USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 833 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 99 THR OG1 : rot 180:sc= -0.0212 USER MOD Set 1.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 38 CYS SG : rot 10:sc= 0.0018 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.018) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0.0849 K(o=0.085,f=-1.6!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0163) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -56:sc= 0.118 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS :FLIP no HD1:sc= -0.478 F(o=-1.5,f=-0.48) USER MOD Single : A 25 SER OG : rot 16:sc= 0.527 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00465) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.078 K(o=-0.078,f=-0.6) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 157:sc= -0.0785 (180deg=-0.465) USER MOD Single : A 47 ASN : amide:sc= -0.287 X(o=-0.29,f=0.0058) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0357 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.13) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.689 X(o=-0.69,f=-0.63) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.0851 F(o=-1.1,f=-0.085) USER MOD Single : A 59 CYS SG : rot 31:sc= 0.0267 USER MOD Single : A 61 SER OG : rot -140:sc= -0.0176 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0346 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 85 ASN : amide:sc= -0.317 K(o=-0.32,f=-3.2!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 162:sc= -0.0765 (180deg=-0.491) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.178 K(o=0.18,f=-1.7!) USER MOD Single : A 104 MET CE :methyl -171:sc= -0.012 (180deg=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.867 -5.520 -3.350 1.00 11.45 N ATOM 2 CA MET A 1 -2.049 -5.545 -2.495 1.00 44.50 C ATOM 3 C MET A 1 -2.931 -4.327 -2.752 1.00 40.52 C ATOM 4 O MET A 1 -4.052 -4.455 -3.244 1.00 2.40 O ATOM 5 CB MET A 1 -1.640 -5.590 -1.022 1.00 32.44 C ATOM 6 CG MET A 1 -1.256 -6.980 -0.541 1.00 12.25 C ATOM 7 SD MET A 1 -0.349 -6.949 1.018 1.00 33.13 S ATOM 8 CE MET A 1 1.341 -6.968 0.427 1.00 64.41 C ATOM 0 H1 MET A 1 -0.282 -6.358 -3.158 1.00 11.45 H new ATOM 0 H2 MET A 1 -1.160 -5.524 -4.348 1.00 11.45 H new ATOM 0 H3 MET A 1 -0.315 -4.660 -3.155 1.00 11.45 H new ATOM 0 HA MET A 1 -2.619 -6.443 -2.733 1.00 44.50 H new ATOM 0 HB2 MET A 1 -0.798 -4.915 -0.866 1.00 32.44 H new ATOM 0 HB3 MET A 1 -2.464 -5.218 -0.413 1.00 32.44 H new ATOM 0 HG2 MET A 1 -2.158 -7.581 -0.421 1.00 12.25 H new ATOM 0 HG3 MET A 1 -0.647 -7.468 -1.302 1.00 12.25 H new ATOM 0 HE1 MET A 1 2.024 -6.952 1.277 1.00 64.41 H new ATOM 0 HE2 MET A 1 1.512 -7.871 -0.158 1.00 64.41 H new ATOM 0 HE3 MET A 1 1.518 -6.092 -0.197 1.00 64.41 H new ATOM 18 N GLN A 2 -2.418 -3.149 -2.416 1.00 3.32 N ATOM 19 CA GLN A 2 -3.160 -1.908 -2.610 1.00 62.22 C ATOM 20 C GLN A 2 -2.937 -1.354 -4.013 1.00 62.24 C ATOM 21 O GLN A 2 -1.943 -0.678 -4.272 1.00 24.24 O ATOM 22 CB GLN A 2 -2.743 -0.871 -1.567 1.00 3.22 C ATOM 23 CG GLN A 2 -3.530 -0.962 -0.269 1.00 61.44 C ATOM 24 CD GLN A 2 -4.938 -0.417 -0.401 1.00 72.24 C ATOM 25 OE1 GLN A 2 -5.917 -1.141 -0.210 1.00 43.24 O ATOM 26 NE2 GLN A 2 -5.049 0.865 -0.730 1.00 11.32 N ATOM 0 H GLN A 2 -1.491 -3.027 -2.008 1.00 3.32 H new ATOM 0 HA GLN A 2 -4.221 -2.126 -2.490 1.00 62.22 H new ATOM 0 HB2 GLN A 2 -1.682 -0.994 -1.348 1.00 3.22 H new ATOM 0 HB3 GLN A 2 -2.868 0.126 -1.989 1.00 3.22 H new ATOM 0 HG2 GLN A 2 -3.576 -2.003 0.051 1.00 61.44 H new ATOM 0 HG3 GLN A 2 -3.003 -0.412 0.510 1.00 61.44 H new ATOM 0 HE21 GLN A 2 -4.211 1.428 -0.879 1.00 11.32 H new ATOM 0 HE22 GLN A 2 -5.972 1.287 -0.834 1.00 11.32 H new ATOM 35 N GLU A 3 -3.870 -1.646 -4.915 1.00 30.21 N ATOM 36 CA GLU A 3 -3.774 -1.177 -6.292 1.00 23.55 C ATOM 37 C GLU A 3 -5.102 -0.596 -6.764 1.00 11.53 C ATOM 38 O GLU A 3 -6.082 -0.578 -6.018 1.00 63.41 O ATOM 39 CB GLU A 3 -3.349 -2.322 -7.215 1.00 11.31 C ATOM 40 CG GLU A 3 -1.972 -2.882 -6.898 1.00 41.23 C ATOM 41 CD GLU A 3 -1.785 -4.295 -7.412 1.00 32.51 C ATOM 42 OE1 GLU A 3 -2.694 -5.127 -7.204 1.00 24.31 O ATOM 43 OE2 GLU A 3 -0.730 -4.571 -8.022 1.00 1.52 O ATOM 0 H GLU A 3 -4.700 -2.205 -4.716 1.00 30.21 H new ATOM 0 HA GLU A 3 -3.021 -0.390 -6.329 1.00 23.55 H new ATOM 0 HB2 GLU A 3 -4.083 -3.125 -7.145 1.00 11.31 H new ATOM 0 HB3 GLU A 3 -3.360 -1.969 -8.246 1.00 11.31 H new ATOM 0 HG2 GLU A 3 -1.211 -2.236 -7.337 1.00 41.23 H new ATOM 0 HG3 GLU A 3 -1.818 -2.868 -5.819 1.00 41.23 H new ATOM 50 N GLN A 4 -5.127 -0.120 -8.004 1.00 3.15 N ATOM 51 CA GLN A 4 -6.335 0.465 -8.574 1.00 33.15 C ATOM 52 C GLN A 4 -6.815 -0.342 -9.776 1.00 42.20 C ATOM 53 O GLN A 4 -6.050 -0.610 -10.702 1.00 62.43 O ATOM 54 CB GLN A 4 -6.080 1.915 -8.987 1.00 73.43 C ATOM 55 CG GLN A 4 -6.061 2.887 -7.818 1.00 24.52 C ATOM 56 CD GLN A 4 -5.711 4.300 -8.240 1.00 51.50 C ATOM 57 OE1 GLN A 4 -4.833 4.512 -9.077 1.00 13.10 O ATOM 58 NE2 GLN A 4 -6.399 5.278 -7.660 1.00 24.31 N ATOM 0 H GLN A 4 -4.325 -0.128 -8.634 1.00 3.15 H new ATOM 0 HA GLN A 4 -7.113 0.444 -7.811 1.00 33.15 H new ATOM 0 HB2 GLN A 4 -5.126 1.972 -9.512 1.00 73.43 H new ATOM 0 HB3 GLN A 4 -6.851 2.224 -9.693 1.00 73.43 H new ATOM 0 HG2 GLN A 4 -7.038 2.888 -7.335 1.00 24.52 H new ATOM 0 HG3 GLN A 4 -5.339 2.544 -7.077 1.00 24.52 H new ATOM 0 HE21 GLN A 4 -7.118 5.057 -6.971 1.00 24.31 H new ATOM 0 HE22 GLN A 4 -6.208 6.250 -7.904 1.00 24.31 H new ATOM 67 N VAL A 5 -8.087 -0.727 -9.755 1.00 54.23 N ATOM 68 CA VAL A 5 -8.670 -1.503 -10.843 1.00 63.43 C ATOM 69 C VAL A 5 -9.726 -0.696 -11.589 1.00 65.22 C ATOM 70 O VAL A 5 -10.829 -0.481 -11.086 1.00 21.14 O ATOM 71 CB VAL A 5 -9.306 -2.807 -10.325 1.00 25.23 C ATOM 72 CG1 VAL A 5 -9.782 -3.667 -11.486 1.00 44.33 C ATOM 73 CG2 VAL A 5 -8.320 -3.571 -9.454 1.00 54.45 C ATOM 0 H VAL A 5 -8.734 -0.514 -8.996 1.00 54.23 H new ATOM 0 HA VAL A 5 -7.857 -1.751 -11.526 1.00 63.43 H new ATOM 0 HB VAL A 5 -10.172 -2.551 -9.715 1.00 25.23 H new ATOM 0 HG11 VAL A 5 -10.228 -4.584 -11.101 1.00 44.33 H new ATOM 0 HG12 VAL A 5 -10.524 -3.118 -12.065 1.00 44.33 H new ATOM 0 HG13 VAL A 5 -8.935 -3.917 -12.125 1.00 44.33 H new ATOM 0 HG21 VAL A 5 -8.786 -4.489 -9.097 1.00 54.45 H new ATOM 0 HG22 VAL A 5 -7.433 -3.817 -10.038 1.00 54.45 H new ATOM 0 HG23 VAL A 5 -8.033 -2.954 -8.602 1.00 54.45 H new ATOM 83 N SER A 6 -9.382 -0.251 -12.793 1.00 52.03 N ATOM 84 CA SER A 6 -10.300 0.536 -13.609 1.00 33.52 C ATOM 85 C SER A 6 -11.509 -0.297 -14.021 1.00 74.13 C ATOM 86 O SER A 6 -12.615 -0.097 -13.519 1.00 25.12 O ATOM 87 CB SER A 6 -9.584 1.067 -14.852 1.00 73.34 C ATOM 88 OG SER A 6 -10.490 1.727 -15.719 1.00 64.22 O ATOM 0 H SER A 6 -8.474 -0.422 -13.225 1.00 52.03 H new ATOM 0 HA SER A 6 -10.648 1.379 -13.012 1.00 33.52 H new ATOM 0 HB2 SER A 6 -8.794 1.756 -14.554 1.00 73.34 H new ATOM 0 HB3 SER A 6 -9.106 0.242 -15.380 1.00 73.34 H new ATOM 0 HG SER A 6 -10.008 2.059 -16.505 1.00 64.22 H new ATOM 94 N ASN A 7 -11.292 -1.232 -14.940 1.00 4.50 N ATOM 95 CA ASN A 7 -12.364 -2.095 -15.422 1.00 72.51 C ATOM 96 C ASN A 7 -12.956 -2.916 -14.280 1.00 61.05 C ATOM 97 O ASN A 7 -12.232 -3.410 -13.416 1.00 35.44 O ATOM 98 CB ASN A 7 -11.843 -3.027 -16.518 1.00 3.05 C ATOM 99 CG ASN A 7 -11.228 -2.268 -17.678 1.00 31.33 C ATOM 100 OD1 ASN A 7 -10.128 -1.727 -17.567 1.00 3.52 O ATOM 101 ND2 ASN A 7 -11.937 -2.227 -18.800 1.00 44.31 N ATOM 0 H ASN A 7 -10.383 -1.411 -15.366 1.00 4.50 H new ATOM 0 HA ASN A 7 -13.149 -1.461 -15.836 1.00 72.51 H new ATOM 0 HB2 ASN A 7 -11.100 -3.702 -16.094 1.00 3.05 H new ATOM 0 HB3 ASN A 7 -12.662 -3.645 -16.885 1.00 3.05 H new ATOM 0 HD21 ASN A 7 -11.574 -1.733 -19.615 1.00 44.31 H new ATOM 0 HD22 ASN A 7 -12.845 -2.690 -18.847 1.00 44.31 H new ATOM 108 N VAL A 8 -14.278 -3.056 -14.283 1.00 32.44 N ATOM 109 CA VAL A 8 -14.967 -3.818 -13.250 1.00 54.41 C ATOM 110 C VAL A 8 -14.452 -5.252 -13.186 1.00 13.23 C ATOM 111 O VAL A 8 -13.541 -5.627 -13.923 1.00 25.15 O ATOM 112 CB VAL A 8 -16.489 -3.842 -13.490 1.00 52.12 C ATOM 113 CG1 VAL A 8 -17.105 -2.494 -13.149 1.00 1.04 C ATOM 114 CG2 VAL A 8 -16.793 -4.226 -14.931 1.00 14.44 C ATOM 0 H VAL A 8 -14.892 -2.651 -14.990 1.00 32.44 H new ATOM 0 HA VAL A 8 -14.763 -3.319 -12.302 1.00 54.41 H new ATOM 0 HB VAL A 8 -16.931 -4.593 -12.835 1.00 52.12 H new ATOM 0 HG11 VAL A 8 -18.180 -2.530 -13.325 1.00 1.04 H new ATOM 0 HG12 VAL A 8 -16.916 -2.262 -12.101 1.00 1.04 H new ATOM 0 HG13 VAL A 8 -16.661 -1.722 -13.777 1.00 1.04 H new ATOM 0 HG21 VAL A 8 -17.872 -4.238 -15.084 1.00 14.44 H new ATOM 0 HG22 VAL A 8 -16.339 -3.499 -15.605 1.00 14.44 H new ATOM 0 HG23 VAL A 8 -16.386 -5.216 -15.137 1.00 14.44 H new ATOM 124 N ARG A 9 -15.042 -6.048 -12.301 1.00 32.12 N ATOM 125 CA ARG A 9 -14.642 -7.441 -12.141 1.00 13.32 C ATOM 126 C ARG A 9 -15.852 -8.326 -11.857 1.00 51.12 C ATOM 127 O ARG A 9 -16.818 -7.891 -11.229 1.00 45.21 O ATOM 128 CB ARG A 9 -13.622 -7.574 -11.007 1.00 73.34 C ATOM 129 CG ARG A 9 -14.189 -7.238 -9.637 1.00 63.20 C ATOM 130 CD ARG A 9 -13.867 -8.322 -8.620 1.00 63.15 C ATOM 131 NE ARG A 9 -12.494 -8.226 -8.134 1.00 12.14 N ATOM 132 CZ ARG A 9 -12.067 -7.264 -7.324 1.00 3.31 C ATOM 133 NH1 ARG A 9 -12.902 -6.320 -6.912 1.00 11.32 N ATOM 134 NH2 ARG A 9 -10.802 -7.244 -6.924 1.00 1.52 N ATOM 0 H ARG A 9 -15.798 -5.753 -11.684 1.00 32.12 H new ATOM 0 HA ARG A 9 -14.184 -7.770 -13.074 1.00 13.32 H new ATOM 0 HB2 ARG A 9 -13.238 -8.594 -10.992 1.00 73.34 H new ATOM 0 HB3 ARG A 9 -12.776 -6.918 -11.212 1.00 73.34 H new ATOM 0 HG2 ARG A 9 -13.782 -6.286 -9.297 1.00 63.20 H new ATOM 0 HG3 ARG A 9 -15.270 -7.115 -9.709 1.00 63.20 H new ATOM 0 HD2 ARG A 9 -14.556 -8.246 -7.778 1.00 63.15 H new ATOM 0 HD3 ARG A 9 -14.024 -9.301 -9.072 1.00 63.15 H new ATOM 0 HE ARG A 9 -11.826 -8.937 -8.433 1.00 12.14 H new ATOM 0 HH11 ARG A 9 -13.875 -6.331 -7.217 1.00 11.32 H new ATOM 0 HH12 ARG A 9 -12.571 -5.582 -6.290 1.00 11.32 H new ATOM 0 HH21 ARG A 9 -10.156 -7.968 -7.239 1.00 1.52 H new ATOM 0 HH22 ARG A 9 -10.475 -6.505 -6.302 1.00 1.52 H new ATOM 148 N ALA A 10 -15.794 -9.568 -12.323 1.00 23.10 N ATOM 149 CA ALA A 10 -16.884 -10.514 -12.118 1.00 44.04 C ATOM 150 C ALA A 10 -16.426 -11.707 -11.286 1.00 52.22 C ATOM 151 O ALA A 10 -15.236 -12.019 -11.233 1.00 33.13 O ATOM 152 CB ALA A 10 -17.435 -10.982 -13.458 1.00 14.44 C ATOM 0 H ALA A 10 -15.003 -9.944 -12.846 1.00 23.10 H new ATOM 0 HA ALA A 10 -17.676 -10.005 -11.569 1.00 44.04 H new ATOM 0 HB1 ALA A 10 -18.248 -11.688 -13.290 1.00 14.44 H new ATOM 0 HB2 ALA A 10 -17.809 -10.124 -14.017 1.00 14.44 H new ATOM 0 HB3 ALA A 10 -16.643 -11.469 -14.027 1.00 14.44 H new ATOM 158 N ARG A 11 -17.379 -12.370 -10.638 1.00 23.23 N ATOM 159 CA ARG A 11 -17.072 -13.529 -9.807 1.00 41.55 C ATOM 160 C ARG A 11 -17.832 -14.761 -10.290 1.00 5.44 C ATOM 161 O ARG A 11 -19.028 -14.903 -10.035 1.00 23.34 O ATOM 162 CB ARG A 11 -17.421 -13.240 -8.345 1.00 55.13 C ATOM 163 CG ARG A 11 -16.314 -13.608 -7.371 1.00 54.52 C ATOM 164 CD ARG A 11 -16.739 -13.370 -5.930 1.00 73.14 C ATOM 165 NE ARG A 11 -16.289 -12.073 -5.434 1.00 55.25 N ATOM 166 CZ ARG A 11 -15.028 -11.805 -5.116 1.00 64.33 C ATOM 167 NH1 ARG A 11 -14.096 -12.740 -5.245 1.00 4.51 N ATOM 168 NH2 ARG A 11 -14.695 -10.600 -4.672 1.00 11.40 N ATOM 0 H ARG A 11 -18.369 -12.125 -10.672 1.00 23.23 H new ATOM 0 HA ARG A 11 -16.004 -13.730 -9.886 1.00 41.55 H new ATOM 0 HB2 ARG A 11 -17.650 -12.180 -8.238 1.00 55.13 H new ATOM 0 HB3 ARG A 11 -18.324 -13.790 -8.080 1.00 55.13 H new ATOM 0 HG2 ARG A 11 -16.044 -14.656 -7.504 1.00 54.52 H new ATOM 0 HG3 ARG A 11 -15.423 -13.019 -7.591 1.00 54.52 H new ATOM 0 HD2 ARG A 11 -17.825 -13.429 -5.858 1.00 73.14 H new ATOM 0 HD3 ARG A 11 -16.334 -14.160 -5.298 1.00 73.14 H new ATOM 0 HE ARG A 11 -16.981 -11.332 -5.326 1.00 55.25 H new ATOM 0 HH11 ARG A 11 -14.347 -13.667 -5.589 1.00 4.51 H new ATOM 0 HH12 ARG A 11 -13.128 -12.532 -5.000 1.00 4.51 H new ATOM 0 HH21 ARG A 11 -15.408 -9.877 -4.574 1.00 11.40 H new ATOM 0 HH22 ARG A 11 -13.726 -10.396 -4.428 1.00 11.40 H new ATOM 182 N ILE A 12 -17.129 -15.646 -10.987 1.00 44.33 N ATOM 183 CA ILE A 12 -17.737 -16.865 -11.506 1.00 14.41 C ATOM 184 C ILE A 12 -17.468 -18.049 -10.582 1.00 70.03 C ATOM 185 O ILE A 12 -16.319 -18.346 -10.256 1.00 1.04 O ATOM 186 CB ILE A 12 -17.216 -17.200 -12.916 1.00 1.25 C ATOM 187 CG1 ILE A 12 -17.562 -16.074 -13.892 1.00 14.44 C ATOM 188 CG2 ILE A 12 -17.797 -18.522 -13.395 1.00 65.00 C ATOM 189 CD1 ILE A 12 -16.968 -16.264 -15.269 1.00 62.22 C ATOM 0 H ILE A 12 -16.138 -15.542 -11.206 1.00 44.33 H new ATOM 0 HA ILE A 12 -18.811 -16.684 -11.559 1.00 14.41 H new ATOM 0 HB ILE A 12 -16.131 -17.297 -12.873 1.00 1.25 H new ATOM 0 HG12 ILE A 12 -18.646 -16.001 -13.980 1.00 14.44 H new ATOM 0 HG13 ILE A 12 -17.211 -15.127 -13.481 1.00 14.44 H new ATOM 0 HG21 ILE A 12 -17.419 -18.745 -14.393 1.00 65.00 H new ATOM 0 HG22 ILE A 12 -17.504 -19.318 -12.710 1.00 65.00 H new ATOM 0 HG23 ILE A 12 -18.884 -18.452 -13.426 1.00 65.00 H new ATOM 0 HD11 ILE A 12 -17.255 -15.428 -15.907 1.00 62.22 H new ATOM 0 HD12 ILE A 12 -15.881 -16.307 -15.194 1.00 62.22 H new ATOM 0 HD13 ILE A 12 -17.339 -17.194 -15.700 1.00 62.22 H new ATOM 201 N TYR A 13 -18.535 -18.722 -10.165 1.00 40.34 N ATOM 202 CA TYR A 13 -18.414 -19.872 -9.278 1.00 61.42 C ATOM 203 C TYR A 13 -19.093 -21.098 -9.882 1.00 33.32 C ATOM 204 O TYR A 13 -20.125 -20.989 -10.546 1.00 3.32 O ATOM 205 CB TYR A 13 -19.026 -19.557 -7.913 1.00 30.03 C ATOM 206 CG TYR A 13 -18.657 -20.556 -6.839 1.00 2.31 C ATOM 207 CD1 TYR A 13 -19.311 -21.778 -6.744 1.00 53.33 C ATOM 208 CD2 TYR A 13 -17.652 -20.277 -5.920 1.00 41.02 C ATOM 209 CE1 TYR A 13 -18.977 -22.692 -5.764 1.00 15.22 C ATOM 210 CE2 TYR A 13 -17.311 -21.186 -4.937 1.00 70.01 C ATOM 211 CZ TYR A 13 -17.977 -22.392 -4.863 1.00 4.03 C ATOM 212 OH TYR A 13 -17.640 -23.301 -3.887 1.00 11.14 O ATOM 0 H TYR A 13 -19.493 -18.491 -10.427 1.00 40.34 H new ATOM 0 HA TYR A 13 -17.354 -20.091 -9.151 1.00 61.42 H new ATOM 0 HB2 TYR A 13 -18.704 -18.564 -7.600 1.00 30.03 H new ATOM 0 HB3 TYR A 13 -20.111 -19.524 -8.010 1.00 30.03 H new ATOM 0 HD1 TYR A 13 -20.094 -22.017 -7.448 1.00 53.33 H new ATOM 0 HD2 TYR A 13 -17.129 -19.334 -5.975 1.00 41.02 H new ATOM 0 HE1 TYR A 13 -19.496 -23.637 -5.704 1.00 15.22 H new ATOM 0 HE2 TYR A 13 -16.528 -20.954 -4.231 1.00 70.01 H new ATOM 0 HH TYR A 13 -16.917 -22.936 -3.336 1.00 11.14 H new ATOM 222 N LYS A 14 -18.508 -22.267 -9.646 1.00 13.23 N ATOM 223 CA LYS A 14 -19.055 -23.516 -10.163 1.00 54.32 C ATOM 224 C LYS A 14 -19.494 -24.431 -9.023 1.00 63.11 C ATOM 225 O LYS A 14 -18.725 -25.253 -8.524 1.00 40.43 O ATOM 226 CB LYS A 14 -18.018 -24.229 -11.033 1.00 61.42 C ATOM 227 CG LYS A 14 -18.443 -25.621 -11.467 1.00 31.43 C ATOM 228 CD LYS A 14 -19.768 -25.594 -12.211 1.00 4.24 C ATOM 229 CE LYS A 14 -19.826 -26.668 -13.287 1.00 20.20 C ATOM 230 NZ LYS A 14 -19.706 -28.037 -12.711 1.00 63.14 N ATOM 0 H LYS A 14 -17.654 -22.376 -9.099 1.00 13.23 H new ATOM 0 HA LYS A 14 -19.928 -23.278 -10.771 1.00 54.32 H new ATOM 0 HB2 LYS A 14 -17.822 -23.625 -11.919 1.00 61.42 H new ATOM 0 HB3 LYS A 14 -17.080 -24.300 -10.482 1.00 61.42 H new ATOM 0 HG2 LYS A 14 -17.674 -26.054 -12.107 1.00 31.43 H new ATOM 0 HG3 LYS A 14 -18.529 -26.265 -10.592 1.00 31.43 H new ATOM 0 HD2 LYS A 14 -20.586 -25.740 -11.505 1.00 4.24 H new ATOM 0 HD3 LYS A 14 -19.911 -24.614 -12.666 1.00 4.24 H new ATOM 0 HE2 LYS A 14 -20.766 -26.585 -13.833 1.00 20.20 H new ATOM 0 HE3 LYS A 14 -19.024 -26.505 -14.007 1.00 20.20 H new ATOM 0 HZ1 LYS A 14 -19.851 -28.743 -13.461 1.00 63.14 H new ATOM 0 HZ2 LYS A 14 -18.759 -28.159 -12.300 1.00 63.14 H new ATOM 0 HZ3 LYS A 14 -20.424 -28.166 -11.970 1.00 63.14 H new ATOM 244 N PRO A 15 -20.759 -24.288 -8.603 1.00 13.10 N ATOM 245 CA PRO A 15 -21.329 -25.095 -7.519 1.00 55.41 C ATOM 246 C PRO A 15 -21.524 -26.552 -7.922 1.00 32.42 C ATOM 247 O PRO A 15 -22.022 -26.844 -9.010 1.00 25.35 O ATOM 248 CB PRO A 15 -22.682 -24.428 -7.254 1.00 4.44 C ATOM 249 CG PRO A 15 -23.034 -23.763 -8.539 1.00 73.45 C ATOM 250 CD PRO A 15 -21.731 -23.329 -9.153 1.00 54.42 C ATOM 0 HA PRO A 15 -20.675 -25.126 -6.647 1.00 55.41 H new ATOM 0 HB2 PRO A 15 -23.436 -25.162 -6.968 1.00 4.44 H new ATOM 0 HB3 PRO A 15 -22.615 -23.706 -6.440 1.00 4.44 H new ATOM 0 HG2 PRO A 15 -23.567 -24.447 -9.199 1.00 73.45 H new ATOM 0 HG3 PRO A 15 -23.689 -22.908 -8.369 1.00 73.45 H new ATOM 0 HD2 PRO A 15 -21.766 -23.372 -10.242 1.00 54.42 H new ATOM 0 HD3 PRO A 15 -21.481 -22.303 -8.882 1.00 54.42 H new ATOM 258 N ALA A 16 -21.130 -27.463 -7.039 1.00 53.11 N ATOM 259 CA ALA A 16 -21.264 -28.891 -7.302 1.00 51.32 C ATOM 260 C ALA A 16 -22.712 -29.344 -7.144 1.00 24.42 C ATOM 261 O ALA A 16 -23.541 -28.626 -6.587 1.00 32.34 O ATOM 262 CB ALA A 16 -20.356 -29.686 -6.376 1.00 50.22 C ATOM 0 H ALA A 16 -20.715 -27.238 -6.135 1.00 53.11 H new ATOM 0 HA ALA A 16 -20.963 -29.076 -8.333 1.00 51.32 H new ATOM 0 HB1 ALA A 16 -20.467 -30.750 -6.584 1.00 50.22 H new ATOM 0 HB2 ALA A 16 -19.320 -29.390 -6.540 1.00 50.22 H new ATOM 0 HB3 ALA A 16 -20.630 -29.488 -5.340 1.00 50.22 H new ATOM 268 N LYS A 17 -23.009 -30.542 -7.640 1.00 42.34 N ATOM 269 CA LYS A 17 -24.356 -31.092 -7.554 1.00 74.22 C ATOM 270 C LYS A 17 -24.374 -32.354 -6.698 1.00 14.01 C ATOM 271 O LYS A 17 -25.046 -33.331 -7.029 1.00 24.11 O ATOM 272 CB LYS A 17 -24.892 -31.404 -8.953 1.00 30.31 C ATOM 273 CG LYS A 17 -24.979 -30.187 -9.857 1.00 41.03 C ATOM 274 CD LYS A 17 -23.660 -29.920 -10.562 1.00 1.15 C ATOM 275 CE LYS A 17 -23.865 -29.150 -11.857 1.00 3.51 C ATOM 276 NZ LYS A 17 -24.207 -30.054 -12.990 1.00 41.03 N ATOM 0 H LYS A 17 -22.334 -31.149 -8.105 1.00 42.34 H new ATOM 0 HA LYS A 17 -24.997 -30.346 -7.084 1.00 74.22 H new ATOM 0 HB2 LYS A 17 -24.249 -32.149 -9.422 1.00 30.31 H new ATOM 0 HB3 LYS A 17 -25.882 -31.850 -8.862 1.00 30.31 H new ATOM 0 HG2 LYS A 17 -25.764 -30.338 -10.598 1.00 41.03 H new ATOM 0 HG3 LYS A 17 -25.261 -29.314 -9.268 1.00 41.03 H new ATOM 0 HD2 LYS A 17 -23.002 -29.355 -9.902 1.00 1.15 H new ATOM 0 HD3 LYS A 17 -23.162 -30.866 -10.775 1.00 1.15 H new ATOM 0 HE2 LYS A 17 -24.662 -28.418 -11.723 1.00 3.51 H new ATOM 0 HE3 LYS A 17 -22.959 -28.594 -12.097 1.00 3.51 H new ATOM 0 HZ1 LYS A 17 -24.339 -29.492 -13.855 1.00 41.03 H new ATOM 0 HZ2 LYS A 17 -23.436 -30.736 -13.135 1.00 41.03 H new ATOM 0 HZ3 LYS A 17 -25.086 -30.566 -12.773 1.00 41.03 H new ATOM 290 N SER A 18 -23.633 -32.327 -5.595 1.00 12.40 N ATOM 291 CA SER A 18 -23.562 -33.470 -4.693 1.00 40.50 C ATOM 292 C SER A 18 -24.536 -33.304 -3.529 1.00 71.43 C ATOM 293 O SER A 18 -24.251 -33.709 -2.402 1.00 4.20 O ATOM 294 CB SER A 18 -22.138 -33.638 -4.159 1.00 54.13 C ATOM 295 OG SER A 18 -21.945 -34.935 -3.622 1.00 62.02 O ATOM 0 H SER A 18 -23.073 -31.525 -5.305 1.00 12.40 H new ATOM 0 HA SER A 18 -23.840 -34.362 -5.254 1.00 40.50 H new ATOM 0 HB2 SER A 18 -21.422 -33.463 -4.962 1.00 54.13 H new ATOM 0 HB3 SER A 18 -21.944 -32.890 -3.390 1.00 54.13 H new ATOM 0 HG SER A 18 -22.620 -35.108 -2.933 1.00 62.02 H new ATOM 301 N THR A 19 -25.691 -32.707 -3.813 1.00 24.24 N ATOM 302 CA THR A 19 -26.707 -32.487 -2.792 1.00 61.42 C ATOM 303 C THR A 19 -27.716 -33.629 -2.766 1.00 73.22 C ATOM 304 O THR A 19 -28.085 -34.169 -3.809 1.00 41.51 O ATOM 305 CB THR A 19 -27.456 -31.161 -3.022 1.00 3.13 C ATOM 306 OG1 THR A 19 -26.534 -30.142 -3.425 1.00 0.32 O ATOM 307 CG2 THR A 19 -28.183 -30.724 -1.759 1.00 43.03 C ATOM 0 H THR A 19 -25.945 -32.368 -4.741 1.00 24.24 H new ATOM 0 HA THR A 19 -26.188 -32.442 -1.834 1.00 61.42 H new ATOM 0 HB THR A 19 -28.193 -31.317 -3.810 1.00 3.13 H new ATOM 0 HG1 THR A 19 -27.018 -29.302 -3.571 1.00 0.32 H new ATOM 0 HG21 THR A 19 -28.705 -29.785 -1.946 1.00 43.03 H new ATOM 0 HG22 THR A 19 -28.904 -31.489 -1.471 1.00 43.03 H new ATOM 0 HG23 THR A 19 -27.462 -30.584 -0.954 1.00 43.03 H new ATOM 315 N MET A 20 -28.159 -33.993 -1.567 1.00 74.13 N ATOM 316 CA MET A 20 -29.128 -35.072 -1.407 1.00 52.33 C ATOM 317 C MET A 20 -30.475 -34.527 -0.940 1.00 70.52 C ATOM 318 O MET A 20 -31.511 -34.814 -1.540 1.00 55.33 O ATOM 319 CB MET A 20 -28.610 -36.107 -0.407 1.00 54.31 C ATOM 320 CG MET A 20 -27.808 -37.226 -1.051 1.00 1.50 C ATOM 321 SD MET A 20 -28.834 -38.353 -2.013 1.00 40.40 S ATOM 322 CE MET A 20 -28.950 -39.745 -0.893 1.00 54.32 C ATOM 0 H MET A 20 -27.863 -33.558 -0.693 1.00 74.13 H new ATOM 0 HA MET A 20 -29.265 -35.551 -2.376 1.00 52.33 H new ATOM 0 HB2 MET A 20 -27.988 -35.605 0.334 1.00 54.31 H new ATOM 0 HB3 MET A 20 -29.456 -36.539 0.128 1.00 54.31 H new ATOM 0 HG2 MET A 20 -27.045 -36.794 -1.698 1.00 1.50 H new ATOM 0 HG3 MET A 20 -27.288 -37.788 -0.275 1.00 1.50 H new ATOM 0 HE1 MET A 20 -29.556 -40.528 -1.348 1.00 54.32 H new ATOM 0 HE2 MET A 20 -27.952 -40.132 -0.689 1.00 54.32 H new ATOM 0 HE3 MET A 20 -29.413 -39.424 0.040 1.00 54.32 H new ATOM 332 N GLN A 21 -30.452 -33.742 0.131 1.00 14.42 N ATOM 333 CA GLN A 21 -31.672 -33.159 0.677 1.00 11.24 C ATOM 334 C GLN A 21 -32.203 -32.056 -0.232 1.00 71.35 C ATOM 335 O GLN A 21 -31.450 -31.191 -0.679 1.00 43.02 O ATOM 336 CB GLN A 21 -31.414 -32.601 2.078 1.00 13.03 C ATOM 337 CG GLN A 21 -32.616 -31.894 2.683 1.00 1.01 C ATOM 338 CD GLN A 21 -32.572 -31.862 4.198 1.00 52.10 C ATOM 339 OE1 GLN A 21 -31.499 -31.839 4.799 1.00 25.13 O ATOM 340 NE2 GLN A 21 -33.743 -31.859 4.824 1.00 13.22 N ATOM 0 H GLN A 21 -29.602 -33.495 0.638 1.00 14.42 H new ATOM 0 HA GLN A 21 -32.423 -33.946 0.740 1.00 11.24 H new ATOM 0 HB2 GLN A 21 -31.114 -33.417 2.735 1.00 13.03 H new ATOM 0 HB3 GLN A 21 -30.577 -31.904 2.034 1.00 13.03 H new ATOM 0 HG2 GLN A 21 -32.662 -30.873 2.303 1.00 1.01 H new ATOM 0 HG3 GLN A 21 -33.528 -32.396 2.360 1.00 1.01 H new ATOM 0 HE21 GLN A 21 -34.609 -31.879 4.286 1.00 13.22 H new ATOM 0 HE22 GLN A 21 -33.776 -31.837 5.843 1.00 13.22 H new ATOM 349 N SER A 22 -33.504 -32.093 -0.503 1.00 12.25 N ATOM 350 CA SER A 22 -34.134 -31.098 -1.362 1.00 73.13 C ATOM 351 C SER A 22 -33.507 -31.107 -2.754 1.00 14.25 C ATOM 352 O SER A 22 -33.431 -30.076 -3.419 1.00 12.41 O ATOM 353 CB SER A 22 -34.009 -29.705 -0.744 1.00 53.42 C ATOM 354 OG SER A 22 -34.649 -29.649 0.520 1.00 31.42 O ATOM 0 H SER A 22 -34.142 -32.801 -0.140 1.00 12.25 H new ATOM 0 HA SER A 22 -35.190 -31.352 -1.455 1.00 73.13 H new ATOM 0 HB2 SER A 22 -32.956 -29.446 -0.634 1.00 53.42 H new ATOM 0 HB3 SER A 22 -34.451 -28.966 -1.412 1.00 53.42 H new ATOM 0 HG SER A 22 -34.554 -28.749 0.895 1.00 31.42 H new ATOM 360 N GLY A 23 -33.060 -32.282 -3.187 1.00 31.41 N ATOM 361 CA GLY A 23 -32.445 -32.405 -4.496 1.00 13.45 C ATOM 362 C GLY A 23 -33.322 -31.852 -5.601 1.00 62.54 C ATOM 363 O GLY A 23 -34.531 -32.083 -5.619 1.00 1.50 O ATOM 0 H GLY A 23 -33.113 -33.151 -2.655 1.00 31.41 H new ATOM 0 HA2 GLY A 23 -31.490 -31.879 -4.497 1.00 13.45 H new ATOM 0 HA3 GLY A 23 -32.231 -33.455 -4.697 1.00 13.45 H new ATOM 367 N HIS A 24 -32.712 -31.119 -6.528 1.00 70.41 N ATOM 368 CA HIS A 24 -33.445 -30.531 -7.643 1.00 75.35 C ATOM 369 C HIS A 24 -32.660 -30.672 -8.944 1.00 52.35 C ATOM 370 O HIS A 24 -31.500 -31.082 -8.939 1.00 43.43 O ATOM 371 CB HIS A 24 -33.738 -29.056 -7.367 1.00 40.30 C ATOM 372 CG HIS A 24 -32.542 -28.286 -6.898 1.00 22.03 C ATOM 373 ND1 HIS A 24 -31.245 -28.346 -7.278 1.00 3.52 N flip ATOM 374 CD2 HIS A 24 -32.607 -27.319 -5.917 1.00 21.34 C flip ATOM 375 CE1 HIS A 24 -30.557 -27.423 -6.530 1.00 53.33 C flip ATOM 376 NE2 HIS A 24 -31.401 -26.816 -5.717 1.00 22.31 N flip ATOM 0 H HIS A 24 -31.712 -30.918 -6.528 1.00 70.41 H new ATOM 0 HA HIS A 24 -34.388 -31.067 -7.749 1.00 75.35 H new ATOM 0 HB2 HIS A 24 -34.124 -28.594 -8.276 1.00 40.30 H new ATOM 0 HB3 HIS A 24 -34.524 -28.985 -6.615 1.00 40.30 H new ATOM 0 HD2 HIS A 24 -33.503 -27.019 -5.394 1.00 21.34 H new ATOM 0 HE1 HIS A 24 -29.497 -27.226 -6.596 1.00 53.33 H new ATOM 0 HE2 HIS A 24 -31.163 -26.083 -5.048 1.00 22.31 H new ATOM 384 N SER A 25 -33.303 -30.329 -10.056 1.00 20.11 N ATOM 385 CA SER A 25 -32.666 -30.421 -11.365 1.00 31.11 C ATOM 386 C SER A 25 -33.297 -29.438 -12.346 1.00 41.13 C ATOM 387 O SER A 25 -34.243 -28.725 -12.008 1.00 23.32 O ATOM 388 CB SER A 25 -32.779 -31.846 -11.912 1.00 15.34 C ATOM 389 OG SER A 25 -31.804 -32.693 -11.329 1.00 64.21 O ATOM 0 H SER A 25 -34.263 -29.985 -10.077 1.00 20.11 H new ATOM 0 HA SER A 25 -31.613 -30.166 -11.247 1.00 31.11 H new ATOM 0 HB2 SER A 25 -33.775 -32.239 -11.709 1.00 15.34 H new ATOM 0 HB3 SER A 25 -32.655 -31.834 -12.995 1.00 15.34 H new ATOM 0 HG SER A 25 -31.438 -32.267 -10.526 1.00 64.21 H new ATOM 395 N LYS A 26 -32.766 -29.404 -13.564 1.00 35.11 N ATOM 396 CA LYS A 26 -33.276 -28.510 -14.597 1.00 4.23 C ATOM 397 C LYS A 26 -33.245 -27.060 -14.125 1.00 43.22 C ATOM 398 O LYS A 26 -34.289 -26.445 -13.906 1.00 52.20 O ATOM 399 CB LYS A 26 -34.704 -28.901 -14.981 1.00 34.31 C ATOM 400 CG LYS A 26 -34.780 -30.129 -15.872 1.00 4.01 C ATOM 401 CD LYS A 26 -34.830 -31.409 -15.055 1.00 72.42 C ATOM 402 CE LYS A 26 -34.247 -32.584 -15.825 1.00 31.21 C ATOM 403 NZ LYS A 26 -35.202 -33.113 -16.838 1.00 11.32 N ATOM 0 H LYS A 26 -31.982 -29.986 -13.860 1.00 35.11 H new ATOM 0 HA LYS A 26 -32.633 -28.604 -15.472 1.00 4.23 H new ATOM 0 HB2 LYS A 26 -35.278 -29.085 -14.073 1.00 34.31 H new ATOM 0 HB3 LYS A 26 -35.177 -28.062 -15.492 1.00 34.31 H new ATOM 0 HG2 LYS A 26 -35.665 -30.066 -16.505 1.00 4.01 H new ATOM 0 HG3 LYS A 26 -33.915 -30.153 -16.535 1.00 4.01 H new ATOM 0 HD2 LYS A 26 -34.277 -31.271 -14.126 1.00 72.42 H new ATOM 0 HD3 LYS A 26 -35.862 -31.628 -14.782 1.00 72.42 H new ATOM 0 HE2 LYS A 26 -33.327 -32.273 -16.321 1.00 31.21 H new ATOM 0 HE3 LYS A 26 -33.980 -33.378 -15.128 1.00 31.21 H new ATOM 0 HZ1 LYS A 26 -34.767 -33.913 -17.341 1.00 11.32 H new ATOM 0 HZ2 LYS A 26 -36.070 -33.434 -16.363 1.00 11.32 H new ATOM 0 HZ3 LYS A 26 -35.437 -32.363 -17.519 1.00 11.32 H new ATOM 417 N LEU A 27 -32.041 -26.517 -13.971 1.00 33.14 N ATOM 418 CA LEU A 27 -31.874 -25.139 -13.527 1.00 2.35 C ATOM 419 C LEU A 27 -30.432 -24.677 -13.712 1.00 23.21 C ATOM 420 O LEU A 27 -29.579 -25.438 -14.169 1.00 62.24 O ATOM 421 CB LEU A 27 -32.280 -25.002 -12.058 1.00 34.15 C ATOM 422 CG LEU A 27 -31.960 -26.197 -11.160 1.00 21.34 C ATOM 423 CD1 LEU A 27 -30.493 -26.579 -11.282 1.00 33.23 C ATOM 424 CD2 LEU A 27 -32.313 -25.887 -9.713 1.00 53.11 C ATOM 0 H LEU A 27 -31.167 -27.012 -14.148 1.00 33.14 H new ATOM 0 HA LEU A 27 -32.520 -24.507 -14.137 1.00 2.35 H new ATOM 0 HB2 LEU A 27 -31.787 -24.121 -11.646 1.00 34.15 H new ATOM 0 HB3 LEU A 27 -33.353 -24.817 -12.014 1.00 34.15 H new ATOM 0 HG LEU A 27 -32.563 -27.044 -11.487 1.00 21.34 H new ATOM 0 HD11 LEU A 27 -30.284 -27.431 -10.636 1.00 33.23 H new ATOM 0 HD12 LEU A 27 -30.271 -26.844 -12.316 1.00 33.23 H new ATOM 0 HD13 LEU A 27 -29.871 -25.735 -10.982 1.00 33.23 H new ATOM 0 HD21 LEU A 27 -32.078 -26.749 -9.089 1.00 53.11 H new ATOM 0 HD22 LEU A 27 -31.737 -25.026 -9.374 1.00 53.11 H new ATOM 0 HD23 LEU A 27 -33.377 -25.663 -9.638 1.00 53.11 H new ATOM 436 N LYS A 28 -30.165 -23.427 -13.351 1.00 52.32 N ATOM 437 CA LYS A 28 -28.825 -22.864 -13.474 1.00 54.25 C ATOM 438 C LYS A 28 -27.792 -23.770 -12.811 1.00 65.03 C ATOM 439 O LYS A 28 -28.085 -24.442 -11.824 1.00 3.40 O ATOM 440 CB LYS A 28 -28.776 -21.470 -12.844 1.00 54.42 C ATOM 441 CG LYS A 28 -29.122 -21.459 -11.365 1.00 22.02 C ATOM 442 CD LYS A 28 -30.584 -21.117 -11.136 1.00 42.52 C ATOM 443 CE LYS A 28 -30.785 -20.379 -9.820 1.00 64.35 C ATOM 444 NZ LYS A 28 -32.145 -20.608 -9.259 1.00 20.24 N ATOM 0 H LYS A 28 -30.859 -22.784 -12.971 1.00 52.32 H new ATOM 0 HA LYS A 28 -28.586 -22.785 -14.535 1.00 54.25 H new ATOM 0 HB2 LYS A 28 -27.777 -21.055 -12.978 1.00 54.42 H new ATOM 0 HB3 LYS A 28 -29.467 -20.816 -13.375 1.00 54.42 H new ATOM 0 HG2 LYS A 28 -28.904 -22.435 -10.932 1.00 22.02 H new ATOM 0 HG3 LYS A 28 -28.493 -20.734 -10.849 1.00 22.02 H new ATOM 0 HD2 LYS A 28 -30.948 -20.502 -11.959 1.00 42.52 H new ATOM 0 HD3 LYS A 28 -31.177 -22.032 -11.136 1.00 42.52 H new ATOM 0 HE2 LYS A 28 -30.035 -20.708 -9.101 1.00 64.35 H new ATOM 0 HE3 LYS A 28 -30.631 -19.311 -9.975 1.00 64.35 H new ATOM 0 HZ1 LYS A 28 -32.243 -20.089 -8.363 1.00 20.24 H new ATOM 0 HZ2 LYS A 28 -32.860 -20.271 -9.934 1.00 20.24 H new ATOM 0 HZ3 LYS A 28 -32.283 -21.624 -9.087 1.00 20.24 H new ATOM 458 N ALA A 29 -26.583 -23.781 -13.362 1.00 45.33 N ATOM 459 CA ALA A 29 -25.505 -24.601 -12.822 1.00 41.12 C ATOM 460 C ALA A 29 -24.315 -23.741 -12.409 1.00 73.11 C ATOM 461 O ALA A 29 -23.613 -24.056 -11.448 1.00 61.45 O ATOM 462 CB ALA A 29 -25.076 -25.646 -13.842 1.00 3.32 C ATOM 0 H ALA A 29 -26.325 -23.232 -14.182 1.00 45.33 H new ATOM 0 HA ALA A 29 -25.878 -25.109 -11.933 1.00 41.12 H new ATOM 0 HB1 ALA A 29 -24.271 -26.251 -13.426 1.00 3.32 H new ATOM 0 HB2 ALA A 29 -25.924 -26.287 -14.085 1.00 3.32 H new ATOM 0 HB3 ALA A 29 -24.726 -25.149 -14.747 1.00 3.32 H new ATOM 468 N TRP A 30 -24.093 -22.655 -13.141 1.00 73.42 N ATOM 469 CA TRP A 30 -22.987 -21.751 -12.851 1.00 21.11 C ATOM 470 C TRP A 30 -23.482 -20.494 -12.143 1.00 12.13 C ATOM 471 O TRP A 30 -24.656 -20.137 -12.240 1.00 65.23 O ATOM 472 CB TRP A 30 -22.260 -21.371 -14.142 1.00 42.43 C ATOM 473 CG TRP A 30 -21.282 -22.410 -14.602 1.00 11.41 C ATOM 474 CD1 TRP A 30 -21.566 -23.553 -15.293 1.00 53.11 C ATOM 475 CD2 TRP A 30 -19.865 -22.402 -14.399 1.00 61.14 C ATOM 476 NE1 TRP A 30 -20.410 -24.256 -15.533 1.00 75.24 N ATOM 477 CE2 TRP A 30 -19.352 -23.571 -14.996 1.00 71.14 C ATOM 478 CE3 TRP A 30 -18.978 -21.521 -13.776 1.00 11.41 C ATOM 479 CZ2 TRP A 30 -17.995 -23.878 -14.984 1.00 61.31 C ATOM 480 CZ3 TRP A 30 -17.631 -21.827 -13.764 1.00 34.44 C ATOM 481 CH2 TRP A 30 -17.150 -22.998 -14.366 1.00 65.11 C ATOM 0 H TRP A 30 -24.665 -22.380 -13.940 1.00 73.42 H new ATOM 0 HA TRP A 30 -22.292 -22.268 -12.189 1.00 21.11 H new ATOM 0 HB2 TRP A 30 -22.996 -21.202 -14.928 1.00 42.43 H new ATOM 0 HB3 TRP A 30 -21.733 -20.429 -13.990 1.00 42.43 H new ATOM 0 HD1 TRP A 30 -22.554 -23.859 -15.605 1.00 53.11 H new ATOM 0 HE1 TRP A 30 -20.349 -25.144 -16.031 1.00 75.24 H new ATOM 0 HE3 TRP A 30 -19.339 -20.616 -13.311 1.00 11.41 H new ATOM 0 HZ2 TRP A 30 -17.622 -24.780 -15.447 1.00 61.31 H new ATOM 0 HZ3 TRP A 30 -16.937 -21.153 -13.283 1.00 34.44 H new ATOM 0 HH2 TRP A 30 -16.091 -23.209 -14.341 1.00 65.11 H new ATOM 492 N LYS A 31 -22.580 -19.827 -11.431 1.00 71.30 N ATOM 493 CA LYS A 31 -22.924 -18.609 -10.707 1.00 52.15 C ATOM 494 C LYS A 31 -22.083 -17.432 -11.191 1.00 72.33 C ATOM 495 O LYS A 31 -20.915 -17.596 -11.544 1.00 44.14 O ATOM 496 CB LYS A 31 -22.722 -18.810 -9.204 1.00 52.23 C ATOM 497 CG LYS A 31 -24.021 -18.967 -8.431 1.00 24.22 C ATOM 498 CD LYS A 31 -24.436 -20.424 -8.329 1.00 33.03 C ATOM 499 CE LYS A 31 -25.756 -20.578 -7.589 1.00 51.45 C ATOM 500 NZ LYS A 31 -25.606 -20.327 -6.128 1.00 64.42 N ATOM 0 H LYS A 31 -21.604 -20.110 -11.340 1.00 71.30 H new ATOM 0 HA LYS A 31 -23.973 -18.386 -10.900 1.00 52.15 H new ATOM 0 HB2 LYS A 31 -22.105 -19.694 -9.044 1.00 52.23 H new ATOM 0 HB3 LYS A 31 -22.171 -17.959 -8.803 1.00 52.23 H new ATOM 0 HG2 LYS A 31 -23.903 -18.551 -7.431 1.00 24.22 H new ATOM 0 HG3 LYS A 31 -24.809 -18.397 -8.923 1.00 24.22 H new ATOM 0 HD2 LYS A 31 -24.527 -20.848 -9.329 1.00 33.03 H new ATOM 0 HD3 LYS A 31 -23.660 -20.989 -7.812 1.00 33.03 H new ATOM 0 HE2 LYS A 31 -26.488 -19.884 -8.003 1.00 51.45 H new ATOM 0 HE3 LYS A 31 -26.145 -21.584 -7.747 1.00 51.45 H new ATOM 0 HZ1 LYS A 31 -26.520 -20.475 -5.655 1.00 64.42 H new ATOM 0 HZ2 LYS A 31 -24.902 -20.983 -5.734 1.00 64.42 H new ATOM 0 HZ3 LYS A 31 -25.291 -19.348 -5.975 1.00 64.42 H new ATOM 514 N LEU A 32 -22.684 -16.247 -11.205 1.00 34.54 N ATOM 515 CA LEU A 32 -21.989 -15.042 -11.644 1.00 73.30 C ATOM 516 C LEU A 32 -22.306 -13.866 -10.727 1.00 2.12 C ATOM 517 O LEU A 32 -23.471 -13.558 -10.477 1.00 71.21 O ATOM 518 CB LEU A 32 -22.380 -14.701 -13.083 1.00 22.11 C ATOM 519 CG LEU A 32 -21.831 -13.384 -13.633 1.00 13.40 C ATOM 520 CD1 LEU A 32 -22.683 -12.214 -13.164 1.00 23.51 C ATOM 521 CD2 LEU A 32 -20.381 -13.193 -13.212 1.00 54.44 C ATOM 0 H LEU A 32 -23.651 -16.095 -10.917 1.00 34.54 H new ATOM 0 HA LEU A 32 -20.917 -15.234 -11.600 1.00 73.30 H new ATOM 0 HB2 LEU A 32 -22.044 -15.510 -13.731 1.00 22.11 H new ATOM 0 HB3 LEU A 32 -23.468 -14.673 -13.146 1.00 22.11 H new ATOM 0 HG LEU A 32 -21.870 -13.422 -14.722 1.00 13.40 H new ATOM 0 HD11 LEU A 32 -22.278 -11.285 -13.565 1.00 23.51 H new ATOM 0 HD12 LEU A 32 -23.706 -12.345 -13.516 1.00 23.51 H new ATOM 0 HD13 LEU A 32 -22.676 -12.173 -12.075 1.00 23.51 H new ATOM 0 HD21 LEU A 32 -20.007 -12.251 -13.612 1.00 54.44 H new ATOM 0 HD22 LEU A 32 -20.317 -13.176 -12.124 1.00 54.44 H new ATOM 0 HD23 LEU A 32 -19.779 -14.016 -13.598 1.00 54.44 H new ATOM 533 N GLU A 33 -21.262 -13.212 -10.229 1.00 4.03 N ATOM 534 CA GLU A 33 -21.429 -12.068 -9.341 1.00 11.42 C ATOM 535 C GLU A 33 -20.580 -10.889 -9.805 1.00 51.24 C ATOM 536 O GLU A 33 -19.370 -10.851 -9.576 1.00 75.15 O ATOM 537 CB GLU A 33 -21.054 -12.448 -7.907 1.00 24.51 C ATOM 538 CG GLU A 33 -21.684 -13.748 -7.437 1.00 52.10 C ATOM 539 CD GLU A 33 -23.200 -13.695 -7.439 1.00 3.33 C ATOM 540 OE1 GLU A 33 -23.762 -12.764 -6.824 1.00 13.20 O ATOM 541 OE2 GLU A 33 -23.824 -14.584 -8.055 1.00 1.25 O ATOM 0 H GLU A 33 -20.291 -13.455 -10.425 1.00 4.03 H new ATOM 0 HA GLU A 33 -22.477 -11.770 -9.368 1.00 11.42 H new ATOM 0 HB2 GLU A 33 -19.970 -12.533 -7.834 1.00 24.51 H new ATOM 0 HB3 GLU A 33 -21.357 -11.644 -7.236 1.00 24.51 H new ATOM 0 HG2 GLU A 33 -21.352 -14.562 -8.081 1.00 52.10 H new ATOM 0 HG3 GLU A 33 -21.333 -13.974 -6.430 1.00 52.10 H new ATOM 548 N PHE A 34 -21.222 -9.926 -10.459 1.00 63.12 N ATOM 549 CA PHE A 34 -20.526 -8.745 -10.958 1.00 74.23 C ATOM 550 C PHE A 34 -20.403 -7.685 -9.867 1.00 31.11 C ATOM 551 O PHE A 34 -21.301 -7.525 -9.041 1.00 3.21 O ATOM 552 CB PHE A 34 -21.263 -8.166 -12.167 1.00 31.41 C ATOM 553 CG PHE A 34 -20.739 -8.665 -13.484 1.00 34.43 C ATOM 554 CD1 PHE A 34 -19.467 -8.323 -13.914 1.00 31.03 C ATOM 555 CD2 PHE A 34 -21.519 -9.478 -14.292 1.00 1.32 C ATOM 556 CE1 PHE A 34 -18.982 -8.782 -15.124 1.00 20.04 C ATOM 557 CE2 PHE A 34 -21.039 -9.939 -15.503 1.00 55.34 C ATOM 558 CZ PHE A 34 -19.770 -9.590 -15.920 1.00 12.53 C ATOM 0 H PHE A 34 -22.223 -9.940 -10.656 1.00 63.12 H new ATOM 0 HA PHE A 34 -19.523 -9.046 -11.262 1.00 74.23 H new ATOM 0 HB2 PHE A 34 -22.322 -8.413 -12.089 1.00 31.41 H new ATOM 0 HB3 PHE A 34 -21.186 -7.079 -12.143 1.00 31.41 H new ATOM 0 HD1 PHE A 34 -18.847 -7.690 -13.296 1.00 31.03 H new ATOM 0 HD2 PHE A 34 -22.513 -9.754 -13.971 1.00 1.32 H new ATOM 0 HE1 PHE A 34 -17.988 -8.509 -15.447 1.00 20.04 H new ATOM 0 HE2 PHE A 34 -21.656 -10.572 -16.123 1.00 55.34 H new ATOM 0 HZ PHE A 34 -19.394 -9.948 -16.867 1.00 12.53 H new ATOM 568 N GLU A 35 -19.286 -6.965 -9.873 1.00 32.42 N ATOM 569 CA GLU A 35 -19.045 -5.922 -8.883 1.00 61.13 C ATOM 570 C GLU A 35 -20.063 -4.794 -9.024 1.00 14.54 C ATOM 571 O GLU A 35 -20.629 -4.565 -10.092 1.00 71.14 O ATOM 572 CB GLU A 35 -17.627 -5.366 -9.030 1.00 62.32 C ATOM 573 CG GLU A 35 -17.501 -4.298 -10.103 1.00 62.32 C ATOM 574 CD GLU A 35 -16.092 -3.748 -10.215 1.00 73.13 C ATOM 575 OE1 GLU A 35 -15.134 -4.525 -10.025 1.00 1.13 O ATOM 576 OE2 GLU A 35 -15.948 -2.539 -10.494 1.00 52.45 O ATOM 0 H GLU A 35 -18.534 -7.085 -10.552 1.00 32.42 H new ATOM 0 HA GLU A 35 -19.153 -6.364 -7.893 1.00 61.13 H new ATOM 0 HB2 GLU A 35 -17.308 -4.949 -8.075 1.00 62.32 H new ATOM 0 HB3 GLU A 35 -16.947 -6.185 -9.263 1.00 62.32 H new ATOM 0 HG2 GLU A 35 -17.801 -4.716 -11.064 1.00 62.32 H new ATOM 0 HG3 GLU A 35 -18.189 -3.482 -9.881 1.00 62.32 H new ATOM 583 N PRO A 36 -20.302 -4.072 -7.919 1.00 23.23 N ATOM 584 CA PRO A 36 -21.251 -2.956 -7.893 1.00 52.33 C ATOM 585 C PRO A 36 -20.756 -1.753 -8.690 1.00 21.42 C ATOM 586 O PRO A 36 -19.835 -1.054 -8.268 1.00 14.00 O ATOM 587 CB PRO A 36 -21.349 -2.608 -6.405 1.00 41.13 C ATOM 588 CG PRO A 36 -20.059 -3.071 -5.823 1.00 5.34 C ATOM 589 CD PRO A 36 -19.662 -4.289 -6.611 1.00 1.44 C ATOM 0 HA PRO A 36 -22.205 -3.223 -8.347 1.00 52.33 H new ATOM 0 HB2 PRO A 36 -21.489 -1.537 -6.257 1.00 41.13 H new ATOM 0 HB3 PRO A 36 -22.197 -3.108 -5.936 1.00 41.13 H new ATOM 0 HG2 PRO A 36 -19.297 -2.294 -5.895 1.00 5.34 H new ATOM 0 HG3 PRO A 36 -20.172 -3.310 -4.766 1.00 5.34 H new ATOM 0 HD2 PRO A 36 -18.579 -4.373 -6.702 1.00 1.44 H new ATOM 0 HD3 PRO A 36 -20.014 -5.206 -6.138 1.00 1.44 H new ATOM 597 N SER A 37 -21.373 -1.520 -9.843 1.00 45.24 N ATOM 598 CA SER A 37 -20.991 -0.403 -10.702 1.00 14.15 C ATOM 599 C SER A 37 -21.833 0.830 -10.394 1.00 53.42 C ATOM 600 O SER A 37 -21.321 1.950 -10.346 1.00 35.13 O ATOM 601 CB SER A 37 -21.148 -0.788 -12.174 1.00 1.44 C ATOM 602 OG SER A 37 -21.226 0.364 -12.996 1.00 33.40 O ATOM 0 H SER A 37 -22.139 -2.088 -10.205 1.00 45.24 H new ATOM 0 HA SER A 37 -19.945 -0.166 -10.506 1.00 14.15 H new ATOM 0 HB2 SER A 37 -20.304 -1.404 -12.484 1.00 1.44 H new ATOM 0 HB3 SER A 37 -22.047 -1.391 -12.302 1.00 1.44 H new ATOM 0 HG SER A 37 -21.324 0.092 -13.932 1.00 33.40 H new ATOM 608 N CYS A 38 -23.128 0.619 -10.186 1.00 74.10 N ATOM 609 CA CYS A 38 -24.044 1.713 -9.884 1.00 31.14 C ATOM 610 C CYS A 38 -24.996 1.330 -8.755 1.00 21.24 C ATOM 611 O CYS A 38 -24.948 0.212 -8.240 1.00 24.13 O ATOM 612 CB CYS A 38 -24.841 2.098 -11.131 1.00 22.03 C ATOM 613 SG CYS A 38 -23.887 3.016 -12.362 1.00 44.42 S ATOM 0 H CYS A 38 -23.568 -0.301 -10.221 1.00 74.10 H new ATOM 0 HA CYS A 38 -23.453 2.570 -9.561 1.00 31.14 H new ATOM 0 HB2 CYS A 38 -25.233 1.192 -11.593 1.00 22.03 H new ATOM 0 HB3 CYS A 38 -25.699 2.699 -10.830 1.00 22.03 H new ATOM 0 HG CYS A 38 -22.627 2.991 -12.042 1.00 44.42 H new ATOM 619 N THR A 39 -25.860 2.265 -8.373 1.00 61.51 N ATOM 620 CA THR A 39 -26.822 2.026 -7.305 1.00 2.32 C ATOM 621 C THR A 39 -28.250 2.042 -7.836 1.00 41.55 C ATOM 622 O THR A 39 -29.021 1.113 -7.596 1.00 44.35 O ATOM 623 CB THR A 39 -26.690 3.078 -6.187 1.00 15.20 C ATOM 624 OG1 THR A 39 -25.309 3.367 -5.946 1.00 23.02 O ATOM 625 CG2 THR A 39 -27.342 2.587 -4.902 1.00 22.33 C ATOM 0 H THR A 39 -25.913 3.195 -8.788 1.00 61.51 H new ATOM 0 HA THR A 39 -26.602 1.040 -6.896 1.00 2.32 H new ATOM 0 HB THR A 39 -27.199 3.986 -6.511 1.00 15.20 H new ATOM 0 HG1 THR A 39 -25.234 4.038 -5.235 1.00 23.02 H new ATOM 0 HG21 THR A 39 -27.236 3.346 -4.127 1.00 22.33 H new ATOM 0 HG22 THR A 39 -28.400 2.396 -5.081 1.00 22.33 H new ATOM 0 HG23 THR A 39 -26.857 1.667 -4.577 1.00 22.33 H new ATOM 633 N GLN A 40 -28.595 3.103 -8.558 1.00 74.35 N ATOM 634 CA GLN A 40 -29.933 3.239 -9.124 1.00 73.15 C ATOM 635 C GLN A 40 -30.186 2.173 -10.185 1.00 12.22 C ATOM 636 O GLN A 40 -29.250 1.650 -10.790 1.00 63.23 O ATOM 637 CB GLN A 40 -30.115 4.632 -9.730 1.00 52.10 C ATOM 638 CG GLN A 40 -30.244 5.734 -8.692 1.00 4.40 C ATOM 639 CD GLN A 40 -31.541 5.654 -7.913 1.00 54.15 C ATOM 640 OE1 GLN A 40 -32.596 5.348 -8.470 1.00 73.44 O ATOM 641 NE2 GLN A 40 -31.471 5.928 -6.616 1.00 13.40 N ATOM 0 H GLN A 40 -27.968 3.880 -8.765 1.00 74.35 H new ATOM 0 HA GLN A 40 -30.656 3.104 -8.319 1.00 73.15 H new ATOM 0 HB2 GLN A 40 -29.266 4.851 -10.377 1.00 52.10 H new ATOM 0 HB3 GLN A 40 -31.004 4.632 -10.360 1.00 52.10 H new ATOM 0 HG2 GLN A 40 -29.405 5.675 -7.999 1.00 4.40 H new ATOM 0 HG3 GLN A 40 -30.181 6.703 -9.187 1.00 4.40 H new ATOM 0 HE21 GLN A 40 -30.576 6.177 -6.195 1.00 13.40 H new ATOM 0 HE22 GLN A 40 -32.312 5.889 -6.040 1.00 13.40 H new ATOM 650 N TYR A 41 -31.457 1.854 -10.405 1.00 41.04 N ATOM 651 CA TYR A 41 -31.833 0.849 -11.391 1.00 10.23 C ATOM 652 C TYR A 41 -32.871 1.401 -12.364 1.00 31.41 C ATOM 653 O TYR A 41 -33.874 1.986 -11.956 1.00 2.11 O ATOM 654 CB TYR A 41 -32.383 -0.398 -10.695 1.00 1.33 C ATOM 655 CG TYR A 41 -33.678 -0.155 -9.952 1.00 4.33 C ATOM 656 CD1 TYR A 41 -33.685 0.503 -8.728 1.00 33.04 C ATOM 657 CD2 TYR A 41 -34.892 -0.583 -10.473 1.00 41.50 C ATOM 658 CE1 TYR A 41 -34.864 0.726 -8.044 1.00 74.14 C ATOM 659 CE2 TYR A 41 -36.077 -0.362 -9.797 1.00 61.31 C ATOM 660 CZ TYR A 41 -36.057 0.293 -8.583 1.00 51.31 C ATOM 661 OH TYR A 41 -37.236 0.514 -7.907 1.00 22.42 O ATOM 0 H TYR A 41 -32.244 2.277 -9.913 1.00 41.04 H new ATOM 0 HA TYR A 41 -30.940 0.579 -11.955 1.00 10.23 H new ATOM 0 HB2 TYR A 41 -32.542 -1.179 -11.439 1.00 1.33 H new ATOM 0 HB3 TYR A 41 -31.636 -0.772 -9.994 1.00 1.33 H new ATOM 0 HD1 TYR A 41 -32.753 0.846 -8.304 1.00 33.04 H new ATOM 0 HD2 TYR A 41 -34.910 -1.097 -11.423 1.00 41.50 H new ATOM 0 HE1 TYR A 41 -34.852 1.237 -7.092 1.00 74.14 H new ATOM 0 HE2 TYR A 41 -37.013 -0.700 -10.217 1.00 61.31 H new ATOM 0 HH TYR A 41 -37.983 0.148 -8.424 1.00 22.42 H new ATOM 671 N THR A 42 -32.621 1.209 -13.656 1.00 52.31 N ATOM 672 CA THR A 42 -33.531 1.688 -14.689 1.00 74.21 C ATOM 673 C THR A 42 -34.822 0.877 -14.703 1.00 74.52 C ATOM 674 O THR A 42 -34.947 -0.118 -13.990 1.00 74.34 O ATOM 675 CB THR A 42 -32.882 1.622 -16.084 1.00 52.03 C ATOM 676 OG1 THR A 42 -32.577 0.264 -16.419 1.00 24.13 O ATOM 677 CG2 THR A 42 -31.613 2.459 -16.130 1.00 41.13 C ATOM 0 H THR A 42 -31.796 0.725 -14.011 1.00 52.31 H new ATOM 0 HA THR A 42 -33.760 2.727 -14.452 1.00 74.21 H new ATOM 0 HB THR A 42 -33.590 2.024 -16.809 1.00 52.03 H new ATOM 0 HG1 THR A 42 -32.166 0.231 -17.308 1.00 24.13 H new ATOM 0 HG21 THR A 42 -31.172 2.397 -17.125 1.00 41.13 H new ATOM 0 HG22 THR A 42 -31.854 3.498 -15.904 1.00 41.13 H new ATOM 0 HG23 THR A 42 -30.902 2.083 -15.394 1.00 41.13 H new ATOM 685 N GLU A 43 -35.778 1.308 -15.520 1.00 31.14 N ATOM 686 CA GLU A 43 -37.059 0.620 -15.626 1.00 14.30 C ATOM 687 C GLU A 43 -36.857 -0.869 -15.886 1.00 74.30 C ATOM 688 O GLU A 43 -35.821 -1.303 -16.392 1.00 1.55 O ATOM 689 CB GLU A 43 -37.903 1.235 -16.745 1.00 30.52 C ATOM 690 CG GLU A 43 -37.120 1.505 -18.018 1.00 75.33 C ATOM 691 CD GLU A 43 -38.016 1.669 -19.231 1.00 51.31 C ATOM 692 OE1 GLU A 43 -38.985 2.454 -19.150 1.00 63.41 O ATOM 693 OE2 GLU A 43 -37.749 1.014 -20.260 1.00 50.51 O ATOM 0 H GLU A 43 -35.690 2.130 -16.118 1.00 31.14 H new ATOM 0 HA GLU A 43 -37.585 0.737 -14.678 1.00 14.30 H new ATOM 0 HB2 GLU A 43 -38.732 0.565 -16.973 1.00 30.52 H new ATOM 0 HB3 GLU A 43 -38.337 2.170 -16.390 1.00 30.52 H new ATOM 0 HG2 GLU A 43 -36.522 2.407 -17.888 1.00 75.33 H new ATOM 0 HG3 GLU A 43 -36.424 0.684 -18.193 1.00 75.33 H new ATOM 700 N PRO A 44 -37.871 -1.674 -15.534 1.00 72.41 N ATOM 701 CA PRO A 44 -37.829 -3.128 -15.720 1.00 51.44 C ATOM 702 C PRO A 44 -37.894 -3.526 -17.190 1.00 71.44 C ATOM 703 O PRO A 44 -38.965 -3.517 -17.800 1.00 13.13 O ATOM 704 CB PRO A 44 -39.075 -3.617 -14.978 1.00 61.33 C ATOM 705 CG PRO A 44 -40.005 -2.453 -14.992 1.00 73.11 C ATOM 706 CD PRO A 44 -39.137 -1.228 -14.928 1.00 5.25 C ATOM 0 HA PRO A 44 -36.899 -3.560 -15.350 1.00 51.44 H new ATOM 0 HB2 PRO A 44 -39.516 -4.482 -15.473 1.00 61.33 H new ATOM 0 HB3 PRO A 44 -38.835 -3.920 -13.959 1.00 61.33 H new ATOM 0 HG2 PRO A 44 -40.615 -2.452 -15.895 1.00 73.11 H new ATOM 0 HG3 PRO A 44 -40.690 -2.491 -14.145 1.00 73.11 H new ATOM 0 HD2 PRO A 44 -39.575 -0.396 -15.479 1.00 5.25 H new ATOM 0 HD3 PRO A 44 -38.994 -0.890 -13.902 1.00 5.25 H new ATOM 714 N LEU A 45 -36.745 -3.877 -17.756 1.00 2.24 N ATOM 715 CA LEU A 45 -36.671 -4.280 -19.156 1.00 43.31 C ATOM 716 C LEU A 45 -35.596 -5.340 -19.362 1.00 23.24 C ATOM 717 O LEU A 45 -34.426 -5.123 -19.042 1.00 74.44 O ATOM 718 CB LEU A 45 -36.383 -3.065 -20.042 1.00 75.41 C ATOM 719 CG LEU A 45 -36.893 -3.149 -21.481 1.00 10.42 C ATOM 720 CD1 LEU A 45 -38.396 -2.919 -21.528 1.00 20.51 C ATOM 721 CD2 LEU A 45 -36.170 -2.140 -22.363 1.00 13.14 C ATOM 0 H LEU A 45 -35.850 -3.891 -17.266 1.00 2.24 H new ATOM 0 HA LEU A 45 -37.634 -4.707 -19.437 1.00 43.31 H new ATOM 0 HB2 LEU A 45 -36.823 -2.185 -19.572 1.00 75.41 H new ATOM 0 HB3 LEU A 45 -35.305 -2.907 -20.068 1.00 75.41 H new ATOM 0 HG LEU A 45 -36.686 -4.149 -21.862 1.00 10.42 H new ATOM 0 HD11 LEU A 45 -38.742 -2.982 -22.560 1.00 20.51 H new ATOM 0 HD12 LEU A 45 -38.899 -3.678 -20.929 1.00 20.51 H new ATOM 0 HD13 LEU A 45 -38.626 -1.931 -21.128 1.00 20.51 H new ATOM 0 HD21 LEU A 45 -36.546 -2.214 -23.384 1.00 13.14 H new ATOM 0 HD22 LEU A 45 -36.346 -1.133 -21.984 1.00 13.14 H new ATOM 0 HD23 LEU A 45 -35.100 -2.350 -22.354 1.00 13.14 H new ATOM 733 N MET A 46 -35.998 -6.487 -19.899 1.00 34.30 N ATOM 734 CA MET A 46 -35.067 -7.581 -20.151 1.00 34.34 C ATOM 735 C MET A 46 -35.514 -8.410 -21.352 1.00 13.34 C ATOM 736 O MET A 46 -36.687 -8.404 -21.719 1.00 40.14 O ATOM 737 CB MET A 46 -34.949 -8.474 -18.915 1.00 75.10 C ATOM 738 CG MET A 46 -33.930 -7.980 -17.902 1.00 25.42 C ATOM 739 SD MET A 46 -33.255 -9.311 -16.890 1.00 4.15 S ATOM 740 CE MET A 46 -32.243 -10.171 -18.091 1.00 62.14 C ATOM 0 H MET A 46 -36.962 -6.683 -20.168 1.00 34.30 H new ATOM 0 HA MET A 46 -34.091 -7.150 -20.373 1.00 34.34 H new ATOM 0 HB2 MET A 46 -35.924 -8.543 -18.433 1.00 75.10 H new ATOM 0 HB3 MET A 46 -34.677 -9.481 -19.230 1.00 75.10 H new ATOM 0 HG2 MET A 46 -33.116 -7.479 -18.426 1.00 25.42 H new ATOM 0 HG3 MET A 46 -34.397 -7.238 -17.255 1.00 25.42 H new ATOM 0 HE1 MET A 46 -31.467 -10.737 -17.575 1.00 62.14 H new ATOM 0 HE2 MET A 46 -32.866 -10.853 -18.669 1.00 62.14 H new ATOM 0 HE3 MET A 46 -31.779 -9.447 -18.761 1.00 62.14 H new ATOM 750 N ASN A 47 -34.569 -9.123 -21.957 1.00 13.20 N ATOM 751 CA ASN A 47 -34.867 -9.957 -23.116 1.00 4.30 C ATOM 752 C ASN A 47 -35.622 -11.215 -22.702 1.00 13.41 C ATOM 753 O ASN A 47 -36.706 -11.497 -23.212 1.00 53.45 O ATOM 754 CB ASN A 47 -33.574 -10.338 -23.840 1.00 31.43 C ATOM 755 CG ASN A 47 -32.694 -9.138 -24.126 1.00 42.11 C ATOM 756 OD1 ASN A 47 -32.801 -8.513 -25.181 1.00 41.54 O ATOM 757 ND2 ASN A 47 -31.817 -8.809 -23.184 1.00 20.01 N ATOM 0 H ASN A 47 -33.592 -9.140 -21.664 1.00 13.20 H new ATOM 0 HA ASN A 47 -35.500 -9.383 -23.793 1.00 4.30 H new ATOM 0 HB2 ASN A 47 -33.020 -11.055 -23.234 1.00 31.43 H new ATOM 0 HB3 ASN A 47 -33.820 -10.836 -24.778 1.00 31.43 H new ATOM 0 HD21 ASN A 47 -31.198 -8.010 -23.320 1.00 20.01 H new ATOM 0 HD22 ASN A 47 -31.763 -9.355 -22.324 1.00 20.01 H new ATOM 764 N TRP A 48 -35.042 -11.967 -21.774 1.00 33.53 N ATOM 765 CA TRP A 48 -35.662 -13.198 -21.290 1.00 43.44 C ATOM 766 C TRP A 48 -35.836 -13.160 -19.776 1.00 43.24 C ATOM 767 O TRP A 48 -34.862 -13.228 -19.026 1.00 23.21 O ATOM 768 CB TRP A 48 -34.818 -14.409 -21.688 1.00 63.23 C ATOM 769 CG TRP A 48 -35.307 -15.695 -21.096 1.00 32.03 C ATOM 770 CD1 TRP A 48 -34.676 -16.455 -20.153 1.00 32.23 C ATOM 771 CD2 TRP A 48 -36.529 -16.371 -21.407 1.00 75.53 C ATOM 772 NE1 TRP A 48 -35.433 -17.563 -19.859 1.00 71.43 N ATOM 773 CE2 TRP A 48 -36.575 -17.535 -20.615 1.00 33.21 C ATOM 774 CE3 TRP A 48 -37.592 -16.106 -22.276 1.00 31.54 C ATOM 775 CZ2 TRP A 48 -37.640 -18.431 -20.668 1.00 63.35 C ATOM 776 CZ3 TRP A 48 -38.647 -16.997 -22.329 1.00 60.20 C ATOM 777 CH2 TRP A 48 -38.666 -18.147 -21.529 1.00 23.03 C ATOM 0 H TRP A 48 -34.145 -11.748 -21.341 1.00 33.53 H new ATOM 0 HA TRP A 48 -36.647 -13.284 -21.749 1.00 43.44 H new ATOM 0 HB2 TRP A 48 -34.812 -14.497 -22.774 1.00 63.23 H new ATOM 0 HB3 TRP A 48 -33.787 -14.243 -21.376 1.00 63.23 H new ATOM 0 HD1 TRP A 48 -33.722 -16.220 -19.704 1.00 32.23 H new ATOM 0 HE1 TRP A 48 -35.185 -18.289 -19.187 1.00 71.43 H new ATOM 0 HE3 TRP A 48 -37.589 -15.221 -22.895 1.00 31.54 H new ATOM 0 HZ2 TRP A 48 -37.656 -19.318 -20.052 1.00 63.35 H new ATOM 0 HZ3 TRP A 48 -39.472 -16.803 -22.999 1.00 60.20 H new ATOM 0 HH2 TRP A 48 -39.506 -18.823 -21.593 1.00 23.03 H new ATOM 788 N THR A 49 -37.084 -13.050 -19.330 1.00 65.14 N ATOM 789 CA THR A 49 -37.385 -13.001 -17.906 1.00 35.40 C ATOM 790 C THR A 49 -37.785 -14.377 -17.382 1.00 11.30 C ATOM 791 O THR A 49 -37.088 -14.963 -16.555 1.00 52.20 O ATOM 792 CB THR A 49 -38.517 -12.001 -17.605 1.00 12.04 C ATOM 793 OG1 THR A 49 -39.548 -12.116 -18.592 1.00 43.24 O ATOM 794 CG2 THR A 49 -37.987 -10.576 -17.579 1.00 60.01 C ATOM 0 H THR A 49 -37.902 -12.993 -19.936 1.00 65.14 H new ATOM 0 HA THR A 49 -36.476 -12.672 -17.401 1.00 35.40 H new ATOM 0 HB THR A 49 -38.928 -12.236 -16.623 1.00 12.04 H new ATOM 0 HG1 THR A 49 -40.265 -11.478 -18.392 1.00 43.24 H new ATOM 0 HG21 THR A 49 -38.804 -9.888 -17.365 1.00 60.01 H new ATOM 0 HG22 THR A 49 -37.224 -10.486 -16.806 1.00 60.01 H new ATOM 0 HG23 THR A 49 -37.552 -10.332 -18.548 1.00 60.01 H new ATOM 802 N GLY A 50 -38.912 -14.887 -17.870 1.00 62.32 N ATOM 803 CA GLY A 50 -39.384 -16.190 -17.440 1.00 5.13 C ATOM 804 C GLY A 50 -39.953 -16.165 -16.035 1.00 44.21 C ATOM 805 O GLY A 50 -40.333 -15.109 -15.531 1.00 14.42 O ATOM 0 H GLY A 50 -39.506 -14.421 -18.555 1.00 62.32 H new ATOM 0 HA2 GLY A 50 -40.148 -16.543 -18.132 1.00 5.13 H new ATOM 0 HA3 GLY A 50 -38.561 -16.904 -17.483 1.00 5.13 H new ATOM 809 N SER A 51 -40.014 -17.332 -15.402 1.00 10.22 N ATOM 810 CA SER A 51 -40.547 -17.442 -14.049 1.00 62.14 C ATOM 811 C SER A 51 -39.462 -17.160 -13.014 1.00 41.22 C ATOM 812 O SER A 51 -38.719 -18.057 -12.616 1.00 34.11 O ATOM 813 CB SER A 51 -41.136 -18.834 -13.821 1.00 35.32 C ATOM 814 OG SER A 51 -41.788 -18.913 -12.566 1.00 74.12 O ATOM 0 H SER A 51 -39.701 -18.215 -15.805 1.00 10.22 H new ATOM 0 HA SER A 51 -41.336 -16.699 -13.935 1.00 62.14 H new ATOM 0 HB2 SER A 51 -41.843 -19.068 -14.617 1.00 35.32 H new ATOM 0 HB3 SER A 51 -40.343 -19.580 -13.870 1.00 35.32 H new ATOM 0 HG SER A 51 -42.157 -19.813 -12.445 1.00 74.12 H new ATOM 820 N HIS A 52 -39.378 -15.905 -12.582 1.00 4.01 N ATOM 821 CA HIS A 52 -38.384 -15.503 -11.592 1.00 53.12 C ATOM 822 C HIS A 52 -38.860 -15.835 -10.180 1.00 43.35 C ATOM 823 O HIS A 52 -40.056 -15.788 -9.891 1.00 21.33 O ATOM 824 CB HIS A 52 -38.095 -14.007 -11.707 1.00 44.44 C ATOM 825 CG HIS A 52 -39.263 -13.141 -11.344 1.00 24.33 C ATOM 826 ND1 HIS A 52 -40.152 -12.649 -12.275 1.00 75.32 N ATOM 827 CD2 HIS A 52 -39.684 -12.681 -10.142 1.00 61.44 C ATOM 828 CE1 HIS A 52 -41.071 -11.923 -11.663 1.00 63.00 C ATOM 829 NE2 HIS A 52 -40.809 -11.927 -10.369 1.00 13.44 N ATOM 0 H HIS A 52 -39.985 -15.150 -12.901 1.00 4.01 H new ATOM 0 HA HIS A 52 -37.466 -16.058 -11.788 1.00 53.12 H new ATOM 0 HB2 HIS A 52 -37.253 -13.757 -11.061 1.00 44.44 H new ATOM 0 HB3 HIS A 52 -37.790 -13.782 -12.729 1.00 44.44 H new ATOM 0 HD2 HIS A 52 -39.222 -12.871 -9.185 1.00 61.44 H new ATOM 0 HE1 HIS A 52 -41.895 -11.414 -12.140 1.00 63.00 H new ATOM 0 HE2 HIS A 52 -41.355 -11.447 -9.653 1.00 13.44 H new ATOM 837 N ASP A 53 -37.917 -16.168 -9.307 1.00 23.12 N ATOM 838 CA ASP A 53 -38.238 -16.506 -7.925 1.00 72.02 C ATOM 839 C ASP A 53 -37.814 -15.388 -6.978 1.00 41.14 C ATOM 840 O ASP A 53 -38.599 -14.933 -6.146 1.00 43.14 O ATOM 841 CB ASP A 53 -37.556 -17.815 -7.526 1.00 2.14 C ATOM 842 CG ASP A 53 -36.104 -17.867 -7.960 1.00 3.04 C ATOM 843 OD1 ASP A 53 -35.852 -18.113 -9.158 1.00 43.14 O ATOM 844 OD2 ASP A 53 -35.220 -17.663 -7.102 1.00 30.23 O ATOM 0 H ASP A 53 -36.923 -16.211 -9.531 1.00 23.12 H new ATOM 0 HA ASP A 53 -39.318 -16.630 -7.850 1.00 72.02 H new ATOM 0 HB2 ASP A 53 -37.613 -17.936 -6.444 1.00 2.14 H new ATOM 0 HB3 ASP A 53 -38.095 -18.652 -7.970 1.00 2.14 H new ATOM 849 N THR A 54 -36.566 -14.948 -7.111 1.00 74.22 N ATOM 850 CA THR A 54 -36.037 -13.885 -6.266 1.00 61.42 C ATOM 851 C THR A 54 -35.481 -12.741 -7.107 1.00 24.31 C ATOM 852 O THR A 54 -35.087 -12.935 -8.257 1.00 33.33 O ATOM 853 CB THR A 54 -34.928 -14.408 -5.334 1.00 1.33 C ATOM 854 OG1 THR A 54 -33.788 -14.807 -6.103 1.00 72.04 O ATOM 855 CG2 THR A 54 -35.426 -15.584 -4.508 1.00 34.14 C ATOM 0 H THR A 54 -35.903 -15.312 -7.796 1.00 74.22 H new ATOM 0 HA THR A 54 -36.867 -13.519 -5.661 1.00 61.42 H new ATOM 0 HB THR A 54 -34.644 -13.603 -4.657 1.00 1.33 H new ATOM 0 HG1 THR A 54 -33.087 -15.137 -5.502 1.00 72.04 H new ATOM 0 HG21 THR A 54 -34.626 -15.937 -3.857 1.00 34.14 H new ATOM 0 HG22 THR A 54 -36.275 -15.269 -3.901 1.00 34.14 H new ATOM 0 HG23 THR A 54 -35.735 -16.391 -5.173 1.00 34.14 H new ATOM 863 N LYS A 55 -35.450 -11.547 -6.526 1.00 53.10 N ATOM 864 CA LYS A 55 -34.941 -10.370 -7.219 1.00 25.33 C ATOM 865 C LYS A 55 -33.443 -10.498 -7.478 1.00 3.03 C ATOM 866 O LYS A 55 -32.652 -10.631 -6.544 1.00 44.15 O ATOM 867 CB LYS A 55 -35.222 -9.109 -6.401 1.00 4.51 C ATOM 868 CG LYS A 55 -34.705 -7.835 -7.050 1.00 53.05 C ATOM 869 CD LYS A 55 -35.355 -6.600 -6.449 1.00 35.31 C ATOM 870 CE LYS A 55 -36.648 -6.244 -7.168 1.00 11.11 C ATOM 871 NZ LYS A 55 -36.411 -5.316 -8.308 1.00 72.22 N ATOM 0 H LYS A 55 -35.772 -11.369 -5.575 1.00 53.10 H new ATOM 0 HA LYS A 55 -35.453 -10.294 -8.178 1.00 25.33 H new ATOM 0 HB2 LYS A 55 -36.297 -9.018 -6.247 1.00 4.51 H new ATOM 0 HB3 LYS A 55 -34.767 -9.216 -5.416 1.00 4.51 H new ATOM 0 HG2 LYS A 55 -33.624 -7.775 -6.926 1.00 53.05 H new ATOM 0 HG3 LYS A 55 -34.902 -7.866 -8.122 1.00 53.05 H new ATOM 0 HD2 LYS A 55 -35.561 -6.773 -5.393 1.00 35.31 H new ATOM 0 HD3 LYS A 55 -34.663 -5.760 -6.505 1.00 35.31 H new ATOM 0 HE2 LYS A 55 -37.123 -7.154 -7.534 1.00 11.11 H new ATOM 0 HE3 LYS A 55 -37.341 -5.784 -6.463 1.00 11.11 H new ATOM 0 HZ1 LYS A 55 -37.316 -5.098 -8.772 1.00 72.22 H new ATOM 0 HZ2 LYS A 55 -35.981 -4.437 -7.956 1.00 72.22 H new ATOM 0 HZ3 LYS A 55 -35.770 -5.765 -8.993 1.00 72.22 H new ATOM 885 N GLN A 56 -33.061 -10.455 -8.750 1.00 24.43 N ATOM 886 CA GLN A 56 -31.657 -10.565 -9.130 1.00 74.21 C ATOM 887 C GLN A 56 -31.128 -9.234 -9.654 1.00 53.34 C ATOM 888 O GLN A 56 -31.405 -8.849 -10.791 1.00 34.55 O ATOM 889 CB GLN A 56 -31.478 -11.651 -10.192 1.00 70.25 C ATOM 890 CG GLN A 56 -32.507 -11.586 -11.310 1.00 14.34 C ATOM 891 CD GLN A 56 -33.745 -12.408 -11.011 1.00 15.00 C ATOM 892 OE1 GLN A 56 -34.867 -11.903 -11.062 1.00 72.44 O ATOM 893 NE2 GLN A 56 -33.548 -13.684 -10.697 1.00 1.52 N ATOM 0 H GLN A 56 -33.703 -10.345 -9.535 1.00 24.43 H new ATOM 0 HA GLN A 56 -31.087 -10.837 -8.242 1.00 74.21 H new ATOM 0 HB2 GLN A 56 -30.480 -11.565 -10.623 1.00 70.25 H new ATOM 0 HB3 GLN A 56 -31.536 -12.628 -9.713 1.00 70.25 H new ATOM 0 HG2 GLN A 56 -32.796 -10.548 -11.473 1.00 14.34 H new ATOM 0 HG3 GLN A 56 -32.055 -11.941 -12.236 1.00 14.34 H new ATOM 0 HE21 GLN A 56 -32.601 -14.061 -10.667 1.00 1.52 H new ATOM 0 HE22 GLN A 56 -34.344 -14.286 -10.486 1.00 1.52 H new ATOM 902 N GLN A 57 -30.369 -8.534 -8.818 1.00 0.41 N ATOM 903 CA GLN A 57 -29.803 -7.245 -9.197 1.00 53.43 C ATOM 904 C GLN A 57 -28.285 -7.251 -9.050 1.00 30.01 C ATOM 905 O GLN A 57 -27.572 -6.642 -9.846 1.00 65.33 O ATOM 906 CB GLN A 57 -30.406 -6.128 -8.342 1.00 23.33 C ATOM 907 CG GLN A 57 -30.156 -6.302 -6.852 1.00 62.22 C ATOM 908 CD GLN A 57 -30.931 -5.308 -6.011 1.00 41.22 C ATOM 909 OE1 GLN A 57 -32.256 -5.391 -6.064 1.00 22.33 O flip ATOM 910 NE2 GLN A 57 -30.348 -4.472 -5.320 1.00 20.51 N flip ATOM 0 H GLN A 57 -30.132 -8.838 -7.874 1.00 0.41 H new ATOM 0 HA GLN A 57 -30.047 -7.064 -10.244 1.00 53.43 H new ATOM 0 HB2 GLN A 57 -29.992 -5.172 -8.663 1.00 23.33 H new ATOM 0 HB3 GLN A 57 -31.481 -6.085 -8.519 1.00 23.33 H new ATOM 0 HG2 GLN A 57 -30.431 -7.315 -6.557 1.00 62.22 H new ATOM 0 HG3 GLN A 57 -29.091 -6.190 -6.651 1.00 62.22 H new ATOM 0 HE21 GLN A 57 -29.329 -4.442 -5.308 1.00 20.51 H new ATOM 0 HE22 GLN A 57 -30.885 -3.809 -4.760 1.00 20.51 H new ATOM 919 N VAL A 58 -27.798 -7.945 -8.026 1.00 22.41 N ATOM 920 CA VAL A 58 -26.364 -8.032 -7.776 1.00 14.14 C ATOM 921 C VAL A 58 -25.845 -9.440 -8.041 1.00 32.55 C ATOM 922 O VAL A 58 -24.675 -9.628 -8.379 1.00 75.32 O ATOM 923 CB VAL A 58 -26.023 -7.636 -6.327 1.00 71.41 C ATOM 924 CG1 VAL A 58 -26.142 -6.130 -6.143 1.00 34.24 C ATOM 925 CG2 VAL A 58 -26.923 -8.374 -5.347 1.00 71.22 C ATOM 0 H VAL A 58 -28.375 -8.455 -7.357 1.00 22.41 H new ATOM 0 HA VAL A 58 -25.880 -7.335 -8.460 1.00 14.14 H new ATOM 0 HB VAL A 58 -24.991 -7.923 -6.124 1.00 71.41 H new ATOM 0 HG11 VAL A 58 -25.897 -5.869 -5.113 1.00 34.24 H new ATOM 0 HG12 VAL A 58 -25.452 -5.625 -6.819 1.00 34.24 H new ATOM 0 HG13 VAL A 58 -27.162 -5.816 -6.365 1.00 34.24 H new ATOM 0 HG21 VAL A 58 -26.668 -8.082 -4.328 1.00 71.22 H new ATOM 0 HG22 VAL A 58 -27.964 -8.121 -5.547 1.00 71.22 H new ATOM 0 HG23 VAL A 58 -26.783 -9.449 -5.462 1.00 71.22 H new ATOM 935 N CYS A 59 -26.720 -10.427 -7.886 1.00 72.44 N ATOM 936 CA CYS A 59 -26.349 -11.820 -8.110 1.00 14.53 C ATOM 937 C CYS A 59 -27.076 -12.388 -9.325 1.00 24.12 C ATOM 938 O CYS A 59 -28.305 -12.363 -9.396 1.00 53.21 O ATOM 939 CB CYS A 59 -26.670 -12.660 -6.871 1.00 65.22 C ATOM 940 SG CYS A 59 -28.379 -12.511 -6.301 1.00 62.31 S ATOM 0 H CYS A 59 -27.691 -10.289 -7.606 1.00 72.44 H new ATOM 0 HA CYS A 59 -25.276 -11.859 -8.300 1.00 14.53 H new ATOM 0 HB2 CYS A 59 -26.462 -13.707 -7.091 1.00 65.22 H new ATOM 0 HB3 CYS A 59 -26.001 -12.365 -6.062 1.00 65.22 H new ATOM 0 HG CYS A 59 -29.158 -12.291 -7.318 1.00 62.31 H new ATOM 946 N LEU A 60 -26.307 -12.899 -10.281 1.00 52.43 N ATOM 947 CA LEU A 60 -26.877 -13.471 -11.496 1.00 24.51 C ATOM 948 C LEU A 60 -26.364 -14.889 -11.722 1.00 22.22 C ATOM 949 O LEU A 60 -25.160 -15.143 -11.652 1.00 75.33 O ATOM 950 CB LEU A 60 -26.538 -12.596 -12.704 1.00 5.31 C ATOM 951 CG LEU A 60 -26.679 -13.259 -14.074 1.00 64.12 C ATOM 952 CD1 LEU A 60 -28.113 -13.707 -14.305 1.00 75.31 C ATOM 953 CD2 LEU A 60 -26.232 -12.309 -15.176 1.00 0.53 C ATOM 0 H LEU A 60 -25.288 -12.929 -10.238 1.00 52.43 H new ATOM 0 HA LEU A 60 -27.960 -13.510 -11.376 1.00 24.51 H new ATOM 0 HB2 LEU A 60 -27.180 -11.715 -12.681 1.00 5.31 H new ATOM 0 HB3 LEU A 60 -25.512 -12.245 -12.596 1.00 5.31 H new ATOM 0 HG LEU A 60 -26.036 -14.139 -14.097 1.00 64.12 H new ATOM 0 HD11 LEU A 60 -28.194 -14.177 -15.285 1.00 75.31 H new ATOM 0 HD12 LEU A 60 -28.399 -14.423 -13.535 1.00 75.31 H new ATOM 0 HD13 LEU A 60 -28.776 -12.843 -14.261 1.00 75.31 H new ATOM 0 HD21 LEU A 60 -26.339 -12.798 -16.144 1.00 0.53 H new ATOM 0 HD22 LEU A 60 -26.848 -11.410 -15.153 1.00 0.53 H new ATOM 0 HD23 LEU A 60 -25.188 -12.037 -15.021 1.00 0.53 H new ATOM 965 N SER A 61 -27.283 -15.810 -11.994 1.00 73.30 N ATOM 966 CA SER A 61 -26.923 -17.204 -12.229 1.00 53.14 C ATOM 967 C SER A 61 -26.894 -17.513 -13.723 1.00 4.51 C ATOM 968 O SER A 61 -27.505 -16.808 -14.526 1.00 61.01 O ATOM 969 CB SER A 61 -27.913 -18.134 -11.524 1.00 5.52 C ATOM 970 OG SER A 61 -29.001 -18.458 -12.370 1.00 63.34 O ATOM 0 H SER A 61 -28.282 -15.616 -12.057 1.00 73.30 H new ATOM 0 HA SER A 61 -25.926 -17.370 -11.822 1.00 53.14 H new ATOM 0 HB2 SER A 61 -27.403 -19.047 -11.217 1.00 5.52 H new ATOM 0 HB3 SER A 61 -28.284 -17.655 -10.617 1.00 5.52 H new ATOM 0 HG SER A 61 -29.831 -18.461 -11.849 1.00 63.34 H new ATOM 976 N PHE A 62 -26.179 -18.572 -14.087 1.00 45.00 N ATOM 977 CA PHE A 62 -26.068 -18.976 -15.484 1.00 41.51 C ATOM 978 C PHE A 62 -26.178 -20.491 -15.623 1.00 21.32 C ATOM 979 O PHE A 62 -26.059 -21.227 -14.642 1.00 63.33 O ATOM 980 CB PHE A 62 -24.740 -18.493 -16.073 1.00 71.10 C ATOM 981 CG PHE A 62 -24.745 -17.039 -16.448 1.00 22.35 C ATOM 982 CD1 PHE A 62 -25.266 -16.625 -17.663 1.00 21.14 C ATOM 983 CD2 PHE A 62 -24.225 -16.086 -15.587 1.00 0.32 C ATOM 984 CE1 PHE A 62 -25.271 -15.287 -18.012 1.00 34.30 C ATOM 985 CE2 PHE A 62 -24.229 -14.747 -15.929 1.00 63.31 C ATOM 986 CZ PHE A 62 -24.752 -14.347 -17.144 1.00 23.44 C ATOM 0 H PHE A 62 -25.668 -19.166 -13.434 1.00 45.00 H new ATOM 0 HA PHE A 62 -26.890 -18.518 -16.035 1.00 41.51 H new ATOM 0 HB2 PHE A 62 -23.945 -18.671 -15.349 1.00 71.10 H new ATOM 0 HB3 PHE A 62 -24.506 -19.087 -16.956 1.00 71.10 H new ATOM 0 HD1 PHE A 62 -25.673 -17.356 -18.346 1.00 21.14 H new ATOM 0 HD2 PHE A 62 -23.812 -16.393 -14.638 1.00 0.32 H new ATOM 0 HE1 PHE A 62 -25.680 -14.978 -18.962 1.00 34.30 H new ATOM 0 HE2 PHE A 62 -23.824 -14.014 -15.247 1.00 63.31 H new ATOM 0 HZ PHE A 62 -24.755 -13.301 -17.414 1.00 23.44 H new ATOM 996 N THR A 63 -26.407 -20.953 -16.849 1.00 45.43 N ATOM 997 CA THR A 63 -26.534 -22.379 -17.118 1.00 15.24 C ATOM 998 C THR A 63 -25.172 -23.018 -17.358 1.00 43.02 C ATOM 999 O THR A 63 -24.835 -24.037 -16.754 1.00 61.34 O ATOM 1000 CB THR A 63 -27.435 -22.643 -18.338 1.00 51.32 C ATOM 1001 OG1 THR A 63 -28.366 -21.566 -18.502 1.00 11.11 O ATOM 1002 CG2 THR A 63 -28.192 -23.953 -18.180 1.00 44.21 C ATOM 0 H THR A 63 -26.508 -20.359 -17.672 1.00 45.43 H new ATOM 0 HA THR A 63 -26.991 -22.827 -16.235 1.00 15.24 H new ATOM 0 HB THR A 63 -26.800 -22.713 -19.221 1.00 51.32 H new ATOM 0 HG1 THR A 63 -28.934 -21.741 -19.281 1.00 11.11 H new ATOM 0 HG21 THR A 63 -28.822 -24.117 -19.055 1.00 44.21 H new ATOM 0 HG22 THR A 63 -27.482 -24.774 -18.085 1.00 44.21 H new ATOM 0 HG23 THR A 63 -28.816 -23.907 -17.287 1.00 44.21 H new ATOM 1010 N THR A 64 -24.388 -22.412 -18.245 1.00 51.01 N ATOM 1011 CA THR A 64 -23.061 -22.922 -18.567 1.00 52.45 C ATOM 1012 C THR A 64 -22.014 -21.817 -18.489 1.00 43.42 C ATOM 1013 O THR A 64 -22.342 -20.632 -18.556 1.00 12.03 O ATOM 1014 CB THR A 64 -23.026 -23.548 -19.973 1.00 71.44 C ATOM 1015 OG1 THR A 64 -23.890 -22.823 -20.856 1.00 1.22 O ATOM 1016 CG2 THR A 64 -23.451 -25.009 -19.927 1.00 12.43 C ATOM 0 H THR A 64 -24.650 -21.567 -18.753 1.00 51.01 H new ATOM 0 HA THR A 64 -22.830 -23.691 -17.829 1.00 52.45 H new ATOM 0 HB THR A 64 -22.002 -23.495 -20.343 1.00 71.44 H new ATOM 0 HG1 THR A 64 -23.860 -23.227 -21.748 1.00 1.22 H new ATOM 0 HG21 THR A 64 -23.418 -25.429 -20.932 1.00 12.43 H new ATOM 0 HG22 THR A 64 -22.773 -25.565 -19.279 1.00 12.43 H new ATOM 0 HG23 THR A 64 -24.466 -25.080 -19.537 1.00 12.43 H new ATOM 1024 N ARG A 65 -20.753 -22.212 -18.349 1.00 63.22 N ATOM 1025 CA ARG A 65 -19.657 -21.254 -18.262 1.00 12.31 C ATOM 1026 C ARG A 65 -19.614 -20.364 -19.500 1.00 22.01 C ATOM 1027 O ARG A 65 -19.353 -19.165 -19.405 1.00 11.42 O ATOM 1028 CB ARG A 65 -18.324 -21.986 -18.099 1.00 23.31 C ATOM 1029 CG ARG A 65 -17.968 -22.873 -19.282 1.00 3.42 C ATOM 1030 CD ARG A 65 -16.986 -23.964 -18.884 1.00 63.15 C ATOM 1031 NE ARG A 65 -15.691 -23.417 -18.486 1.00 12.12 N ATOM 1032 CZ ARG A 65 -14.753 -24.126 -17.868 1.00 11.40 C ATOM 1033 NH1 ARG A 65 -14.965 -25.402 -17.578 1.00 21.44 N ATOM 1034 NH2 ARG A 65 -13.601 -23.557 -17.536 1.00 75.54 N ATOM 0 H ARG A 65 -20.465 -23.189 -18.293 1.00 63.22 H new ATOM 0 HA ARG A 65 -19.826 -20.624 -17.389 1.00 12.31 H new ATOM 0 HB2 ARG A 65 -17.531 -21.252 -17.954 1.00 23.31 H new ATOM 0 HB3 ARG A 65 -18.362 -22.596 -17.197 1.00 23.31 H new ATOM 0 HG2 ARG A 65 -18.874 -23.326 -19.684 1.00 3.42 H new ATOM 0 HG3 ARG A 65 -17.536 -22.265 -20.077 1.00 3.42 H new ATOM 0 HD2 ARG A 65 -17.403 -24.544 -18.061 1.00 63.15 H new ATOM 0 HD3 ARG A 65 -16.848 -24.650 -19.720 1.00 63.15 H new ATOM 0 HE ARG A 65 -15.497 -22.438 -18.694 1.00 12.12 H new ATOM 0 HH11 ARG A 65 -15.850 -25.842 -17.829 1.00 21.44 H new ATOM 0 HH12 ARG A 65 -14.243 -25.944 -17.103 1.00 21.44 H new ATOM 0 HH21 ARG A 65 -13.435 -22.575 -17.755 1.00 75.54 H new ATOM 0 HH22 ARG A 65 -12.881 -24.102 -17.061 1.00 75.54 H new ATOM 1048 N GLU A 66 -19.871 -20.959 -20.660 1.00 24.44 N ATOM 1049 CA GLU A 66 -19.859 -20.219 -21.917 1.00 40.31 C ATOM 1050 C GLU A 66 -20.752 -18.985 -21.830 1.00 10.44 C ATOM 1051 O GLU A 66 -20.498 -17.973 -22.484 1.00 63.21 O ATOM 1052 CB GLU A 66 -20.321 -21.116 -23.067 1.00 73.21 C ATOM 1053 CG GLU A 66 -19.477 -22.368 -23.241 1.00 4.23 C ATOM 1054 CD GLU A 66 -20.180 -23.438 -24.052 1.00 55.20 C ATOM 1055 OE1 GLU A 66 -21.306 -23.825 -23.676 1.00 53.40 O ATOM 1056 OE2 GLU A 66 -19.604 -23.889 -25.065 1.00 42.51 O ATOM 0 H GLU A 66 -20.090 -21.951 -20.756 1.00 24.44 H new ATOM 0 HA GLU A 66 -18.836 -19.894 -22.108 1.00 40.31 H new ATOM 0 HB2 GLU A 66 -21.357 -21.408 -22.895 1.00 73.21 H new ATOM 0 HB3 GLU A 66 -20.301 -20.543 -23.994 1.00 73.21 H new ATOM 0 HG2 GLU A 66 -18.539 -22.104 -23.730 1.00 4.23 H new ATOM 0 HG3 GLU A 66 -19.223 -22.769 -22.260 1.00 4.23 H new ATOM 1063 N LEU A 67 -21.798 -19.075 -21.016 1.00 73.23 N ATOM 1064 CA LEU A 67 -22.730 -17.966 -20.843 1.00 20.35 C ATOM 1065 C LEU A 67 -22.194 -16.958 -19.831 1.00 41.20 C ATOM 1066 O LEU A 67 -22.371 -15.751 -19.991 1.00 52.33 O ATOM 1067 CB LEU A 67 -24.094 -18.488 -20.387 1.00 1.10 C ATOM 1068 CG LEU A 67 -25.312 -17.870 -21.073 1.00 75.50 C ATOM 1069 CD1 LEU A 67 -25.243 -18.085 -22.578 1.00 41.11 C ATOM 1070 CD2 LEU A 67 -26.598 -18.457 -20.508 1.00 43.01 C ATOM 0 H LEU A 67 -22.022 -19.904 -20.466 1.00 73.23 H new ATOM 0 HA LEU A 67 -22.842 -17.464 -21.804 1.00 20.35 H new ATOM 0 HB2 LEU A 67 -24.120 -19.566 -20.547 1.00 1.10 H new ATOM 0 HB3 LEU A 67 -24.184 -18.322 -19.313 1.00 1.10 H new ATOM 0 HG LEU A 67 -25.309 -16.798 -20.878 1.00 75.50 H new ATOM 0 HD11 LEU A 67 -26.118 -17.638 -23.050 1.00 41.11 H new ATOM 0 HD12 LEU A 67 -24.340 -17.617 -22.971 1.00 41.11 H new ATOM 0 HD13 LEU A 67 -25.221 -19.154 -22.792 1.00 41.11 H new ATOM 0 HD21 LEU A 67 -27.455 -18.005 -21.008 1.00 43.01 H new ATOM 0 HD22 LEU A 67 -26.609 -19.535 -20.672 1.00 43.01 H new ATOM 0 HD23 LEU A 67 -26.653 -18.252 -19.439 1.00 43.01 H new ATOM 1082 N ALA A 68 -21.537 -17.463 -18.792 1.00 51.32 N ATOM 1083 CA ALA A 68 -20.971 -16.606 -17.757 1.00 54.00 C ATOM 1084 C ALA A 68 -19.835 -15.754 -18.310 1.00 63.32 C ATOM 1085 O ALA A 68 -19.941 -14.529 -18.379 1.00 72.13 O ATOM 1086 CB ALA A 68 -20.483 -17.445 -16.586 1.00 34.24 C ATOM 0 H ALA A 68 -21.384 -18.461 -18.645 1.00 51.32 H new ATOM 0 HA ALA A 68 -21.755 -15.935 -17.407 1.00 54.00 H new ATOM 0 HB1 ALA A 68 -20.063 -16.792 -15.821 1.00 34.24 H new ATOM 0 HB2 ALA A 68 -21.319 -18.005 -16.166 1.00 34.24 H new ATOM 0 HB3 ALA A 68 -19.717 -18.140 -16.930 1.00 34.24 H new ATOM 1092 N ILE A 69 -18.747 -16.409 -18.703 1.00 73.42 N ATOM 1093 CA ILE A 69 -17.591 -15.711 -19.251 1.00 0.52 C ATOM 1094 C ILE A 69 -17.997 -14.787 -20.394 1.00 72.24 C ATOM 1095 O ILE A 69 -17.416 -13.718 -20.579 1.00 74.30 O ATOM 1096 CB ILE A 69 -16.525 -16.699 -19.758 1.00 1.32 C ATOM 1097 CG1 ILE A 69 -15.963 -17.519 -18.594 1.00 52.02 C ATOM 1098 CG2 ILE A 69 -15.409 -15.953 -20.474 1.00 63.54 C ATOM 1099 CD1 ILE A 69 -16.651 -18.853 -18.408 1.00 22.42 C ATOM 0 H ILE A 69 -18.642 -17.422 -18.652 1.00 73.42 H new ATOM 0 HA ILE A 69 -17.168 -15.117 -18.441 1.00 0.52 H new ATOM 0 HB ILE A 69 -16.992 -17.382 -20.467 1.00 1.32 H new ATOM 0 HG12 ILE A 69 -14.899 -17.688 -18.759 1.00 52.02 H new ATOM 0 HG13 ILE A 69 -16.055 -16.941 -17.675 1.00 52.02 H new ATOM 0 HG21 ILE A 69 -14.663 -16.665 -20.827 1.00 63.54 H new ATOM 0 HG22 ILE A 69 -15.822 -15.409 -21.324 1.00 63.54 H new ATOM 0 HG23 ILE A 69 -14.942 -15.249 -19.785 1.00 63.54 H new ATOM 0 HD11 ILE A 69 -16.202 -19.380 -17.566 1.00 22.42 H new ATOM 0 HD12 ILE A 69 -17.711 -18.691 -18.211 1.00 22.42 H new ATOM 0 HD13 ILE A 69 -16.537 -19.450 -19.313 1.00 22.42 H new ATOM 1111 N ALA A 70 -19.001 -15.207 -21.158 1.00 3.43 N ATOM 1112 CA ALA A 70 -19.488 -14.416 -22.281 1.00 65.41 C ATOM 1113 C ALA A 70 -19.900 -13.019 -21.832 1.00 2.31 C ATOM 1114 O ALA A 70 -19.789 -12.054 -22.588 1.00 24.43 O ATOM 1115 CB ALA A 70 -20.655 -15.122 -22.956 1.00 54.45 C ATOM 0 H ALA A 70 -19.492 -16.090 -21.019 1.00 3.43 H new ATOM 0 HA ALA A 70 -18.675 -14.312 -23.000 1.00 65.41 H new ATOM 0 HB1 ALA A 70 -21.009 -14.520 -23.793 1.00 54.45 H new ATOM 0 HB2 ALA A 70 -20.329 -16.096 -23.321 1.00 54.45 H new ATOM 0 HB3 ALA A 70 -21.464 -15.256 -22.238 1.00 54.45 H new ATOM 1121 N TYR A 71 -20.377 -12.917 -20.596 1.00 44.22 N ATOM 1122 CA TYR A 71 -20.809 -11.637 -20.046 1.00 1.21 C ATOM 1123 C TYR A 71 -19.610 -10.750 -19.723 1.00 22.45 C ATOM 1124 O TYR A 71 -19.534 -9.605 -20.164 1.00 54.35 O ATOM 1125 CB TYR A 71 -21.649 -11.856 -18.787 1.00 60.52 C ATOM 1126 CG TYR A 71 -23.125 -11.600 -18.992 1.00 52.12 C ATOM 1127 CD1 TYR A 71 -23.772 -12.030 -20.143 1.00 72.15 C ATOM 1128 CD2 TYR A 71 -23.873 -10.927 -18.033 1.00 22.22 C ATOM 1129 CE1 TYR A 71 -25.120 -11.796 -20.335 1.00 44.20 C ATOM 1130 CE2 TYR A 71 -25.222 -10.691 -18.215 1.00 25.31 C ATOM 1131 CZ TYR A 71 -25.840 -11.127 -19.368 1.00 1.30 C ATOM 1132 OH TYR A 71 -27.184 -10.893 -19.554 1.00 51.21 O ATOM 0 H TYR A 71 -20.474 -13.705 -19.956 1.00 44.22 H new ATOM 0 HA TYR A 71 -21.418 -11.135 -20.798 1.00 1.21 H new ATOM 0 HB2 TYR A 71 -21.511 -12.881 -18.442 1.00 60.52 H new ATOM 0 HB3 TYR A 71 -21.282 -11.201 -17.997 1.00 60.52 H new ATOM 0 HD1 TYR A 71 -23.212 -12.557 -20.901 1.00 72.15 H new ATOM 0 HD2 TYR A 71 -23.391 -10.583 -17.130 1.00 22.22 H new ATOM 0 HE1 TYR A 71 -25.607 -12.135 -21.237 1.00 44.20 H new ATOM 0 HE2 TYR A 71 -25.789 -10.168 -17.459 1.00 25.31 H new ATOM 0 HH TYR A 71 -27.543 -10.412 -18.779 1.00 51.21 H new ATOM 1142 N ALA A 72 -18.674 -11.292 -18.950 1.00 5.31 N ATOM 1143 CA ALA A 72 -17.477 -10.552 -18.569 1.00 33.44 C ATOM 1144 C ALA A 72 -16.674 -10.136 -19.798 1.00 11.12 C ATOM 1145 O ALA A 72 -16.379 -8.957 -19.988 1.00 52.55 O ATOM 1146 CB ALA A 72 -16.616 -11.387 -17.632 1.00 73.52 C ATOM 0 H ALA A 72 -18.722 -12.240 -18.576 1.00 5.31 H new ATOM 0 HA ALA A 72 -17.790 -9.647 -18.048 1.00 33.44 H new ATOM 0 HB1 ALA A 72 -15.726 -10.822 -17.356 1.00 73.52 H new ATOM 0 HB2 ALA A 72 -17.185 -11.630 -16.734 1.00 73.52 H new ATOM 0 HB3 ALA A 72 -16.320 -12.308 -18.134 1.00 73.52 H new ATOM 1152 N VAL A 73 -16.323 -11.113 -20.628 1.00 61.54 N ATOM 1153 CA VAL A 73 -15.555 -10.847 -21.839 1.00 62.21 C ATOM 1154 C VAL A 73 -16.235 -9.789 -22.700 1.00 43.03 C ATOM 1155 O VAL A 73 -15.577 -9.064 -23.446 1.00 12.34 O ATOM 1156 CB VAL A 73 -15.364 -12.128 -22.674 1.00 22.03 C ATOM 1157 CG1 VAL A 73 -14.622 -11.817 -23.965 1.00 21.34 C ATOM 1158 CG2 VAL A 73 -14.625 -13.184 -21.866 1.00 61.12 C ATOM 0 H VAL A 73 -16.558 -12.095 -20.484 1.00 61.54 H new ATOM 0 HA VAL A 73 -14.579 -10.480 -21.521 1.00 62.21 H new ATOM 0 HB VAL A 73 -16.346 -12.523 -22.933 1.00 22.03 H new ATOM 0 HG11 VAL A 73 -14.496 -12.733 -24.542 1.00 21.34 H new ATOM 0 HG12 VAL A 73 -15.194 -11.096 -24.549 1.00 21.34 H new ATOM 0 HG13 VAL A 73 -13.643 -11.399 -23.730 1.00 21.34 H new ATOM 0 HG21 VAL A 73 -14.499 -14.082 -22.470 1.00 61.12 H new ATOM 0 HG22 VAL A 73 -13.647 -12.801 -21.576 1.00 61.12 H new ATOM 0 HG23 VAL A 73 -15.200 -13.426 -20.972 1.00 61.12 H new ATOM 1168 N ALA A 74 -17.557 -9.706 -22.592 1.00 61.25 N ATOM 1169 CA ALA A 74 -18.327 -8.735 -23.359 1.00 42.24 C ATOM 1170 C ALA A 74 -17.750 -7.332 -23.205 1.00 34.01 C ATOM 1171 O ALA A 74 -17.776 -6.531 -24.140 1.00 31.43 O ATOM 1172 CB ALA A 74 -19.785 -8.759 -22.929 1.00 54.40 C ATOM 0 H ALA A 74 -18.117 -10.300 -21.980 1.00 61.25 H new ATOM 0 HA ALA A 74 -18.267 -9.010 -24.412 1.00 42.24 H new ATOM 0 HB1 ALA A 74 -20.348 -8.029 -23.510 1.00 54.40 H new ATOM 0 HB2 ALA A 74 -20.198 -9.753 -23.098 1.00 54.40 H new ATOM 0 HB3 ALA A 74 -19.856 -8.512 -21.870 1.00 54.40 H new ATOM 1178 N HIS A 75 -17.230 -7.039 -22.016 1.00 63.53 N ATOM 1179 CA HIS A 75 -16.646 -5.731 -21.739 1.00 75.11 C ATOM 1180 C HIS A 75 -15.231 -5.873 -21.188 1.00 31.55 C ATOM 1181 O HIS A 75 -14.754 -5.017 -20.443 1.00 63.23 O ATOM 1182 CB HIS A 75 -17.517 -4.960 -20.747 1.00 14.03 C ATOM 1183 CG HIS A 75 -18.680 -4.265 -21.385 1.00 40.12 C ATOM 1184 ND1 HIS A 75 -18.603 -2.988 -21.901 1.00 12.14 N ATOM 1185 CD2 HIS A 75 -19.953 -4.676 -21.591 1.00 60.23 C ATOM 1186 CE1 HIS A 75 -19.779 -2.644 -22.395 1.00 63.12 C ATOM 1187 NE2 HIS A 75 -20.615 -3.650 -22.220 1.00 70.03 N ATOM 0 H HIS A 75 -17.201 -7.689 -21.230 1.00 63.53 H new ATOM 0 HA HIS A 75 -16.598 -5.177 -22.676 1.00 75.11 H new ATOM 0 HB2 HIS A 75 -17.888 -5.650 -19.989 1.00 14.03 H new ATOM 0 HB3 HIS A 75 -16.901 -4.222 -20.232 1.00 14.03 H new ATOM 0 HD2 HIS A 75 -20.370 -5.632 -21.313 1.00 60.23 H new ATOM 0 HE1 HIS A 75 -20.016 -1.700 -22.863 1.00 63.12 H new ATOM 0 HE2 HIS A 75 -21.594 -3.663 -22.506 1.00 70.03 H new ATOM 1195 N LYS A 76 -14.564 -6.961 -21.557 1.00 34.32 N ATOM 1196 CA LYS A 76 -13.203 -7.217 -21.100 1.00 72.22 C ATOM 1197 C LYS A 76 -13.110 -7.109 -19.582 1.00 23.05 C ATOM 1198 O LYS A 76 -12.141 -6.568 -19.048 1.00 33.12 O ATOM 1199 CB LYS A 76 -12.230 -6.233 -21.754 1.00 12.21 C ATOM 1200 CG LYS A 76 -12.413 -6.104 -23.256 1.00 45.41 C ATOM 1201 CD LYS A 76 -11.103 -5.772 -23.951 1.00 31.04 C ATOM 1202 CE LYS A 76 -10.303 -7.028 -24.261 1.00 70.00 C ATOM 1203 NZ LYS A 76 -9.415 -6.843 -25.442 1.00 4.21 N ATOM 0 H LYS A 76 -14.944 -7.681 -22.172 1.00 34.32 H new ATOM 0 HA LYS A 76 -12.933 -8.232 -21.391 1.00 72.22 H new ATOM 0 HB2 LYS A 76 -12.356 -5.252 -21.296 1.00 12.21 H new ATOM 0 HB3 LYS A 76 -11.209 -6.553 -21.547 1.00 12.21 H new ATOM 0 HG2 LYS A 76 -12.812 -7.036 -23.656 1.00 45.41 H new ATOM 0 HG3 LYS A 76 -13.146 -5.326 -23.469 1.00 45.41 H new ATOM 0 HD2 LYS A 76 -11.307 -5.232 -24.875 1.00 31.04 H new ATOM 0 HD3 LYS A 76 -10.512 -5.110 -23.319 1.00 31.04 H new ATOM 0 HE2 LYS A 76 -9.701 -7.299 -23.393 1.00 70.00 H new ATOM 0 HE3 LYS A 76 -10.986 -7.857 -24.447 1.00 70.00 H new ATOM 0 HZ1 LYS A 76 -8.887 -7.721 -25.620 1.00 4.21 H new ATOM 0 HZ2 LYS A 76 -9.991 -6.610 -26.276 1.00 4.21 H new ATOM 0 HZ3 LYS A 76 -8.746 -6.069 -25.255 1.00 4.21 H new ATOM 1217 N ILE A 77 -14.120 -7.628 -18.893 1.00 31.21 N ATOM 1218 CA ILE A 77 -14.148 -7.592 -17.436 1.00 55.54 C ATOM 1219 C ILE A 77 -13.350 -8.747 -16.842 1.00 15.42 C ATOM 1220 O ILE A 77 -13.437 -9.881 -17.311 1.00 20.32 O ATOM 1221 CB ILE A 77 -15.592 -7.650 -16.900 1.00 3.12 C ATOM 1222 CG1 ILE A 77 -16.433 -6.529 -17.514 1.00 31.02 C ATOM 1223 CG2 ILE A 77 -15.597 -7.553 -15.382 1.00 24.52 C ATOM 1224 CD1 ILE A 77 -17.919 -6.697 -17.289 1.00 43.30 C ATOM 0 H ILE A 77 -14.930 -8.078 -19.320 1.00 31.21 H new ATOM 0 HA ILE A 77 -13.694 -6.648 -17.134 1.00 55.54 H new ATOM 0 HB ILE A 77 -16.032 -8.606 -17.185 1.00 3.12 H new ATOM 0 HG12 ILE A 77 -16.115 -5.575 -17.093 1.00 31.02 H new ATOM 0 HG13 ILE A 77 -16.239 -6.485 -18.586 1.00 31.02 H new ATOM 0 HG21 ILE A 77 -16.624 -7.595 -15.018 1.00 24.52 H new ATOM 0 HG22 ILE A 77 -15.029 -8.383 -14.962 1.00 24.52 H new ATOM 0 HG23 ILE A 77 -15.142 -6.611 -15.076 1.00 24.52 H new ATOM 0 HD11 ILE A 77 -18.453 -5.867 -17.751 1.00 43.30 H new ATOM 0 HD12 ILE A 77 -18.251 -7.635 -17.735 1.00 43.30 H new ATOM 0 HD13 ILE A 77 -18.126 -6.711 -16.219 1.00 43.30 H new ATOM 1236 N ASP A 78 -12.574 -8.450 -15.804 1.00 53.41 N ATOM 1237 CA ASP A 78 -11.763 -9.464 -15.142 1.00 22.51 C ATOM 1238 C ASP A 78 -12.630 -10.383 -14.287 1.00 50.11 C ATOM 1239 O ASP A 78 -12.978 -10.047 -13.155 1.00 11.14 O ATOM 1240 CB ASP A 78 -10.690 -8.803 -14.275 1.00 12.32 C ATOM 1241 CG ASP A 78 -10.091 -7.574 -14.931 1.00 74.11 C ATOM 1242 OD1 ASP A 78 -9.274 -7.736 -15.862 1.00 1.33 O ATOM 1243 OD2 ASP A 78 -10.441 -6.450 -14.515 1.00 32.24 O ATOM 0 H ASP A 78 -12.490 -7.515 -15.404 1.00 53.41 H new ATOM 0 HA ASP A 78 -11.279 -10.065 -15.912 1.00 22.51 H new ATOM 0 HB2 ASP A 78 -11.124 -8.524 -13.315 1.00 12.32 H new ATOM 0 HB3 ASP A 78 -9.898 -9.524 -14.069 1.00 12.32 H new ATOM 1248 N TYR A 79 -12.976 -11.541 -14.837 1.00 54.44 N ATOM 1249 CA TYR A 79 -13.807 -12.506 -14.127 1.00 21.44 C ATOM 1250 C TYR A 79 -12.954 -13.615 -13.519 1.00 12.23 C ATOM 1251 O TYR A 79 -12.008 -14.101 -14.141 1.00 12.55 O ATOM 1252 CB TYR A 79 -14.848 -13.109 -15.072 1.00 5.21 C ATOM 1253 CG TYR A 79 -14.244 -13.898 -16.212 1.00 54.12 C ATOM 1254 CD1 TYR A 79 -13.872 -13.271 -17.395 1.00 25.13 C ATOM 1255 CD2 TYR A 79 -14.050 -15.269 -16.108 1.00 32.32 C ATOM 1256 CE1 TYR A 79 -13.321 -13.988 -18.440 1.00 52.21 C ATOM 1257 CE2 TYR A 79 -13.498 -15.993 -17.147 1.00 75.23 C ATOM 1258 CZ TYR A 79 -13.136 -15.349 -18.311 1.00 1.11 C ATOM 1259 OH TYR A 79 -12.588 -16.067 -19.349 1.00 44.45 O ATOM 0 H TYR A 79 -12.694 -11.835 -15.772 1.00 54.44 H new ATOM 0 HA TYR A 79 -14.319 -11.981 -13.321 1.00 21.44 H new ATOM 0 HB2 TYR A 79 -15.511 -13.760 -14.502 1.00 5.21 H new ATOM 0 HB3 TYR A 79 -15.463 -12.307 -15.481 1.00 5.21 H new ATOM 0 HD1 TYR A 79 -14.016 -12.206 -17.499 1.00 25.13 H new ATOM 0 HD2 TYR A 79 -14.336 -15.778 -15.199 1.00 32.32 H new ATOM 0 HE1 TYR A 79 -13.037 -13.486 -19.353 1.00 52.21 H new ATOM 0 HE2 TYR A 79 -13.351 -17.058 -17.048 1.00 75.23 H new ATOM 0 HH TYR A 79 -12.525 -17.012 -19.096 1.00 44.45 H new ATOM 1269 N THR A 80 -13.295 -14.012 -12.296 1.00 2.11 N ATOM 1270 CA THR A 80 -12.561 -15.062 -11.601 1.00 32.31 C ATOM 1271 C THR A 80 -13.339 -16.372 -11.607 1.00 54.03 C ATOM 1272 O THR A 80 -14.526 -16.403 -11.280 1.00 14.40 O ATOM 1273 CB THR A 80 -12.257 -14.666 -10.144 1.00 42.52 C ATOM 1274 OG1 THR A 80 -11.604 -15.746 -9.469 1.00 32.13 O ATOM 1275 CG2 THR A 80 -13.534 -14.297 -9.405 1.00 74.35 C ATOM 0 H THR A 80 -14.075 -13.622 -11.767 1.00 2.11 H new ATOM 0 HA THR A 80 -11.621 -15.197 -12.136 1.00 32.31 H new ATOM 0 HB THR A 80 -11.600 -13.796 -10.157 1.00 42.52 H new ATOM 0 HG1 THR A 80 -11.413 -15.486 -8.544 1.00 32.13 H new ATOM 0 HG21 THR A 80 -13.293 -14.021 -8.378 1.00 74.35 H new ATOM 0 HG22 THR A 80 -14.013 -13.455 -9.904 1.00 74.35 H new ATOM 0 HG23 THR A 80 -14.212 -15.150 -9.402 1.00 74.35 H new ATOM 1283 N VAL A 81 -12.665 -17.454 -11.982 1.00 32.43 N ATOM 1284 CA VAL A 81 -13.293 -18.770 -12.028 1.00 53.43 C ATOM 1285 C VAL A 81 -12.999 -19.565 -10.761 1.00 52.15 C ATOM 1286 O VAL A 81 -11.847 -19.896 -10.476 1.00 52.24 O ATOM 1287 CB VAL A 81 -12.817 -19.576 -13.251 1.00 14.02 C ATOM 1288 CG1 VAL A 81 -13.539 -20.913 -13.323 1.00 10.41 C ATOM 1289 CG2 VAL A 81 -13.024 -18.779 -14.529 1.00 33.10 C ATOM 0 H VAL A 81 -11.683 -17.446 -12.259 1.00 32.43 H new ATOM 0 HA VAL A 81 -14.368 -18.605 -12.107 1.00 53.43 H new ATOM 0 HB VAL A 81 -11.750 -19.772 -13.142 1.00 14.02 H new ATOM 0 HG11 VAL A 81 -13.190 -21.469 -14.193 1.00 10.41 H new ATOM 0 HG12 VAL A 81 -13.333 -21.487 -12.419 1.00 10.41 H new ATOM 0 HG13 VAL A 81 -14.612 -20.743 -13.408 1.00 10.41 H new ATOM 0 HG21 VAL A 81 -12.682 -19.365 -15.382 1.00 33.10 H new ATOM 0 HG22 VAL A 81 -14.083 -18.550 -14.647 1.00 33.10 H new ATOM 0 HG23 VAL A 81 -12.456 -17.850 -14.475 1.00 33.10 H new ATOM 1299 N LEU A 82 -14.047 -19.870 -10.005 1.00 34.03 N ATOM 1300 CA LEU A 82 -13.901 -20.628 -8.766 1.00 54.14 C ATOM 1301 C LEU A 82 -14.473 -22.034 -8.919 1.00 13.22 C ATOM 1302 O LEU A 82 -15.685 -22.211 -9.044 1.00 64.13 O ATOM 1303 CB LEU A 82 -14.602 -19.903 -7.616 1.00 51.11 C ATOM 1304 CG LEU A 82 -13.850 -19.874 -6.285 1.00 51.43 C ATOM 1305 CD1 LEU A 82 -14.421 -18.797 -5.373 1.00 30.42 C ATOM 1306 CD2 LEU A 82 -13.910 -21.235 -5.608 1.00 61.40 C ATOM 0 H LEU A 82 -15.007 -19.605 -10.227 1.00 34.03 H new ATOM 0 HA LEU A 82 -12.838 -20.710 -8.541 1.00 54.14 H new ATOM 0 HB2 LEU A 82 -14.795 -18.875 -7.924 1.00 51.11 H new ATOM 0 HB3 LEU A 82 -15.571 -20.374 -7.453 1.00 51.11 H new ATOM 0 HG LEU A 82 -12.805 -19.636 -6.485 1.00 51.43 H new ATOM 0 HD11 LEU A 82 -13.874 -18.791 -4.430 1.00 30.42 H new ATOM 0 HD12 LEU A 82 -14.325 -17.824 -5.855 1.00 30.42 H new ATOM 0 HD13 LEU A 82 -15.474 -19.004 -5.180 1.00 30.42 H new ATOM 0 HD21 LEU A 82 -13.369 -21.195 -4.662 1.00 61.40 H new ATOM 0 HD22 LEU A 82 -14.950 -21.503 -5.421 1.00 61.40 H new ATOM 0 HD23 LEU A 82 -13.454 -21.984 -6.255 1.00 61.40 H new ATOM 1318 N GLN A 83 -13.593 -23.030 -8.904 1.00 40.25 N ATOM 1319 CA GLN A 83 -14.011 -24.420 -9.039 1.00 61.21 C ATOM 1320 C GLN A 83 -13.410 -25.279 -7.932 1.00 61.20 C ATOM 1321 O GLN A 83 -12.477 -24.862 -7.246 1.00 64.11 O ATOM 1322 CB GLN A 83 -13.598 -24.968 -10.407 1.00 75.31 C ATOM 1323 CG GLN A 83 -12.150 -24.678 -10.766 1.00 61.52 C ATOM 1324 CD GLN A 83 -11.788 -25.154 -12.160 1.00 33.40 C ATOM 1325 OE1 GLN A 83 -12.202 -26.232 -12.587 1.00 72.44 O ATOM 1326 NE2 GLN A 83 -11.012 -24.350 -12.877 1.00 74.52 N ATOM 0 H GLN A 83 -12.587 -22.900 -8.800 1.00 40.25 H new ATOM 0 HA GLN A 83 -15.097 -24.457 -8.953 1.00 61.21 H new ATOM 0 HB2 GLN A 83 -13.758 -26.046 -10.421 1.00 75.31 H new ATOM 0 HB3 GLN A 83 -14.246 -24.540 -11.172 1.00 75.31 H new ATOM 0 HG2 GLN A 83 -11.970 -23.605 -10.694 1.00 61.52 H new ATOM 0 HG3 GLN A 83 -11.496 -25.161 -10.040 1.00 61.52 H new ATOM 0 HE21 GLN A 83 -10.692 -23.465 -12.483 1.00 74.52 H new ATOM 0 HE22 GLN A 83 -10.736 -24.617 -13.822 1.00 74.52 H new ATOM 1335 N ASP A 84 -13.950 -26.481 -7.763 1.00 70.23 N ATOM 1336 CA ASP A 84 -13.466 -27.400 -6.739 1.00 55.33 C ATOM 1337 C ASP A 84 -12.587 -28.484 -7.353 1.00 54.44 C ATOM 1338 O ASP A 84 -12.935 -29.074 -8.375 1.00 33.25 O ATOM 1339 CB ASP A 84 -14.644 -28.038 -6.000 1.00 23.44 C ATOM 1340 CG ASP A 84 -14.261 -28.531 -4.618 1.00 71.51 C ATOM 1341 OD1 ASP A 84 -13.091 -28.344 -4.224 1.00 4.15 O ATOM 1342 OD2 ASP A 84 -15.131 -29.105 -3.931 1.00 1.12 O ATOM 0 H ASP A 84 -14.723 -26.842 -8.322 1.00 70.23 H new ATOM 0 HA ASP A 84 -12.866 -26.831 -6.029 1.00 55.33 H new ATOM 0 HB2 ASP A 84 -15.451 -27.311 -5.913 1.00 23.44 H new ATOM 0 HB3 ASP A 84 -15.029 -28.872 -6.587 1.00 23.44 H new ATOM 1347 N ASN A 85 -11.446 -28.740 -6.723 1.00 21.13 N ATOM 1348 CA ASN A 85 -10.515 -29.753 -7.208 1.00 42.13 C ATOM 1349 C ASN A 85 -10.001 -29.396 -8.600 1.00 61.44 C ATOM 1350 O ASN A 85 -10.342 -30.033 -9.598 1.00 10.33 O ATOM 1351 CB ASN A 85 -11.191 -31.124 -7.239 1.00 12.22 C ATOM 1352 CG ASN A 85 -10.197 -32.256 -7.418 1.00 4.12 C ATOM 1353 OD1 ASN A 85 -9.127 -32.070 -7.998 1.00 13.13 O ATOM 1354 ND2 ASN A 85 -10.548 -33.436 -6.921 1.00 25.22 N ATOM 0 H ASN A 85 -11.143 -28.260 -5.875 1.00 21.13 H new ATOM 0 HA ASN A 85 -9.667 -29.789 -6.524 1.00 42.13 H new ATOM 0 HB2 ASN A 85 -11.745 -31.274 -6.312 1.00 12.22 H new ATOM 0 HB3 ASN A 85 -11.917 -31.150 -8.052 1.00 12.22 H new ATOM 0 HD21 ASN A 85 -9.920 -34.235 -7.012 1.00 25.22 H new ATOM 0 HD22 ASN A 85 -11.445 -33.544 -6.448 1.00 25.22 H new ATOM 1361 N PRO A 86 -9.159 -28.354 -8.671 1.00 2.10 N ATOM 1362 CA PRO A 86 -8.578 -27.889 -9.935 1.00 15.35 C ATOM 1363 C PRO A 86 -7.563 -28.874 -10.502 1.00 31.54 C ATOM 1364 O PRO A 86 -6.547 -29.167 -9.870 1.00 64.35 O ATOM 1365 CB PRO A 86 -7.893 -26.576 -9.549 1.00 20.33 C ATOM 1366 CG PRO A 86 -7.594 -26.718 -8.095 1.00 61.52 C ATOM 1367 CD PRO A 86 -8.709 -27.549 -7.523 1.00 63.11 C ATOM 0 HA PRO A 86 -9.332 -27.778 -10.714 1.00 15.35 H new ATOM 0 HB2 PRO A 86 -6.982 -26.420 -10.127 1.00 20.33 H new ATOM 0 HB3 PRO A 86 -8.541 -25.721 -9.738 1.00 20.33 H new ATOM 0 HG2 PRO A 86 -6.629 -27.200 -7.940 1.00 61.52 H new ATOM 0 HG3 PRO A 86 -7.545 -25.743 -7.610 1.00 61.52 H new ATOM 0 HD2 PRO A 86 -8.362 -28.178 -6.703 1.00 63.11 H new ATOM 0 HD3 PRO A 86 -9.513 -26.927 -7.129 1.00 63.11 H new ATOM 1375 N ARG A 87 -7.842 -29.383 -11.698 1.00 71.23 N ATOM 1376 CA ARG A 87 -6.953 -30.336 -12.351 1.00 1.24 C ATOM 1377 C ARG A 87 -7.396 -30.599 -13.786 1.00 42.23 C ATOM 1378 O ARG A 87 -8.466 -31.160 -14.024 1.00 62.45 O ATOM 1379 CB ARG A 87 -6.915 -31.650 -11.567 1.00 72.13 C ATOM 1380 CG ARG A 87 -5.875 -32.633 -12.077 1.00 72.40 C ATOM 1381 CD ARG A 87 -4.468 -32.209 -11.687 1.00 41.14 C ATOM 1382 NE ARG A 87 -3.459 -33.145 -12.174 1.00 14.22 N ATOM 1383 CZ ARG A 87 -2.178 -33.093 -11.823 1.00 72.42 C ATOM 1384 NH1 ARG A 87 -1.754 -32.156 -10.988 1.00 55.11 N ATOM 1385 NH2 ARG A 87 -1.320 -33.981 -12.309 1.00 11.31 N ATOM 0 H ARG A 87 -8.678 -29.151 -12.235 1.00 71.23 H new ATOM 0 HA ARG A 87 -5.952 -29.905 -12.373 1.00 1.24 H new ATOM 0 HB2 ARG A 87 -6.713 -31.432 -10.518 1.00 72.13 H new ATOM 0 HB3 ARG A 87 -7.898 -32.118 -11.612 1.00 72.13 H new ATOM 0 HG2 ARG A 87 -6.082 -33.625 -11.674 1.00 72.40 H new ATOM 0 HG3 ARG A 87 -5.946 -32.708 -13.162 1.00 72.40 H new ATOM 0 HD2 ARG A 87 -4.265 -31.216 -12.088 1.00 41.14 H new ATOM 0 HD3 ARG A 87 -4.400 -32.135 -10.602 1.00 41.14 H new ATOM 0 HE ARG A 87 -3.753 -33.879 -12.819 1.00 14.22 H new ATOM 0 HH11 ARG A 87 -2.411 -31.472 -10.613 1.00 55.11 H new ATOM 0 HH12 ARG A 87 -0.770 -32.119 -10.720 1.00 55.11 H new ATOM 0 HH21 ARG A 87 -1.643 -34.704 -12.952 1.00 11.31 H new ATOM 0 HH22 ARG A 87 -0.337 -33.941 -12.040 1.00 11.31 H new ATOM 1399 N THR A 88 -6.567 -30.189 -14.740 1.00 65.43 N ATOM 1400 CA THR A 88 -6.874 -30.378 -16.153 1.00 41.30 C ATOM 1401 C THR A 88 -5.693 -30.997 -16.894 1.00 60.14 C ATOM 1402 O THR A 88 -4.550 -30.573 -16.722 1.00 75.34 O ATOM 1403 CB THR A 88 -7.249 -29.046 -16.830 1.00 33.51 C ATOM 1404 OG1 THR A 88 -7.553 -29.268 -18.212 1.00 55.43 O ATOM 1405 CG2 THR A 88 -6.114 -28.040 -16.711 1.00 33.11 C ATOM 0 H THR A 88 -5.677 -29.724 -14.560 1.00 65.43 H new ATOM 0 HA THR A 88 -7.727 -31.055 -16.203 1.00 41.30 H new ATOM 0 HB THR A 88 -8.126 -28.641 -16.325 1.00 33.51 H new ATOM 0 HG1 THR A 88 -7.792 -28.417 -18.635 1.00 55.43 H new ATOM 0 HG21 THR A 88 -6.402 -27.107 -17.196 1.00 33.11 H new ATOM 0 HG22 THR A 88 -5.904 -27.851 -15.658 1.00 33.11 H new ATOM 0 HG23 THR A 88 -5.222 -28.439 -17.193 1.00 33.11 H new ATOM 1413 N ILE A 89 -5.978 -31.999 -17.718 1.00 64.05 N ATOM 1414 CA ILE A 89 -4.940 -32.674 -18.486 1.00 63.25 C ATOM 1415 C ILE A 89 -4.809 -32.072 -19.882 1.00 12.34 C ATOM 1416 O ILE A 89 -5.805 -31.715 -20.512 1.00 12.31 O ATOM 1417 CB ILE A 89 -5.225 -34.182 -18.615 1.00 64.11 C ATOM 1418 CG1 ILE A 89 -5.400 -34.810 -17.231 1.00 60.14 C ATOM 1419 CG2 ILE A 89 -4.101 -34.871 -19.376 1.00 52.44 C ATOM 1420 CD1 ILE A 89 -6.823 -34.754 -16.719 1.00 4.33 C ATOM 0 H ILE A 89 -6.919 -32.361 -17.871 1.00 64.05 H new ATOM 0 HA ILE A 89 -4.005 -32.534 -17.943 1.00 63.25 H new ATOM 0 HB ILE A 89 -6.151 -34.315 -19.174 1.00 64.11 H new ATOM 0 HG12 ILE A 89 -5.077 -35.850 -17.269 1.00 60.14 H new ATOM 0 HG13 ILE A 89 -4.747 -34.299 -16.523 1.00 60.14 H new ATOM 0 HG21 ILE A 89 -4.317 -35.936 -19.459 1.00 52.44 H new ATOM 0 HG22 ILE A 89 -4.019 -34.439 -20.373 1.00 52.44 H new ATOM 0 HG23 ILE A 89 -3.161 -34.732 -18.842 1.00 52.44 H new ATOM 0 HD11 ILE A 89 -6.874 -35.217 -15.733 1.00 4.33 H new ATOM 0 HD12 ILE A 89 -7.144 -33.715 -16.649 1.00 4.33 H new ATOM 0 HD13 ILE A 89 -7.478 -35.290 -17.406 1.00 4.33 H new ATOM 1432 N VAL A 90 -3.573 -31.964 -20.360 1.00 74.04 N ATOM 1433 CA VAL A 90 -3.312 -31.409 -21.683 1.00 40.45 C ATOM 1434 C VAL A 90 -3.939 -30.026 -21.832 1.00 23.11 C ATOM 1435 O VAL A 90 -4.917 -29.836 -22.555 1.00 72.14 O ATOM 1436 CB VAL A 90 -3.852 -32.327 -22.795 1.00 70.41 C ATOM 1437 CG1 VAL A 90 -3.411 -31.827 -24.162 1.00 13.13 C ATOM 1438 CG2 VAL A 90 -3.395 -33.760 -22.570 1.00 35.25 C ATOM 0 H VAL A 90 -2.738 -32.253 -19.851 1.00 74.04 H new ATOM 0 HA VAL A 90 -2.230 -31.328 -21.784 1.00 40.45 H new ATOM 0 HB VAL A 90 -4.941 -32.307 -22.762 1.00 70.41 H new ATOM 0 HG11 VAL A 90 -3.802 -32.489 -24.935 1.00 13.13 H new ATOM 0 HG12 VAL A 90 -3.792 -30.818 -24.321 1.00 13.13 H new ATOM 0 HG13 VAL A 90 -2.322 -31.815 -24.211 1.00 13.13 H new ATOM 0 HG21 VAL A 90 -3.785 -34.395 -23.365 1.00 35.25 H new ATOM 0 HG22 VAL A 90 -2.306 -33.800 -22.576 1.00 35.25 H new ATOM 0 HG23 VAL A 90 -3.766 -34.113 -21.608 1.00 35.25 H new ATOM 1448 N PRO A 91 -3.364 -29.037 -21.133 1.00 3.14 N ATOM 1449 CA PRO A 91 -3.848 -27.654 -21.172 1.00 53.10 C ATOM 1450 C PRO A 91 -3.588 -26.987 -22.517 1.00 42.35 C ATOM 1451 O PRO A 91 -2.645 -27.338 -23.225 1.00 22.21 O ATOM 1452 CB PRO A 91 -3.042 -26.964 -20.068 1.00 74.34 C ATOM 1453 CG PRO A 91 -1.798 -27.774 -19.945 1.00 62.34 C ATOM 1454 CD PRO A 91 -2.194 -29.192 -20.251 1.00 14.02 C ATOM 0 HA PRO A 91 -4.927 -27.596 -21.030 1.00 53.10 H new ATOM 0 HB2 PRO A 91 -2.817 -25.930 -20.329 1.00 74.34 H new ATOM 0 HB3 PRO A 91 -3.595 -26.942 -19.129 1.00 74.34 H new ATOM 0 HG2 PRO A 91 -1.034 -27.424 -20.639 1.00 62.34 H new ATOM 0 HG3 PRO A 91 -1.378 -27.694 -18.942 1.00 62.34 H new ATOM 0 HD2 PRO A 91 -1.389 -29.737 -20.744 1.00 14.02 H new ATOM 0 HD3 PRO A 91 -2.444 -29.744 -19.345 1.00 14.02 H new ATOM 1462 N LYS A 92 -4.432 -26.020 -22.866 1.00 71.44 N ATOM 1463 CA LYS A 92 -4.293 -25.301 -24.127 1.00 13.05 C ATOM 1464 C LYS A 92 -4.356 -23.794 -23.903 1.00 3.10 C ATOM 1465 O LYS A 92 -5.432 -23.229 -23.708 1.00 10.12 O ATOM 1466 CB LYS A 92 -5.390 -25.728 -25.104 1.00 72.03 C ATOM 1467 CG LYS A 92 -4.988 -25.603 -26.563 1.00 23.54 C ATOM 1468 CD LYS A 92 -5.315 -24.227 -27.117 1.00 61.34 C ATOM 1469 CE LYS A 92 -5.057 -24.153 -28.615 1.00 71.23 C ATOM 1470 NZ LYS A 92 -5.884 -25.137 -29.369 1.00 3.44 N ATOM 0 H LYS A 92 -5.219 -25.717 -22.293 1.00 71.44 H new ATOM 0 HA LYS A 92 -3.320 -25.547 -24.552 1.00 13.05 H new ATOM 0 HB2 LYS A 92 -5.665 -26.763 -24.899 1.00 72.03 H new ATOM 0 HB3 LYS A 92 -6.278 -25.121 -24.927 1.00 72.03 H new ATOM 0 HG2 LYS A 92 -3.919 -25.792 -26.664 1.00 23.54 H new ATOM 0 HG3 LYS A 92 -5.503 -26.364 -27.149 1.00 23.54 H new ATOM 0 HD2 LYS A 92 -6.360 -23.991 -26.915 1.00 61.34 H new ATOM 0 HD3 LYS A 92 -4.714 -23.475 -26.606 1.00 61.34 H new ATOM 0 HE2 LYS A 92 -5.275 -23.146 -28.972 1.00 71.23 H new ATOM 0 HE3 LYS A 92 -4.001 -24.339 -28.812 1.00 71.23 H new ATOM 0 HZ1 LYS A 92 -5.919 -24.865 -30.372 1.00 3.44 H new ATOM 0 HZ2 LYS A 92 -5.462 -26.084 -29.282 1.00 3.44 H new ATOM 0 HZ3 LYS A 92 -6.848 -25.150 -28.980 1.00 3.44 H new ATOM 1484 N SER A 93 -3.195 -23.147 -23.933 1.00 3.31 N ATOM 1485 CA SER A 93 -3.117 -21.705 -23.731 1.00 51.50 C ATOM 1486 C SER A 93 -2.930 -20.979 -25.059 1.00 23.14 C ATOM 1487 O SER A 93 -2.257 -21.478 -25.961 1.00 70.25 O ATOM 1488 CB SER A 93 -1.966 -21.362 -22.782 1.00 32.41 C ATOM 1489 OG SER A 93 -1.511 -20.037 -22.991 1.00 64.42 O ATOM 0 H SER A 93 -2.295 -23.599 -24.095 1.00 3.31 H new ATOM 0 HA SER A 93 -4.056 -21.375 -23.286 1.00 51.50 H new ATOM 0 HB2 SER A 93 -2.295 -21.478 -21.749 1.00 32.41 H new ATOM 0 HB3 SER A 93 -1.144 -22.061 -22.935 1.00 32.41 H new ATOM 0 HG SER A 93 -0.777 -19.842 -22.372 1.00 64.42 H new ATOM 1495 N TYR A 94 -3.530 -19.799 -25.171 1.00 63.23 N ATOM 1496 CA TYR A 94 -3.432 -19.004 -26.390 1.00 23.55 C ATOM 1497 C TYR A 94 -4.099 -17.645 -26.209 1.00 10.35 C ATOM 1498 O TYR A 94 -5.310 -17.557 -26.008 1.00 3.44 O ATOM 1499 CB TYR A 94 -4.075 -19.749 -27.562 1.00 14.44 C ATOM 1500 CG TYR A 94 -3.921 -19.038 -28.887 1.00 62.32 C ATOM 1501 CD1 TYR A 94 -2.679 -18.590 -29.318 1.00 2.30 C ATOM 1502 CD2 TYR A 94 -5.019 -18.817 -29.710 1.00 41.13 C ATOM 1503 CE1 TYR A 94 -2.533 -17.940 -30.528 1.00 54.45 C ATOM 1504 CE2 TYR A 94 -4.882 -18.169 -30.923 1.00 74.13 C ATOM 1505 CZ TYR A 94 -3.638 -17.732 -31.327 1.00 53.13 C ATOM 1506 OH TYR A 94 -3.498 -17.086 -32.535 1.00 15.42 O ATOM 0 H TYR A 94 -4.089 -19.372 -24.433 1.00 63.23 H new ATOM 0 HA TYR A 94 -2.376 -18.844 -26.605 1.00 23.55 H new ATOM 0 HB2 TYR A 94 -3.632 -20.742 -27.638 1.00 14.44 H new ATOM 0 HB3 TYR A 94 -5.136 -19.889 -27.355 1.00 14.44 H new ATOM 0 HD1 TYR A 94 -1.811 -18.753 -28.696 1.00 2.30 H new ATOM 0 HD2 TYR A 94 -5.995 -19.157 -29.397 1.00 41.13 H new ATOM 0 HE1 TYR A 94 -1.560 -17.597 -30.847 1.00 54.45 H new ATOM 0 HE2 TYR A 94 -5.745 -18.006 -31.551 1.00 74.13 H new ATOM 0 HH TYR A 94 -4.371 -17.022 -32.975 1.00 15.42 H new ATOM 1516 N ALA A 95 -3.298 -16.587 -26.282 1.00 51.40 N ATOM 1517 CA ALA A 95 -3.810 -15.230 -26.129 1.00 74.31 C ATOM 1518 C ALA A 95 -4.531 -14.770 -27.391 1.00 51.13 C ATOM 1519 O ALA A 95 -4.405 -15.385 -28.449 1.00 63.52 O ATOM 1520 CB ALA A 95 -2.677 -14.274 -25.787 1.00 64.14 C ATOM 0 H ALA A 95 -2.293 -16.643 -26.446 1.00 51.40 H new ATOM 0 HA ALA A 95 -4.530 -15.230 -25.311 1.00 74.31 H new ATOM 0 HB1 ALA A 95 -3.074 -13.265 -25.676 1.00 64.14 H new ATOM 0 HB2 ALA A 95 -2.208 -14.585 -24.853 1.00 64.14 H new ATOM 0 HB3 ALA A 95 -1.936 -14.287 -26.587 1.00 64.14 H new ATOM 1526 N ASP A 96 -5.288 -13.684 -27.272 1.00 52.14 N ATOM 1527 CA ASP A 96 -6.029 -13.141 -28.404 1.00 72.21 C ATOM 1528 C ASP A 96 -5.265 -11.992 -29.053 1.00 51.40 C ATOM 1529 O ASP A 96 -4.298 -11.481 -28.491 1.00 24.25 O ATOM 1530 CB ASP A 96 -7.411 -12.661 -27.954 1.00 22.54 C ATOM 1531 CG ASP A 96 -8.219 -13.762 -27.297 1.00 15.04 C ATOM 1532 OD1 ASP A 96 -8.583 -14.730 -27.998 1.00 15.35 O ATOM 1533 OD2 ASP A 96 -8.490 -13.656 -26.081 1.00 60.50 O ATOM 0 H ASP A 96 -5.404 -13.163 -26.403 1.00 52.14 H new ATOM 0 HA ASP A 96 -6.151 -13.935 -29.141 1.00 72.21 H new ATOM 0 HB2 ASP A 96 -7.295 -11.833 -27.255 1.00 22.54 H new ATOM 0 HB3 ASP A 96 -7.958 -12.277 -28.815 1.00 22.54 H new ATOM 1538 N ASN A 97 -5.706 -11.591 -30.241 1.00 41.23 N ATOM 1539 CA ASN A 97 -5.062 -10.501 -30.968 1.00 32.33 C ATOM 1540 C ASN A 97 -5.862 -9.210 -30.833 1.00 53.00 C ATOM 1541 O ASN A 97 -7.092 -9.220 -30.889 1.00 34.42 O ATOM 1542 CB ASN A 97 -4.909 -10.868 -32.445 1.00 24.43 C ATOM 1543 CG ASN A 97 -6.206 -11.358 -33.058 1.00 45.51 C ATOM 1544 OD1 ASN A 97 -6.666 -12.462 -32.767 1.00 14.54 O ATOM 1545 ND2 ASN A 97 -6.804 -10.536 -33.913 1.00 1.25 N ATOM 0 H ASN A 97 -6.506 -12.004 -30.721 1.00 41.23 H new ATOM 0 HA ASN A 97 -4.074 -10.341 -30.535 1.00 32.33 H new ATOM 0 HB2 ASN A 97 -4.556 -9.998 -32.998 1.00 24.43 H new ATOM 0 HB3 ASN A 97 -4.148 -11.641 -32.547 1.00 24.43 H new ATOM 0 HD21 ASN A 97 -7.680 -10.811 -34.357 1.00 1.25 H new ATOM 0 HD22 ASN A 97 -6.387 -9.630 -34.125 1.00 1.25 H new ATOM 1552 N PHE A 98 -5.156 -8.098 -30.658 1.00 13.24 N ATOM 1553 CA PHE A 98 -5.799 -6.797 -30.514 1.00 31.20 C ATOM 1554 C PHE A 98 -6.191 -6.232 -31.877 1.00 4.22 C ATOM 1555 O PHE A 98 -5.437 -6.336 -32.845 1.00 62.41 O ATOM 1556 CB PHE A 98 -4.869 -5.821 -29.792 1.00 41.13 C ATOM 1557 CG PHE A 98 -3.601 -5.534 -30.544 1.00 3.45 C ATOM 1558 CD1 PHE A 98 -3.564 -4.546 -31.514 1.00 65.13 C ATOM 1559 CD2 PHE A 98 -2.446 -6.252 -30.280 1.00 22.14 C ATOM 1560 CE1 PHE A 98 -2.399 -4.278 -32.208 1.00 33.22 C ATOM 1561 CE2 PHE A 98 -1.277 -5.989 -30.970 1.00 71.22 C ATOM 1562 CZ PHE A 98 -1.254 -5.001 -31.936 1.00 33.14 C ATOM 0 H PHE A 98 -4.137 -8.072 -30.612 1.00 13.24 H new ATOM 0 HA PHE A 98 -6.704 -6.930 -29.921 1.00 31.20 H new ATOM 0 HB2 PHE A 98 -5.400 -4.885 -29.621 1.00 41.13 H new ATOM 0 HB3 PHE A 98 -4.617 -6.228 -28.813 1.00 41.13 H new ATOM 0 HD1 PHE A 98 -4.457 -3.978 -31.731 1.00 65.13 H new ATOM 0 HD2 PHE A 98 -2.459 -7.026 -29.527 1.00 22.14 H new ATOM 0 HE1 PHE A 98 -2.384 -3.505 -32.962 1.00 33.22 H new ATOM 0 HE2 PHE A 98 -0.383 -6.555 -30.754 1.00 71.22 H new ATOM 0 HZ PHE A 98 -0.342 -4.795 -32.477 1.00 33.14 H new ATOM 1572 N THR A 99 -7.375 -5.633 -31.945 1.00 51.41 N ATOM 1573 CA THR A 99 -7.868 -5.053 -33.187 1.00 42.31 C ATOM 1574 C THR A 99 -9.161 -4.278 -32.956 1.00 44.14 C ATOM 1575 O THR A 99 -10.079 -4.764 -32.295 1.00 64.40 O ATOM 1576 CB THR A 99 -8.115 -6.135 -34.254 1.00 71.13 C ATOM 1577 OG1 THR A 99 -8.531 -5.527 -35.482 1.00 3.11 O ATOM 1578 CG2 THR A 99 -9.173 -7.124 -33.787 1.00 65.41 C ATOM 0 H THR A 99 -8.011 -5.537 -31.153 1.00 51.41 H new ATOM 0 HA THR A 99 -7.097 -4.371 -33.545 1.00 42.31 H new ATOM 0 HB THR A 99 -7.182 -6.675 -34.415 1.00 71.13 H new ATOM 0 HG1 THR A 99 -8.684 -6.222 -36.156 1.00 3.11 H new ATOM 0 HG21 THR A 99 -9.331 -7.879 -34.557 1.00 65.41 H new ATOM 0 HG22 THR A 99 -8.840 -7.607 -32.868 1.00 65.41 H new ATOM 0 HG23 THR A 99 -10.108 -6.596 -33.600 1.00 65.41 H new ATOM 1586 N LYS A 100 -9.228 -3.071 -33.507 1.00 53.32 N ATOM 1587 CA LYS A 100 -10.409 -2.228 -33.364 1.00 52.11 C ATOM 1588 C LYS A 100 -10.752 -2.016 -31.893 1.00 10.14 C ATOM 1589 O LYS A 100 -11.741 -2.538 -31.379 1.00 72.13 O ATOM 1590 CB LYS A 100 -11.600 -2.858 -34.091 1.00 14.34 C ATOM 1591 CG LYS A 100 -11.715 -2.441 -35.547 1.00 5.34 C ATOM 1592 CD LYS A 100 -10.757 -3.225 -36.427 1.00 24.33 C ATOM 1593 CE LYS A 100 -11.355 -4.557 -36.854 1.00 72.11 C ATOM 1594 NZ LYS A 100 -10.594 -5.173 -37.975 1.00 61.44 N ATOM 0 H LYS A 100 -8.477 -2.654 -34.057 1.00 53.32 H new ATOM 0 HA LYS A 100 -10.189 -1.258 -33.810 1.00 52.11 H new ATOM 0 HB2 LYS A 100 -11.514 -3.943 -34.039 1.00 14.34 H new ATOM 0 HB3 LYS A 100 -12.518 -2.586 -33.570 1.00 14.34 H new ATOM 0 HG2 LYS A 100 -12.737 -2.596 -35.892 1.00 5.34 H new ATOM 0 HG3 LYS A 100 -11.506 -1.375 -35.639 1.00 5.34 H new ATOM 0 HD2 LYS A 100 -10.509 -2.637 -37.310 1.00 24.33 H new ATOM 0 HD3 LYS A 100 -9.826 -3.399 -35.888 1.00 24.33 H new ATOM 0 HE2 LYS A 100 -11.365 -5.239 -36.004 1.00 72.11 H new ATOM 0 HE3 LYS A 100 -12.392 -4.409 -37.157 1.00 72.11 H new ATOM 0 HZ1 LYS A 100 -11.033 -6.079 -38.236 1.00 61.44 H new ATOM 0 HZ2 LYS A 100 -10.605 -4.533 -38.795 1.00 61.44 H new ATOM 0 HZ3 LYS A 100 -9.611 -5.338 -37.678 1.00 61.44 H new ATOM 1608 N PRO A 101 -9.916 -1.232 -31.197 1.00 50.35 N ATOM 1609 CA PRO A 101 -10.111 -0.931 -29.775 1.00 63.31 C ATOM 1610 C PRO A 101 -11.316 -0.028 -29.534 1.00 12.12 C ATOM 1611 O PRO A 101 -11.411 1.061 -30.100 1.00 13.41 O ATOM 1612 CB PRO A 101 -8.817 -0.212 -29.384 1.00 41.34 C ATOM 1613 CG PRO A 101 -8.313 0.379 -30.655 1.00 73.10 C ATOM 1614 CD PRO A 101 -8.716 -0.576 -31.745 1.00 35.13 C ATOM 0 HA PRO A 101 -10.308 -1.830 -29.191 1.00 63.31 H new ATOM 0 HB2 PRO A 101 -9.003 0.558 -28.636 1.00 41.34 H new ATOM 0 HB3 PRO A 101 -8.093 -0.905 -28.955 1.00 41.34 H new ATOM 0 HG2 PRO A 101 -8.742 1.367 -30.823 1.00 73.10 H new ATOM 0 HG3 PRO A 101 -7.230 0.503 -30.625 1.00 73.10 H new ATOM 0 HD2 PRO A 101 -8.934 -0.054 -32.677 1.00 35.13 H new ATOM 0 HD3 PRO A 101 -7.927 -1.297 -31.960 1.00 35.13 H new ATOM 1622 N ARG A 102 -12.234 -0.488 -28.690 1.00 54.11 N ATOM 1623 CA ARG A 102 -13.434 0.278 -28.375 1.00 32.51 C ATOM 1624 C ARG A 102 -13.072 1.674 -27.878 1.00 4.34 C ATOM 1625 O ARG A 102 -12.629 1.843 -26.741 1.00 43.44 O ATOM 1626 CB ARG A 102 -14.267 -0.451 -27.320 1.00 55.11 C ATOM 1627 CG ARG A 102 -15.748 -0.111 -27.370 1.00 62.32 C ATOM 1628 CD ARG A 102 -16.068 1.112 -26.526 1.00 14.22 C ATOM 1629 NE ARG A 102 -16.139 0.789 -25.102 1.00 41.44 N ATOM 1630 CZ ARG A 102 -17.158 0.145 -24.545 1.00 12.14 C ATOM 1631 NH1 ARG A 102 -18.186 -0.245 -25.286 1.00 63.31 N ATOM 1632 NH2 ARG A 102 -17.150 -0.111 -23.243 1.00 32.41 N ATOM 0 H ARG A 102 -12.170 -1.387 -28.212 1.00 54.11 H new ATOM 0 HA ARG A 102 -14.022 0.377 -29.287 1.00 32.51 H new ATOM 0 HB2 ARG A 102 -14.145 -1.526 -27.453 1.00 55.11 H new ATOM 0 HB3 ARG A 102 -13.880 -0.206 -26.331 1.00 55.11 H new ATOM 0 HG2 ARG A 102 -16.046 0.070 -28.403 1.00 62.32 H new ATOM 0 HG3 ARG A 102 -16.330 -0.962 -27.015 1.00 62.32 H new ATOM 0 HD2 ARG A 102 -15.306 1.874 -26.688 1.00 14.22 H new ATOM 0 HD3 ARG A 102 -17.018 1.538 -26.849 1.00 14.22 H new ATOM 0 HE ARG A 102 -15.364 1.074 -24.504 1.00 41.44 H new ATOM 0 HH11 ARG A 102 -18.196 -0.051 -26.287 1.00 63.31 H new ATOM 0 HH12 ARG A 102 -18.967 -0.739 -24.855 1.00 63.31 H new ATOM 0 HH21 ARG A 102 -16.361 0.187 -22.669 1.00 32.41 H new ATOM 0 HH22 ARG A 102 -17.933 -0.606 -22.816 1.00 32.41 H new ATOM 1646 N ASP A 103 -13.263 2.670 -28.735 1.00 62.21 N ATOM 1647 CA ASP A 103 -12.958 4.052 -28.383 1.00 3.33 C ATOM 1648 C ASP A 103 -13.911 5.015 -29.083 1.00 14.01 C ATOM 1649 O ASP A 103 -14.255 4.826 -30.250 1.00 32.54 O ATOM 1650 CB ASP A 103 -11.511 4.388 -28.753 1.00 75.51 C ATOM 1651 CG ASP A 103 -10.912 5.443 -27.845 1.00 20.22 C ATOM 1652 OD1 ASP A 103 -11.231 5.438 -26.637 1.00 42.32 O ATOM 1653 OD2 ASP A 103 -10.122 6.273 -28.342 1.00 41.24 O ATOM 0 H ASP A 103 -13.628 2.546 -29.679 1.00 62.21 H new ATOM 0 HA ASP A 103 -13.085 4.163 -27.306 1.00 3.33 H new ATOM 0 HB2 ASP A 103 -10.906 3.483 -28.702 1.00 75.51 H new ATOM 0 HB3 ASP A 103 -11.475 4.738 -29.785 1.00 75.51 H new ATOM 1658 N MET A 104 -14.336 6.048 -28.362 1.00 61.41 N ATOM 1659 CA MET A 104 -15.251 7.040 -28.915 1.00 24.51 C ATOM 1660 C MET A 104 -14.514 8.000 -29.844 1.00 50.04 C ATOM 1661 O MET A 104 -13.635 8.747 -29.412 1.00 41.22 O ATOM 1662 CB MET A 104 -15.929 7.823 -27.789 1.00 12.13 C ATOM 1663 CG MET A 104 -16.906 6.991 -26.974 1.00 32.33 C ATOM 1664 SD MET A 104 -17.971 7.999 -25.926 1.00 12.01 S ATOM 1665 CE MET A 104 -16.758 8.786 -24.868 1.00 74.41 C ATOM 0 H MET A 104 -14.062 6.220 -27.395 1.00 61.41 H new ATOM 0 HA MET A 104 -16.012 6.515 -29.492 1.00 24.51 H new ATOM 0 HB2 MET A 104 -15.164 8.224 -27.125 1.00 12.13 H new ATOM 0 HB3 MET A 104 -16.458 8.674 -28.217 1.00 12.13 H new ATOM 0 HG2 MET A 104 -17.523 6.398 -27.649 1.00 32.33 H new ATOM 0 HG3 MET A 104 -16.349 6.290 -26.352 1.00 32.33 H new ATOM 0 HE1 MET A 104 -17.267 9.316 -24.063 1.00 74.41 H new ATOM 0 HE2 MET A 104 -16.099 8.028 -24.444 1.00 74.41 H new ATOM 0 HE3 MET A 104 -16.169 9.493 -25.453 1.00 74.41 H new TER 1675 MET A 104