 44.12 C ATOM 1951 OH TYR A 117 -5.418 7.256 -6.504 1.00 2.30 O ATOM 0 H TYR A 117 -3.347 0.238 -2.995 1.00 70.35 H new ATOM 0 HA TYR A 117 -3.880 2.784 -2.018 1.00 2.15 H new ATOM 0 HB2 TYR A 117 -2.543 2.481 -3.988 1.00 25.13 H new ATOM 0 HB3 TYR A 117 -3.818 1.609 -4.816 1.00 25.13 H new ATOM 0 HD1 TYR A 117 -2.981 4.997 -3.453 1.00 34.22 H new ATOM 0 HD2 TYR A 117 -5.332 2.763 -6.223 1.00 51.13 H new ATOM 0 HE1 TYR A 117 -3.756 7.088 -4.487 1.00 54.00 H new ATOM 0 HE2 TYR A 117 -6.105 4.851 -7.252 1.00 72.20 H new ATOM 0 HH TYR A 117 -6.030 7.047 -7.240 1.00 2.30 H new ATOM 1961 N PRO A 118 -6.599 1.454 -3.472 1.00 51.30 N ATOM 1962 CA PRO A 118 -8.066 1.582 -3.479 1.00 73.05 C ATOM 1963 C PRO A 118 -8.629 1.855 -2.077 1.00 3.12 C ATOM 1964 O PRO A 118 -9.493 2.718 -1.892 1.00 20.44 O ATOM 1965 CB PRO A 118 -8.534 0.212 -3.991 1.00 64.01 C ATOM 1966 CG PRO A 118 -7.416 -0.267 -4.851 1.00 74.24 C ATOM 1967 CD PRO A 118 -6.151 0.251 -4.215 1.00 60.55 C ATOM 0 HA PRO A 118 -8.405 2.419 -4.089 1.00 73.05 H new ATOM 0 HB2 PRO A 118 -8.724 -0.476 -3.167 1.00 64.01 H new ATOM 0 HB3 PRO A 118 -9.462 0.296 -4.557 1.00 64.01 H new ATOM 0 HG2 PRO A 118 -7.407 -1.355 -4.908 1.00 74.24 H new ATOM 0 HG3 PRO A 118 -7.521 0.105 -5.870 1.00 74.24 H new ATOM 0 HD2 PRO A 118 -5.706 -0.488 -3.549 1.00 60.55 H new ATOM 0 HD3 PRO A 118 -5.399 0.500 -4.964 1.00 60.55 H new ATOM 1975 N TYR A 119 -8.100 1.134 -1.090 1.00 3.22 N ATOM 1976 CA TYR A 119 -8.562 1.245 0.296 1.00 52.24 C ATOM 1977 C TYR A 119 -8.107 2.575 0.929 1.00 32.31 C ATOM 1978 O TYR A 119 -8.884 3.237 1.622 1.00 61.42 O ATOM 1979 CB TYR A 119 -8.033 0.053 1.108 1.00 41.13 C ATOM 1980 CG TYR A 119 -8.772 -0.204 2.413 1.00 62.23 C ATOM 1981 CD1 TYR A 119 -8.387 0.419 3.596 1.00 43.23 C ATOM 1982 CD2 TYR A 119 -9.850 -1.084 2.459 1.00 70.42 C ATOM 1983 CE1 TYR A 119 -9.054 0.172 4.782 1.00 5.43 C ATOM 1984 CE2 TYR A 119 -10.522 -1.332 3.641 1.00 13.33 C ATOM 1985 CZ TYR A 119 -10.121 -0.703 4.799 1.00 53.33 C ATOM 1986 OH TYR A 119 -10.789 -0.954 5.980 1.00 74.21 O ATOM 0 H TYR A 119 -7.345 0.461 -1.224 1.00 3.22 H new ATOM 0 HA TYR A 119 -9.652 1.232 0.304 1.00 52.24 H new ATOM 0 HB2 TYR A 119 -8.090 -0.844 0.491 1.00 41.13 H new ATOM 0 HB3 TYR A 119 -6.979 0.221 1.330 1.00 41.13 H new ATOM 0 HD1 TYR A 119 -7.554 1.106 3.588 1.00 43.23 H new ATOM 0 HD2 TYR A 119 -10.167 -1.582 1.555 1.00 70.42 H new ATOM 0 HE1 TYR A 119 -8.741 0.662 5.692 1.00 5.43 H new ATOM 0 HE2 TYR A 119 -11.358 -2.016 3.657 1.00 13.33 H new ATOM 0 HH TYR A 119 -11.515 -1.592 5.816 1.00 74.21 H new ATOM 1996 N GLU A 120 -6.849 2.960 0.677 1.00 20.43 N ATOM 1997 CA GLU A 120 -6.292 4.209 1.222 1.00 33.25 C ATOM 1998 C GLU A 120 -7.127 5.426 0.800 1.00 32.31 C ATOM 1999 O GLU A 120 -7.648 6.153 1.643 1.00 1.22 O ATOM 2000 CB GLU A 120 -4.842 4.417 0.756 1.00 60.04 C ATOM 2001 CG GLU A 120 -4.217 5.716 1.277 1.00 54.12 C ATOM 2002 CD GLU A 120 -2.901 6.073 0.596 1.00 55.23 C ATOM 2003 OE1 GLU A 120 -1.910 5.344 0.790 1.00 13.34 O ATOM 2004 OE2 GLU A 120 -2.855 7.090 -0.130 1.00 54.34 O ATOM 0 H GLU A 120 -6.198 2.427 0.101 1.00 20.43 H new ATOM 0 HA GLU A 120 -6.316 4.118 2.308 1.00 33.25 H new ATOM 0 HB2 GLU A 120 -4.237 3.573 1.087 1.00 60.04 H new ATOM 0 HB3 GLU A 120 -4.815 4.421 -0.334 1.00 60.04 H new ATOM 0 HG2 GLU A 120 -4.924 6.533 1.134 1.00 54.12 H new ATOM 0 HG3 GLU A 120 -4.049 5.624 2.350 1.00 54.12 H new ATOM 2011 N CYS A 121 -7.260 5.623 -0.513 1.00 64.42 N ATOM 2012 CA CYS A 121 -8.001 6.773 -1.059 1.00 3.41 C ATOM 2013 C CYS A 121 -9.489 6.715 -0.680 1.00 62.13 C ATOM 2014 O CYS A 121 -10.154 7.746 -0.561 1.00 74.31 O ATOM 2015 CB CYS A 121 -7.853 6.834 -2.586 1.00 33.53 C ATOM 2016 SG CYS A 121 -8.606 8.292 -3.350 1.00 2.33 S ATOM 0 H CYS A 121 -6.866 5.004 -1.222 1.00 64.42 H new ATOM 0 HA CYS A 121 -7.574 7.675 -0.622 1.00 3.41 H new ATOM 0 HB2 CYS A 121 -6.793 6.813 -2.838 1.00 33.53 H new ATOM 0 HB3 CYS A 121 -8.301 5.939 -3.019 1.00 33.53 H new ATOM 0 HG CYS A 121 -9.577 8.722 -2.600 1.00 2.33 H new ATOM 2022 N GLU A 122 -10.007 5.500 -0.503 1.00 52.11 N ATOM 2023 CA GLU A 122 -11.397 5.297 -0.077 1.00 72.13 C ATOM 2024 C GLU A 122 -11.646 5.852 1.336 1.00 44.31 C ATOM 2025 O GLU A 122 -12.540 6.673 1.544 1.00 2.31 O ATOM 2026 CB GLU A 122 -11.733 3.798 -0.116 1.00 52.01 C ATOM 2027 CG GLU A 122 -13.102 3.429 0.456 1.00 34.23 C ATOM 2028 CD GLU A 122 -14.271 4.070 -0.279 1.00 34.45 C ATOM 2029 OE1 GLU A 122 -14.167 4.306 -1.499 1.00 13.21 O ATOM 2030 OE2 GLU A 122 -15.315 4.310 0.364 1.00 71.41 O ATOM 0 H GLU A 122 -9.485 4.636 -0.648 1.00 52.11 H new ATOM 0 HA GLU A 122 -12.044 5.841 -0.765 1.00 72.13 H new ATOM 0 HB2 GLU A 122 -11.684 3.456 -1.150 1.00 52.01 H new ATOM 0 HB3 GLU A 122 -10.966 3.254 0.436 1.00 52.01 H new ATOM 0 HG2 GLU A 122 -13.217 2.346 0.426 1.00 34.23 H new ATOM 0 HG3 GLU A 122 -13.139 3.725 1.504 1.00 34.23 H new ATOM 2037 N LYS A 123 -10.845 5.406 2.300 1.00 31.24 N ATOM 2038 CA LYS A 123 -11.052 5.769 3.708 1.00 20.32 C ATOM 2039 C LYS A 123 -10.425 7.132 4.054 1.00 2.31 C ATOM 2040 O LYS A 123 -10.936 7.865 4.903 1.00 15.53 O ATOM 2041 CB LYS A 123 -10.465 4.681 4.619 1.00 61.30 C ATOM 2042 CG LYS A 123 -10.981 3.275 4.314 1.00 14.44 C ATOM 2043 CD LYS A 123 -12.495 3.166 4.481 1.00 1.31 C ATOM 2044 CE LYS A 123 -13.005 1.778 4.104 1.00 63.43 C ATOM 2045 NZ LYS A 123 -14.471 1.644 4.318 1.00 23.32 N ATOM 0 H LYS A 123 -10.046 4.793 2.137 1.00 31.24 H new ATOM 0 HA LYS A 123 -12.127 5.850 3.871 1.00 20.32 H new ATOM 0 HB2 LYS A 123 -9.379 4.688 4.524 1.00 61.30 H new ATOM 0 HB3 LYS A 123 -10.696 4.925 5.656 1.00 61.30 H new ATOM 0 HG2 LYS A 123 -10.710 3.004 3.294 1.00 14.44 H new ATOM 0 HG3 LYS A 123 -10.492 2.559 4.975 1.00 14.44 H new ATOM 0 HD2 LYS A 123 -12.764 3.384 5.514 1.00 1.31 H new ATOM 0 HD3 LYS A 123 -12.985 3.915 3.859 1.00 1.31 H new ATOM 0 HE2 LYS A 123 -12.772 1.578 3.058 1.00 63.43 H new ATOM 0 HE3 LYS A 123 -12.482 1.027 4.696 1.00 63.43 H new ATOM 0 HZ1 LYS A 123 -14.775 0.686 4.049 1.00 23.32 H new ATOM 0 HZ2 LYS A 123 -14.692 1.809 5.321 1.00 23.32 H new ATOM 0 HZ3 LYS A 123 -14.972 2.343 3.734 1.00 23.32 H new ATOM 2059 N ARG A 124 -9.317 7.463 3.397 1.00 53.13 N ATOM 2060 CA ARG A 124 -8.570 8.695 3.686 1.00 41.20 C ATOM 2061 C ARG A 124 -8.207 9.462 2.407 1.00 21.31 C ATOM 2062 O ARG A 124 -7.907 8.870 1.373 1.00 50.32 O ATOM 2063 CB ARG A 124 -7.286 8.360 4.462 1.00 32.11 C ATOM 2064 CG ARG A 124 -7.522 7.898 5.895 1.00 4.13 C ATOM 2065 CD ARG A 124 -8.111 9.016 6.748 1.00 72.21 C ATOM 2066 NE ARG A 124 -8.393 8.582 8.112 1.00 71.10 N ATOM 2067 CZ ARG A 124 -8.928 9.348 9.022 1.00 41.43 C ATOM 2068 NH1 ARG A 124 -9.263 10.569 8.746 1.00 4.31 N ATOM 2069 NH2 ARG A 124 -9.143 8.890 10.209 1.00 75.54 N ATOM 0 H ARG A 124 -8.910 6.894 2.655 1.00 53.13 H new ATOM 0 HA ARG A 124 -9.216 9.333 4.288 1.00 41.20 H new ATOM 0 HB2 ARG A 124 -6.744 7.581 3.926 1.00 32.11 H new ATOM 0 HB3 ARG A 124 -6.644 9.241 4.478 1.00 32.11 H new ATOM 0 HG2 ARG A 124 -8.197 7.042 5.897 1.00 4.13 H new ATOM 0 HG3 ARG A 124 -6.581 7.563 6.331 1.00 4.13 H new ATOM 0 HD2 ARG A 124 -7.416 9.856 6.773 1.00 72.21 H new ATOM 0 HD3 ARG A 124 -9.030 9.376 6.286 1.00 72.21 H new ATOM 0 HE ARG A 124 -8.158 7.623 8.369 1.00 71.10 H new ATOM 0 HH11 ARG A 124 -9.109 10.941 7.809 1.00 4.31 H new ATOM 0 HH12 ARG A 124 -9.681 11.158 9.466 1.00 4.31 H new ATOM 0 HH21 ARG A 124 -8.894 7.927 10.437 1.00 75.54 H new ATOM 0 HH22 ARG A 124 -9.561 9.491 10.919 1.00 75.54 H new ATOM 2083 N GLY A 125 -8.215 10.788 2.495 1.00 54.21 N ATOM 2084 CA GLY A 125 -7.833 11.623 1.361 1.00 41.11 C ATOM 2085 C GLY A 125 -6.344 11.952 1.354 1.00 63.05 C ATOM 2086 O GLY A 125 -5.945 13.077 1.049 1.00 24.40 O ATOM 0 H GLY A 125 -8.480 11.305 3.333 1.00 54.21 H new ATOM 0 HA2 GLY A 125 -8.093 11.112 0.434 1.00 41.11 H new ATOM 0 HA3 GLY A 125 -8.407 12.550 1.387 1.00 41.11 H new ATOM 2090 N LEU A 126 -5.519 10.958 1.680 1.00 43.25 N ATOM 2091 CA LEU A 126 -4.067 11.145 1.779 1.00 5.43 C ATOM 2092 C LEU A 126 -3.435 11.437 0.412 1.00 4.30 C ATOM 2093 O LEU A 126 -2.596 12.333 0.280 1.00 45.10 O ATOM 2094 CB LEU A 126 -3.425 9.897 2.396 1.00 51.43 C ATOM 2095 CG LEU A 126 -3.944 9.526 3.794 1.00 4.22 C ATOM 2096 CD1 LEU A 126 -3.351 8.201 4.257 1.00 62.11 C ATOM 2097 CD2 LEU A 126 -3.638 10.634 4.799 1.00 1.20 C ATOM 0 H LEU A 126 -5.831 10.008 1.882 1.00 43.25 H new ATOM 0 HA LEU A 126 -3.884 12.009 2.418 1.00 5.43 H new ATOM 0 HB2 LEU A 126 -3.591 9.053 1.727 1.00 51.43 H new ATOM 0 HB3 LEU A 126 -2.348 10.051 2.454 1.00 51.43 H new ATOM 0 HG LEU A 126 -5.026 9.412 3.733 1.00 4.22 H new ATOM 0 HD11 LEU A 126 -3.732 7.959 5.249 1.00 62.11 H new ATOM 0 HD12 LEU A 126 -3.631 7.413 3.558 1.00 62.11 H new ATOM 0 HD13 LEU A 126 -2.265 8.282 4.296 1.00 62.11 H new ATOM 0 HD21 LEU A 126 -4.015 10.349 5.781 1.00 1.20 H new ATOM 0 HD22 LEU A 126 -2.560 10.787 4.854 1.00 1.20 H new ATOM 0 HD23 LEU A 126 -4.120 11.558 4.480 1.00 1.20 H new ATOM 2109 N SER A 127 -3.833 10.673 -0.601 1.00 43.14 N ATOM 2110 CA SER A 127 -3.336 10.877 -1.968 1.00 60.22 C ATOM 2111 C SER A 127 -4.463 10.770 -3.003 1.00 1.13 C ATOM 2112 O SER A 127 -5.542 10.244 -2.719 1.00 14.35 O ATOM 2113 CB SER A 127 -2.235 9.866 -2.309 1.00 45.23 C ATOM 2114 OG SER A 127 -1.124 9.970 -1.424 1.00 24.31 O ATOM 0 H SER A 127 -4.498 9.906 -0.506 1.00 43.14 H new ATOM 0 HA SER A 127 -2.924 11.885 -2.007 1.00 60.22 H new ATOM 0 HB2 SER A 127 -2.643 8.856 -2.262 1.00 45.23 H new ATOM 0 HB3 SER A 127 -1.899 10.027 -3.333 1.00 45.23 H new ATOM 0 HG SER A 127 -1.026 9.134 -0.922 1.00 24.31 H new ATOM 2120 N ASN A 128 -4.202 11.275 -4.210 1.00 70.43 N ATOM 2121 CA ASN A 128 -5.186 11.248 -5.305 1.00 21.44 C ATOM 2122 C ASN A 128 -4.540 10.735 -6.606 1.00 61.32 C ATOM 2123 O ASN A 128 -3.334 10.892 -6.802 1.00 30.02 O ATOM 2124 CB ASN A 128 -5.761 12.654 -5.546 1.00 33.12 C ATOM 2125 CG ASN A 128 -6.153 13.352 -4.257 1.00 51.32 C ATOM 2126 OD1 ASN A 128 -7.257 13.192 -3.754 1.00 32.32 O ATOM 2127 ND2 ASN A 128 -5.246 14.140 -3.719 1.00 74.03 N ATOM 0 H ASN A 128 -3.314 11.711 -4.459 1.00 70.43 H new ATOM 0 HA ASN A 128 -5.991 10.572 -5.015 1.00 21.44 H new ATOM 0 HB2 ASN A 128 -5.023 13.259 -6.073 1.00 33.12 H new ATOM 0 HB3 ASN A 128 -6.634 12.579 -6.195 1.00 33.12 H new ATOM 0 HD21 ASN A 128 -5.453 14.641 -2.855 1.00 74.03 H new ATOM 0 HD22 ASN A 128 -4.336 14.250 -4.166 1.00 74.03 H new ATOM 2134 N PRO A 129 -5.326 10.137 -7.525 1.00 71.23 N ATOM 2135 CA PRO A 129 -4.794 9.635 -8.809 1.00 62.43 C ATOM 2136 C PRO A 129 -4.186 10.761 -9.667 1.00 74.23 C ATOM 2137 O PRO A 129 -3.207 10.552 -10.389 1.00 53.03 O ATOM 2138 CB PRO A 129 -6.025 9.017 -9.496 1.00 41.52 C ATOM 2139 CG PRO A 129 -7.203 9.639 -8.817 1.00 71.34 C ATOM 2140 CD PRO A 129 -6.775 9.892 -7.397 1.00 3.31 C ATOM 0 HA PRO A 129 -3.981 8.924 -8.666 1.00 62.43 H new ATOM 0 HB2 PRO A 129 -6.028 9.230 -10.565 1.00 41.52 H new ATOM 0 HB3 PRO A 129 -6.034 7.933 -9.387 1.00 41.52 H new ATOM 0 HG2 PRO A 129 -7.492 10.568 -9.309 1.00 71.34 H new ATOM 0 HG3 PRO A 129 -8.068 8.977 -8.852 1.00 71.34 H new ATOM 0 HD2 PRO A 129 -7.293 10.749 -6.966 1.00 3.31 H new ATOM 0 HD3 PRO A 129 -6.984 9.037 -6.754 1.00 3.31 H new ATOM 2148 N ASN A 130 -4.769 11.956 -9.566 1.00 14.31 N ATOM 2149 CA ASN A 130 -4.277 13.135 -10.288 1.00 23.33 C ATOM 2150 C ASN A 130 -2.815 13.447 -9.919 1.00 15.02 C ATOM 2151 O ASN A 130 -1.927 13.428 -10.774 1.00 34.33 O ATOM 2152 CB ASN A 130 -5.164 14.348 -9.973 1.00 73.14 C ATOM 2153 CG ASN A 130 -6.635 14.078 -10.238 1.00 12.11 C ATOM 2154 OD1 ASN A 130 -6.991 13.294 -11.111 1.00 51.02 O ATOM 2155 ND2 ASN A 130 -7.500 14.722 -9.485 1.00 32.33 N ATOM 0 H ASN A 130 -5.589 12.136 -8.987 1.00 14.31 H new ATOM 0 HA ASN A 130 -4.319 12.919 -11.356 1.00 23.33 H new ATOM 0 HB2 ASN A 130 -5.032 14.629 -8.928 1.00 73.14 H new ATOM 0 HB3 ASN A 130 -4.840 15.197 -10.575 1.00 73.14 H new ATOM 0 HD21 ASN A 130 -8.501 14.576 -9.619 1.00 32.33 H new ATOM 0 HD22 ASN A 130 -7.170 15.367 -8.767 1.00 32.33 H new ATOM 2162 N GLU A 131 -2.577 13.716 -8.635 1.00 74.22 N ATOM 2163 CA GLU A 131 -1.231 14.013 -8.130 1.00 0.34 C ATOM 2164 C GLU A 131 -0.302 12.790 -8.249 1.00 65.13 C ATOM 2165 O GLU A 131 0.909 12.931 -8.441 1.00 62.03 O ATOM 2166 CB GLU A 131 -1.317 14.487 -6.671 1.00 53.35 C ATOM 2167 CG GLU A 131 -1.799 13.422 -5.694 1.00 5.04 C ATOM 2168 CD GLU A 131 -2.070 13.983 -4.315 1.00 73.31 C ATOM 2169 OE1 GLU A 131 -2.670 15.074 -4.229 1.00 51.52 O ATOM 2170 OE2 GLU A 131 -1.711 13.334 -3.319 1.00 22.54 O ATOM 0 H GLU A 131 -3.303 13.735 -7.919 1.00 74.22 H new ATOM 0 HA GLU A 131 -0.803 14.808 -8.741 1.00 0.34 H new ATOM 0 HB2 GLU A 131 -0.333 14.835 -6.355 1.00 53.35 H new ATOM 0 HB3 GLU A 131 -1.990 15.343 -6.618 1.00 53.35 H new ATOM 0 HG2 GLU A 131 -2.708 12.963 -6.081 1.00 5.04 H new ATOM 0 HG3 GLU A 131 -1.050 12.634 -5.622 1.00 5.04 H new ATOM 2177 N LEU A 132 -0.882 11.594 -8.119 1.00 4.44 N ATOM 2178 CA LEU A 132 -0.138 10.332 -8.250 1.00 74.43 C ATOM 2179 C LEU A 132 0.684 10.290 -9.549 1.00 51.53 C ATOM 2180 O LEU A 132 1.855 9.904 -9.541 1.00 64.41 O ATOM 2181 CB LEU A 132 -1.122 9.150 -8.204 1.00 4.00 C ATOM 2182 CG LEU A 132 -0.492 7.747 -8.251 1.00 14.42 C ATOM 2183 CD1 LEU A 132 0.428 7.524 -7.053 1.00 23.34 C ATOM 2184 CD2 LEU A 132 -1.577 6.671 -8.310 1.00 10.34 C ATOM 0 H LEU A 132 -1.875 11.470 -7.921 1.00 4.44 H new ATOM 0 HA LEU A 132 0.562 10.260 -7.418 1.00 74.43 H new ATOM 0 HB2 LEU A 132 -1.714 9.231 -7.292 1.00 4.00 H new ATOM 0 HB3 LEU A 132 -1.813 9.245 -9.042 1.00 4.00 H new ATOM 0 HG LEU A 132 0.110 7.675 -9.157 1.00 14.42 H new ATOM 0 HD11 LEU A 132 0.862 6.525 -7.108 1.00 23.34 H new ATOM 0 HD12 LEU A 132 1.225 8.267 -7.063 1.00 23.34 H new ATOM 0 HD13 LEU A 132 -0.145 7.620 -6.131 1.00 23.34 H new ATOM 0 HD21 LEU A 132 -1.111 5.686 -8.343 1.00 10.34 H new ATOM 0 HD22 LEU A 132 -2.210 6.744 -7.426 1.00 10.34 H new ATOM 0 HD23 LEU A 132 -2.184 6.815 -9.204 1.00 10.34 H new ATOM 2196 N GLN A 133 0.070 10.704 -10.658 1.00 41.15 N ATOM 2197 CA GLN A 133 0.754 10.759 -11.957 1.00 54.22 C ATOM 2198 C GLN A 133 2.047 11.593 -11.882 1.00 63.44 C ATOM 2199 O GLN A 133 3.090 11.194 -12.410 1.00 24.34 O ATOM 2200 CB GLN A 133 -0.189 11.345 -13.019 1.00 40.24 C ATOM 2201 CG GLN A 133 0.440 11.479 -14.405 1.00 33.32 C ATOM 2202 CD GLN A 133 0.871 10.145 -14.999 1.00 13.41 C ATOM 2203 OE1 GLN A 133 0.106 9.482 -15.689 1.00 23.23 O ATOM 2204 NE2 GLN A 133 2.100 9.743 -14.735 1.00 50.13 N ATOM 0 H GLN A 133 -0.903 11.008 -10.686 1.00 41.15 H new ATOM 0 HA GLN A 133 1.030 9.742 -12.235 1.00 54.22 H new ATOM 0 HB2 GLN A 133 -1.074 10.713 -13.093 1.00 40.24 H new ATOM 0 HB3 GLN A 133 -0.526 12.327 -12.688 1.00 40.24 H new ATOM 0 HG2 GLN A 133 -0.274 11.955 -15.077 1.00 33.32 H new ATOM 0 HG3 GLN A 133 1.306 12.138 -14.342 1.00 33.32 H new ATOM 0 HE21 GLN A 133 2.712 10.319 -14.157 1.00 50.13 H new ATOM 0 HE22 GLN A 133 2.438 8.856 -15.109 1.00 50.13 H new ATOM 2213 N ALA A 134 1.969 12.746 -11.224 1.00 32.15 N ATOM 2214 CA ALA A 134 3.132 13.628 -11.064 1.00 25.35 C ATOM 2215 C ALA A 134 4.218 12.979 -10.189 1.00 74.11 C ATOM 2216 O ALA A 134 5.415 13.100 -10.466 1.00 54.24 O ATOM 2217 CB ALA A 134 2.700 14.960 -10.466 1.00 34.42 C ATOM 0 H ALA A 134 1.114 13.096 -10.791 1.00 32.15 H new ATOM 0 HA ALA A 134 3.560 13.799 -12.052 1.00 25.35 H new ATOM 0 HB1 ALA A 134 3.570 15.607 -10.351 1.00 34.42 H new ATOM 0 HB2 ALA A 134 1.977 15.438 -11.127 1.00 34.42 H new ATOM 0 HB3 ALA A 134 2.243 14.790 -9.491 1.00 34.42 H new ATOM 2223 N ALA A 135 3.789 12.299 -9.129 1.00 62.22 N ATOM 2224 CA ALA A 135 4.704 11.601 -8.216 1.00 51.20 C ATOM 2225 C ALA A 135 5.520 10.518 -8.941 1.00 22.14 C ATOM 2226 O ALA A 135 6.755 10.504 -8.893 1.00 55.04 O ATOM 2227 CB ALA A 135 3.909 10.976 -7.074 1.00 50.23 C ATOM 0 H ALA A 135 2.805 12.213 -8.876 1.00 62.22 H new ATOM 0 HA ALA A 135 5.408 12.334 -7.821 1.00 51.20 H new ATOM 0 HB1 ALA A 135 4.589 10.459 -6.398 1.00 50.23 H new ATOM 0 HB2 ALA A 135 3.380 11.757 -6.529 1.00 50.23 H new ATOM 0 HB3 ALA A 135 3.189 10.265 -7.479 1.00 50.23 H new ATOM 2233 N ILE A 136 4.811 9.622 -9.620 1.00 73.45 N ATOM 2234 CA ILE A 136 5.429 8.491 -10.318 1.00 12.32 C ATOM 2235 C ILE A 136 6.444 8.950 -11.376 1.00 73.25 C ATOM 2236 O ILE A 136 7.580 8.469 -11.407 1.00 72.54 O ATOM 2237 CB ILE A 136 4.346 7.621 -10.990 1.00 34.20 C ATOM 2238 CG1 ILE A 136 3.330 7.148 -9.937 1.00 12.11 C ATOM 2239 CG2 ILE A 136 4.972 6.430 -11.719 1.00 15.55 C ATOM 2240 CD1 ILE A 136 2.054 6.593 -10.525 1.00 3.43 C ATOM 0 H ILE A 136 3.795 9.656 -9.704 1.00 73.45 H new ATOM 0 HA ILE A 136 5.963 7.906 -9.570 1.00 12.32 H new ATOM 0 HB ILE A 136 3.826 8.224 -11.734 1.00 34.20 H new ATOM 0 HG12 ILE A 136 3.795 6.383 -9.315 1.00 12.11 H new ATOM 0 HG13 ILE A 136 3.084 7.984 -9.283 1.00 12.11 H new ATOM 0 HG21 ILE A 136 4.186 5.834 -12.183 1.00 15.55 H new ATOM 0 HG22 ILE A 136 5.655 6.792 -12.487 1.00 15.55 H new ATOM 0 HG23 ILE A 136 5.521 5.815 -11.006 1.00 15.55 H new ATOM 0 HD11 ILE A 136 1.388 6.281 -9.720 1.00 3.43 H new ATOM 0 HD12 ILE A 136 1.565 7.362 -11.123 1.00 3.43 H new ATOM 0 HD13 ILE A 136 2.287 5.736 -11.156 1.00 3.43 H new ATOM 2252 N ASP A 137 6.038 9.883 -12.239 1.00 55.40 N ATOM 2253 CA ASP A 137 6.920 10.385 -13.300 1.00 63.45 C ATOM 2254 C ASP A 137 8.210 10.986 -12.708 1.00 13.41 C ATOM 2255 O ASP A 137 9.302 10.817 -13.261 1.00 11.54 O ATOM 2256 CB ASP A 137 6.182 11.423 -14.158 1.00 73.34 C ATOM 2257 CG ASP A 137 6.970 11.799 -15.401 1.00 20.20 C ATOM 2258 OD1 ASP A 137 6.918 11.040 -16.395 1.00 74.14 O ATOM 2259 OD2 ASP A 137 7.656 12.841 -15.388 1.00 22.52 O ATOM 0 H ASP A 137 5.110 10.306 -12.227 1.00 55.40 H new ATOM 0 HA ASP A 137 7.203 9.546 -13.935 1.00 63.45 H new ATOM 0 HB2 ASP A 137 5.210 11.026 -14.451 1.00 73.34 H new ATOM 0 HB3 ASP A 137 5.995 12.317 -13.564 1.00 73.34 H new ATOM 2264 N SER A 138 8.080 11.661 -11.564 1.00 53.43 N ATOM 2265 CA SER A 138 9.242 12.204 -10.841 1.00 11.42 C ATOM 2266 C SER A 138 10.235 11.089 -10.477 1.00 54.33 C ATOM 2267 O SER A 138 11.448 11.285 -10.520 1.00 60.15 O ATOM 2268 CB SER A 138 8.796 12.939 -9.569 1.00 10.00 C ATOM 2269 OG SER A 138 7.988 14.069 -9.875 1.00 50.30 O ATOM 0 H SER A 138 7.183 11.847 -11.115 1.00 53.43 H new ATOM 0 HA SER A 138 9.741 12.913 -11.502 1.00 11.42 H new ATOM 0 HB2 SER A 138 8.239 12.255 -8.929 1.00 10.00 H new ATOM 0 HB3 SER A 138 9.673 13.259 -9.006 1.00 10.00 H new ATOM 0 HG SER A 138 7.083 13.771 -10.105 1.00 50.30 H new ATOM 2275 N ASN A 139 9.707 9.914 -10.124 1.00 3.41 N ATOM 2276 CA ASN A 139 10.544 8.736 -9.844 1.00 74.20 C ATOM 2277 C ASN A 139 11.147 8.161 -11.135 1.00 74.13 C ATOM 2278 O ASN A 139 12.291 7.712 -11.151 1.00 50.41 O ATOM 2279 CB ASN A 139 9.727 7.640 -9.144 1.00 51.13 C ATOM 2280 CG ASN A 139 9.387 7.954 -7.696 1.00 0.00 C ATOM 2281 OD1 ASN A 139 9.272 7.051 -6.873 1.00 52.44 O ATOM 2282 ND2 ASN A 139 9.206 9.219 -7.367 1.00 15.15 N ATOM 0 H ASN A 139 8.705 9.749 -10.024 1.00 3.41 H new ATOM 0 HA ASN A 139 11.351 9.064 -9.189 1.00 74.20 H new ATOM 0 HB2 ASN A 139 8.802 7.481 -9.698 1.00 51.13 H new ATOM 0 HB3 ASN A 139 10.286 6.705 -9.181 1.00 51.13 H new ATOM 0 HD21 ASN A 139 8.964 9.467 -6.408 1.00 15.15 H new ATOM 0 HD22 ASN A 139 9.308 9.949 -8.072 1.00 15.15 H new ATOM 2289 N ARG A 140 10.361 8.177 -12.212 1.00 21.43 N ATOM 2290 CA ARG A 140 10.800 7.637 -13.507 1.00 70.20 C ATOM 2291 C ARG A 140 12.034 8.374 -14.046 1.00 71.20 C ATOM 2292 O ARG A 140 12.833 7.801 -14.783 1.00 51.13 O ATOM 2293 CB ARG A 140 9.664 7.726 -14.537 1.00 63.31 C ATOM 2294 CG ARG A 140 8.416 6.936 -14.163 1.00 33.31 C ATOM 2295 CD ARG A 140 8.684 5.438 -14.076 1.00 44.41 C ATOM 2296 NE ARG A 140 9.173 4.882 -15.340 1.00 54.10 N ATOM 2297 CZ ARG A 140 8.494 4.060 -16.095 1.00 22.33 C ATOM 2298 NH1 ARG A 140 7.257 3.794 -15.826 1.00 34.20 N ATOM 2299 NH2 ARG A 140 9.045 3.541 -17.147 1.00 70.33 N ATOM 0 H ARG A 140 9.415 8.558 -12.217 1.00 21.43 H new ATOM 0 HA ARG A 140 11.070 6.594 -13.345 1.00 70.20 H new ATOM 0 HB2 ARG A 140 9.391 8.773 -14.670 1.00 63.31 H new ATOM 0 HB3 ARG A 140 10.032 7.368 -15.498 1.00 63.31 H new ATOM 0 HG2 ARG A 140 8.037 7.291 -13.205 1.00 33.31 H new ATOM 0 HG3 ARG A 140 7.636 7.121 -14.902 1.00 33.31 H new ATOM 0 HD2 ARG A 140 9.417 5.248 -13.292 1.00 44.41 H new ATOM 0 HD3 ARG A 140 7.767 4.924 -13.787 1.00 44.41 H new ATOM 0 HE ARG A 140 10.105 5.155 -15.651 1.00 54.10 H new ATOM 0 HH11 ARG A 140 6.806 4.227 -15.020 1.00 34.20 H new ATOM 0 HH12 ARG A 140 6.733 3.151 -16.420 1.00 34.20 H new ATOM 0 HH21 ARG A 140 10.009 3.774 -17.386 1.00 70.33 H new ATOM 0 HH22 ARG A 140 8.515 2.899 -17.736 1.00 70.33 H new ATOM 2313 N ARG A 141 12.179 9.647 -13.680 1.00 52.10 N ATOM 2314 CA ARG A 141 13.297 10.470 -14.159 1.00 62.11 C ATOM 2315 C ARG A 141 14.653 10.042 -13.551 1.00 25.30 C ATOM 2316 O ARG A 141 15.711 10.432 -14.048 1.00 0.52 O ATOM 2317 CB ARG A 141 13.027 11.949 -13.855 1.00 10.32 C ATOM 2318 CG ARG A 141 14.047 12.894 -14.483 1.00 51.43 C ATOM 2319 CD ARG A 141 13.764 14.354 -14.156 1.00 54.00 C ATOM 2320 NE ARG A 141 14.711 15.243 -14.824 1.00 12.43 N ATOM 2321 CZ ARG A 141 15.347 16.220 -14.236 1.00 60.32 C ATOM 2322 NH1 ARG A 141 15.192 16.446 -12.968 1.00 22.24 N ATOM 2323 NH2 ARG A 141 16.159 16.957 -14.918 1.00 10.21 N ATOM 0 H ARG A 141 11.538 10.134 -13.053 1.00 52.10 H new ATOM 0 HA ARG A 141 13.368 10.321 -15.236 1.00 62.11 H new ATOM 0 HB2 ARG A 141 12.032 12.210 -14.215 1.00 10.32 H new ATOM 0 HB3 ARG A 141 13.024 12.095 -12.775 1.00 10.32 H new ATOM 0 HG2 ARG A 141 15.045 12.633 -14.131 1.00 51.43 H new ATOM 0 HG3 ARG A 141 14.045 12.760 -15.565 1.00 51.43 H new ATOM 0 HD2 ARG A 141 12.748 14.606 -14.461 1.00 54.00 H new ATOM 0 HD3 ARG A 141 13.820 14.504 -13.078 1.00 54.00 H new ATOM 0 HE ARG A 141 14.887 15.090 -15.817 1.00 12.43 H new ATOM 0 HH11 ARG A 141 14.567 15.857 -12.418 1.00 22.24 H new ATOM 0 HH12 ARG A 141 15.695 17.213 -12.521 1.00 22.24 H new ATOM 0 HH21 ARG A 141 16.301 16.775 -15.911 1.00 10.21 H new ATOM 0 HH22 ARG A 141 16.658 17.721 -14.463 1.00 10.21 H new ATOM 2337 N GLU A 142 14.626 9.244 -12.485 1.00 71.34 N ATOM 2338 CA GLU A 142 15.867 8.787 -11.840 1.00 22.20 C ATOM 2339 C GLU A 142 16.616 7.743 -12.691 1.00 25.01 C ATOM 2340 O GLU A 142 16.121 6.642 -12.927 1.00 31.11 O ATOM 2341 CB GLU A 142 15.579 8.206 -10.445 1.00 2.51 C ATOM 2342 CG GLU A 142 15.279 9.254 -9.379 1.00 54.23 C ATOM 2343 CD GLU A 142 15.149 8.651 -7.987 1.00 43.13 C ATOM 2344 OE1 GLU A 142 16.080 7.937 -7.547 1.00 54.33 O ATOM 2345 OE2 GLU A 142 14.125 8.896 -7.315 1.00 32.42 O ATOM 0 H GLU A 142 13.770 8.900 -12.049 1.00 71.34 H new ATOM 0 HA GLU A 142 16.508 9.663 -11.741 1.00 22.20 H new ATOM 0 HB2 GLU A 142 14.732 7.524 -10.516 1.00 2.51 H new ATOM 0 HB3 GLU A 142 16.438 7.615 -10.126 1.00 2.51 H new ATOM 0 HG2 GLU A 142 16.073 10.001 -9.375 1.00 54.23 H new ATOM 0 HG3 GLU A 142 14.355 9.773 -9.634 1.00 54.23 H new ATOM 2352 N GLY A 143 17.824 8.095 -13.136 1.00 44.42 N ATOM 2353 CA GLY A 143 18.648 7.159 -13.900 1.00 62.34 C ATOM 2354 C GLY A 143 18.493 7.308 -15.409 1.00 64.45 C ATOM 2355 O GLY A 143 18.502 6.318 -16.145 1.00 25.32 O ATOM 0 H GLY A 143 18.249 9.010 -12.983 1.00 44.42 H new ATOM 0 HA2 GLY A 143 19.695 7.307 -13.633 1.00 62.34 H new ATOM 0 HA3 GLY A 143 18.387 6.140 -13.614 1.00 62.34 H new ATOM 2359 N ARG A 144 18.356 8.549 -15.874 1.00 45.44 N ATOM 2360 CA ARG A 144 18.173 8.833 -17.303 1.00 64.12 C ATOM 2361 C ARG A 144 19.336 9.672 -17.852 1.00 31.34 C ATOM 2362 O ARG A 144 20.328 9.906 -17.158 1.00 50.23 O ATOM 2363 CB ARG A 144 16.842 9.569 -17.524 1.00 61.52 C ATOM 2364 CG ARG A 144 15.642 8.867 -16.898 1.00 43.51 C ATOM 2365 CD ARG A 144 15.513 7.422 -17.368 1.00 54.35 C ATOM 2366 NE ARG A 144 14.450 6.718 -16.662 1.00 10.50 N ATOM 2367 CZ ARG A 144 14.445 5.434 -16.425 1.00 40.25 C ATOM 2368 NH1 ARG A 144 15.410 4.680 -16.843 1.00 1.34 N ATOM 2369 NH2 ARG A 144 13.464 4.910 -15.769 1.00 44.12 N ATOM 0 H ARG A 144 18.368 9.379 -15.282 1.00 45.44 H new ATOM 0 HA ARG A 144 18.155 7.885 -17.841 1.00 64.12 H new ATOM 0 HB2 ARG A 144 16.920 10.574 -17.110 1.00 61.52 H new ATOM 0 HB3 ARG A 144 16.670 9.677 -18.595 1.00 61.52 H new ATOM 0 HG2 ARG A 144 15.736 8.888 -15.812 1.00 43.51 H new ATOM 0 HG3 ARG A 144 14.732 9.412 -17.149 1.00 43.51 H new ATOM 0 HD2 ARG A 144 15.312 7.404 -18.439 1.00 54.35 H new ATOM 0 HD3 ARG A 144 16.459 6.903 -17.213 1.00 54.35 H new ATOM 0 HE ARG A 144 13.656 7.266 -16.330 1.00 10.50 H new ATOM 0 HH11 ARG A 144 16.186 5.087 -17.364 1.00 1.34 H new ATOM 0 HH12 ARG A 144 15.394 3.678 -16.651 1.00 1.34 H new ATOM 0 HH21 ARG A 144 12.699 5.498 -15.439 1.00 44.12 H new ATOM 0 HH22 ARG A 144 13.454 3.908 -15.581 1.00 44.12 H new ATOM 2383 N ARG A 145 19.213 10.120 -19.102 1.00 53.40 N ATOM 2384 CA ARG A 145 20.257 10.944 -19.729 1.00 4.44 C ATOM 2385 C ARG A 145 19.988 12.452 -19.515 1.00 55.35 C ATOM 2386 O ARG A 145 18.848 12.910 -19.757 1.00 37.96 O ATOM 2387 CB ARG A 145 20.396 10.613 -21.231 1.00 72.45 C ATOM 2388 CG ARG A 145 19.240 11.092 -22.109 1.00 3.13 C ATOM 2389 CD ARG A 145 19.439 10.713 -23.574 1.00 14.15 C ATOM 2390 NE ARG A 145 18.591 11.510 -24.461 1.00 23.44 N ATOM 2391 CZ ARG A 145 17.967 11.048 -25.512 1.00 23.24 C ATOM 2392 NH1 ARG A 145 18.043 9.796 -25.838 1.00 23.30 N ATOM 2393 NH2 ARG A 145 17.270 11.851 -26.245 1.00 3.42 N ATOM 2394 OXT ARG A 145 20.929 13.179 -19.124 1.00 37.96 O ATOM 0 H ARG A 145 18.409 9.930 -19.700 1.00 53.40 H new ATOM 0 HA ARG A 145 21.203 10.705 -19.243 1.00 4.44 H new ATOM 0 HB2 ARG A 145 21.321 11.056 -21.601 1.00 72.45 H new ATOM 0 HB3 ARG A 145 20.493 9.533 -21.342 1.00 72.45 H new ATOM 0 HG2 ARG A 145 18.307 10.661 -21.747 1.00 3.13 H new ATOM 0 HG3 ARG A 145 19.145 12.175 -22.024 1.00 3.13 H new ATOM 0 HD2 ARG A 145 20.485 10.854 -23.847 1.00 14.15 H new ATOM 0 HD3 ARG A 145 19.214 9.655 -23.710 1.00 14.15 H new ATOM 0 HE ARG A 145 18.479 12.500 -24.243 1.00 23.44 H new ATOM 0 HH11 ARG A 145 18.597 9.154 -25.271 1.00 23.30 H new ATOM 0 HH12 ARG A 145 17.549 9.453 -26.662 1.00 23.30 H new ATOM 0 HH21 ARG A 145 17.209 12.840 -26.002 1.00 3.42 H new ATOM 0 HH22 ARG A 145 16.781 11.496 -27.067 1.00 3.42 H new TER 2408 ARG A 145