USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 587 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 25 HIS : no HD1:sc= -0.491 K(o=0.51,f=-8.3!) USER MOD Set 1.2: A 48 GLN : amide:sc= 1 K(o=0.51,f=-4.7!) USER MOD Single : A 1 LYS N :NH3+ -169:sc=-0.00457 (180deg=-0.159) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 42:sc= 0.194 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.38) USER MOD Single : A 22 ASN : amide:sc= -2.97! C(o=-3!,f=-12!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc=-0.000557 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN :FLIP amide:sc= -7.36! C(o=-9.5!,f=-7.4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.97 F(o=-3.5!,f=-2) USER MOD Single : A 46 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= -1.57! (180deg=-3.31!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.17) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.0413 (180deg=-0.326) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 7.409 -25.875 3.161 1.00 34.02 N ATOM 2 CA LYS A 1 8.734 -25.955 2.553 1.00 13.44 C ATOM 3 C LYS A 1 9.777 -25.461 3.530 1.00 41.11 C ATOM 4 O LYS A 1 9.633 -24.359 4.078 1.00 21.43 O ATOM 5 CB LYS A 1 8.793 -25.113 1.270 1.00 41.24 C ATOM 6 CG LYS A 1 7.877 -25.578 0.188 1.00 21.45 C ATOM 7 CD LYS A 1 7.978 -24.680 -1.017 1.00 74.02 C ATOM 8 CE LYS A 1 7.130 -25.214 -2.123 1.00 43.13 C ATOM 9 NZ LYS A 1 7.147 -24.337 -3.311 1.00 64.10 N ATOM 0 H1 LYS A 1 6.723 -26.383 2.567 1.00 34.02 H new ATOM 0 H2 LYS A 1 7.434 -26.307 4.107 1.00 34.02 H new ATOM 0 H3 LYS A 1 7.124 -24.878 3.243 1.00 34.02 H new ATOM 0 HA LYS A 1 8.935 -26.996 2.299 1.00 13.44 H new ATOM 0 HB2 LYS A 1 8.550 -24.079 1.516 1.00 41.24 H new ATOM 0 HB3 LYS A 1 9.815 -25.119 0.892 1.00 41.24 H new ATOM 0 HG2 LYS A 1 8.127 -26.601 -0.093 1.00 21.45 H new ATOM 0 HG3 LYS A 1 6.850 -25.590 0.554 1.00 21.45 H new ATOM 0 HD2 LYS A 1 7.658 -23.671 -0.757 1.00 74.02 H new ATOM 0 HD3 LYS A 1 9.016 -24.611 -1.344 1.00 74.02 H new ATOM 0 HE2 LYS A 1 7.482 -26.207 -2.402 1.00 43.13 H new ATOM 0 HE3 LYS A 1 6.105 -25.326 -1.771 1.00 43.13 H new ATOM 0 HZ1 LYS A 1 6.545 -24.747 -4.054 1.00 64.10 H new ATOM 0 HZ2 LYS A 1 6.787 -23.396 -3.053 1.00 64.10 H new ATOM 0 HZ3 LYS A 1 8.121 -24.250 -3.664 1.00 64.10 H new ATOM 23 N PRO A 2 10.839 -26.252 3.792 1.00 22.51 N ATOM 24 CA PRO A 2 11.896 -25.843 4.687 1.00 34.14 C ATOM 25 C PRO A 2 12.817 -24.826 4.032 1.00 71.43 C ATOM 26 O PRO A 2 13.746 -25.178 3.293 1.00 10.34 O ATOM 27 CB PRO A 2 12.659 -27.133 5.017 1.00 25.33 C ATOM 28 CG PRO A 2 11.901 -28.231 4.342 1.00 45.43 C ATOM 29 CD PRO A 2 11.083 -27.592 3.262 1.00 51.21 C ATOM 0 HA PRO A 2 11.500 -25.357 5.579 1.00 34.14 H new ATOM 0 HB2 PRO A 2 13.686 -27.085 4.654 1.00 25.33 H new ATOM 0 HB3 PRO A 2 12.708 -27.295 6.094 1.00 25.33 H new ATOM 0 HG2 PRO A 2 12.583 -28.971 3.924 1.00 45.43 H new ATOM 0 HG3 PRO A 2 11.261 -28.753 5.054 1.00 45.43 H new ATOM 0 HD2 PRO A 2 11.619 -27.561 2.313 1.00 51.21 H new ATOM 0 HD3 PRO A 2 10.153 -28.133 3.085 1.00 51.21 H new ATOM 37 N VAL A 3 12.511 -23.586 4.248 1.00 14.32 N ATOM 38 CA VAL A 3 13.266 -22.474 3.723 1.00 12.13 C ATOM 39 C VAL A 3 13.359 -21.424 4.798 1.00 31.44 C ATOM 40 O VAL A 3 12.798 -21.605 5.892 1.00 63.15 O ATOM 41 CB VAL A 3 12.587 -21.841 2.450 1.00 13.41 C ATOM 42 CG1 VAL A 3 12.534 -22.823 1.291 1.00 5.33 C ATOM 43 CG2 VAL A 3 11.181 -21.328 2.770 1.00 11.11 C ATOM 0 H VAL A 3 11.708 -23.303 4.809 1.00 14.32 H new ATOM 0 HA VAL A 3 14.250 -22.836 3.425 1.00 12.13 H new ATOM 0 HB VAL A 3 13.206 -20.996 2.148 1.00 13.41 H new ATOM 0 HG11 VAL A 3 12.059 -22.348 0.433 1.00 5.33 H new ATOM 0 HG12 VAL A 3 13.547 -23.125 1.024 1.00 5.33 H new ATOM 0 HG13 VAL A 3 11.959 -23.701 1.584 1.00 5.33 H new ATOM 0 HG21 VAL A 3 10.738 -20.897 1.872 1.00 11.11 H new ATOM 0 HG22 VAL A 3 10.563 -22.155 3.119 1.00 11.11 H new ATOM 0 HG23 VAL A 3 11.240 -20.566 3.547 1.00 11.11 H new ATOM 53 N SER A 4 14.053 -20.362 4.525 1.00 34.13 N ATOM 54 CA SER A 4 14.106 -19.269 5.441 1.00 34.43 C ATOM 55 C SER A 4 13.062 -18.243 5.030 1.00 12.11 C ATOM 56 O SER A 4 12.826 -18.049 3.828 1.00 63.51 O ATOM 57 CB SER A 4 15.523 -18.652 5.474 1.00 14.45 C ATOM 58 OG SER A 4 15.959 -18.227 4.179 1.00 75.22 O ATOM 0 H SER A 4 14.593 -20.230 3.670 1.00 34.13 H new ATOM 0 HA SER A 4 13.888 -19.618 6.450 1.00 34.43 H new ATOM 0 HB2 SER A 4 15.531 -17.801 6.155 1.00 14.45 H new ATOM 0 HB3 SER A 4 16.227 -19.384 5.870 1.00 14.45 H new ATOM 0 HG SER A 4 16.858 -17.842 4.246 1.00 75.22 H new ATOM 64 N LEU A 5 12.413 -17.624 5.987 1.00 23.04 N ATOM 65 CA LEU A 5 11.447 -16.601 5.671 1.00 75.40 C ATOM 66 C LEU A 5 12.194 -15.324 5.401 1.00 51.20 C ATOM 67 O LEU A 5 12.523 -14.572 6.323 1.00 33.42 O ATOM 68 CB LEU A 5 10.382 -16.400 6.785 1.00 52.01 C ATOM 69 CG LEU A 5 9.366 -17.545 7.037 1.00 32.10 C ATOM 70 CD1 LEU A 5 10.034 -18.818 7.544 1.00 25.21 C ATOM 71 CD2 LEU A 5 8.289 -17.088 8.009 1.00 13.01 C ATOM 0 H LEU A 5 12.535 -17.809 6.983 1.00 23.04 H new ATOM 0 HA LEU A 5 10.886 -16.914 4.790 1.00 75.40 H new ATOM 0 HB2 LEU A 5 10.909 -16.209 7.720 1.00 52.01 H new ATOM 0 HB3 LEU A 5 9.817 -15.499 6.548 1.00 52.01 H new ATOM 0 HG LEU A 5 8.909 -17.786 6.077 1.00 32.10 H new ATOM 0 HD11 LEU A 5 9.278 -19.587 7.704 1.00 25.21 H new ATOM 0 HD12 LEU A 5 10.757 -19.168 6.807 1.00 25.21 H new ATOM 0 HD13 LEU A 5 10.545 -18.611 8.484 1.00 25.21 H new ATOM 0 HD21 LEU A 5 7.582 -17.901 8.177 1.00 13.01 H new ATOM 0 HD22 LEU A 5 8.749 -16.805 8.956 1.00 13.01 H new ATOM 0 HD23 LEU A 5 7.762 -16.230 7.591 1.00 13.01 H new ATOM 83 N SER A 6 12.512 -15.107 4.155 1.00 12.30 N ATOM 84 CA SER A 6 13.324 -14.007 3.779 1.00 71.24 C ATOM 85 C SER A 6 12.503 -12.805 3.352 1.00 54.42 C ATOM 86 O SER A 6 12.062 -12.694 2.197 1.00 11.12 O ATOM 87 CB SER A 6 14.355 -14.425 2.711 1.00 11.41 C ATOM 88 OG SER A 6 13.727 -15.000 1.567 1.00 71.13 O ATOM 0 H SER A 6 12.210 -15.695 3.378 1.00 12.30 H new ATOM 0 HA SER A 6 13.879 -13.690 4.662 1.00 71.24 H new ATOM 0 HB2 SER A 6 14.937 -13.555 2.407 1.00 11.41 H new ATOM 0 HB3 SER A 6 15.054 -15.142 3.141 1.00 11.41 H new ATOM 0 HG SER A 6 12.928 -14.481 1.337 1.00 71.13 H new ATOM 94 N TYR A 7 12.251 -11.945 4.289 1.00 72.50 N ATOM 95 CA TYR A 7 11.573 -10.718 4.029 1.00 25.54 C ATOM 96 C TYR A 7 12.517 -9.585 4.304 1.00 12.35 C ATOM 97 O TYR A 7 12.714 -9.188 5.458 1.00 35.02 O ATOM 98 CB TYR A 7 10.309 -10.551 4.878 1.00 1.25 C ATOM 99 CG TYR A 7 9.220 -11.562 4.624 1.00 53.52 C ATOM 100 CD1 TYR A 7 8.266 -11.339 3.640 1.00 44.22 C ATOM 101 CD2 TYR A 7 9.130 -12.727 5.374 1.00 72.51 C ATOM 102 CE1 TYR A 7 7.253 -12.243 3.416 1.00 65.35 C ATOM 103 CE2 TYR A 7 8.119 -13.637 5.148 1.00 71.32 C ATOM 104 CZ TYR A 7 7.185 -13.387 4.167 1.00 24.01 C ATOM 105 OH TYR A 7 6.166 -14.284 3.947 1.00 15.30 O ATOM 0 H TYR A 7 12.514 -12.078 5.265 1.00 72.50 H new ATOM 0 HA TYR A 7 11.256 -10.722 2.986 1.00 25.54 H new ATOM 0 HB2 TYR A 7 10.589 -10.601 5.930 1.00 1.25 H new ATOM 0 HB3 TYR A 7 9.904 -9.554 4.703 1.00 1.25 H new ATOM 0 HD1 TYR A 7 8.320 -10.442 3.041 1.00 44.22 H new ATOM 0 HD2 TYR A 7 9.861 -12.923 6.144 1.00 72.51 H new ATOM 0 HE1 TYR A 7 6.515 -12.052 2.651 1.00 65.35 H new ATOM 0 HE2 TYR A 7 8.060 -14.540 5.737 1.00 71.32 H new ATOM 0 HH TYR A 7 6.260 -15.043 4.560 1.00 15.30 H new ATOM 115 N ARG A 8 13.155 -9.108 3.278 1.00 40.24 N ATOM 116 CA ARG A 8 14.055 -7.994 3.416 1.00 74.15 C ATOM 117 C ARG A 8 13.296 -6.733 3.059 1.00 23.23 C ATOM 118 O ARG A 8 13.748 -5.615 3.305 1.00 71.44 O ATOM 119 CB ARG A 8 15.277 -8.145 2.504 1.00 43.15 C ATOM 120 CG ARG A 8 14.959 -8.005 1.028 1.00 71.12 C ATOM 121 CD ARG A 8 16.190 -8.112 0.173 1.00 22.55 C ATOM 122 NE ARG A 8 15.889 -7.809 -1.228 1.00 30.21 N ATOM 123 CZ ARG A 8 16.688 -8.084 -2.267 1.00 73.55 C ATOM 124 NH1 ARG A 8 17.815 -8.773 -2.088 1.00 64.42 N ATOM 125 NH2 ARG A 8 16.348 -7.681 -3.486 1.00 1.44 N ATOM 0 H ARG A 8 13.071 -9.473 2.329 1.00 40.24 H new ATOM 0 HA ARG A 8 14.420 -7.949 4.442 1.00 74.15 H new ATOM 0 HB2 ARG A 8 16.019 -7.395 2.779 1.00 43.15 H new ATOM 0 HB3 ARG A 8 15.730 -9.121 2.678 1.00 43.15 H new ATOM 0 HG2 ARG A 8 14.247 -8.777 0.736 1.00 71.12 H new ATOM 0 HG3 ARG A 8 14.477 -7.043 0.851 1.00 71.12 H new ATOM 0 HD2 ARG A 8 16.952 -7.425 0.541 1.00 22.55 H new ATOM 0 HD3 ARG A 8 16.603 -9.118 0.250 1.00 22.55 H new ATOM 0 HE ARG A 8 14.999 -7.352 -1.428 1.00 30.21 H new ATOM 0 HH11 ARG A 8 18.074 -9.094 -1.155 1.00 64.42 H new ATOM 0 HH12 ARG A 8 18.419 -8.979 -2.884 1.00 64.42 H new ATOM 0 HH21 ARG A 8 15.481 -7.164 -3.629 1.00 1.44 H new ATOM 0 HH22 ARG A 8 16.954 -7.889 -4.279 1.00 1.44 H new ATOM 139 N CYS A 9 12.151 -6.938 2.477 1.00 63.21 N ATOM 140 CA CYS A 9 11.288 -5.868 2.068 1.00 21.15 C ATOM 141 C CYS A 9 9.999 -5.942 2.895 1.00 73.34 C ATOM 142 O CYS A 9 9.523 -7.045 3.206 1.00 73.12 O ATOM 143 CB CYS A 9 10.962 -5.997 0.570 1.00 31.40 C ATOM 144 SG CYS A 9 12.428 -6.186 -0.516 1.00 45.45 S ATOM 0 H CYS A 9 11.785 -7.867 2.270 1.00 63.21 H new ATOM 0 HA CYS A 9 11.780 -4.909 2.231 1.00 21.15 H new ATOM 0 HB2 CYS A 9 10.307 -6.856 0.427 1.00 31.40 H new ATOM 0 HB3 CYS A 9 10.404 -5.115 0.256 1.00 31.40 H new ATOM 149 N PRO A 10 9.452 -4.779 3.309 1.00 25.45 N ATOM 150 CA PRO A 10 8.187 -4.692 4.086 1.00 34.53 C ATOM 151 C PRO A 10 6.982 -5.362 3.388 1.00 64.44 C ATOM 152 O PRO A 10 6.034 -5.819 4.046 1.00 1.33 O ATOM 153 CB PRO A 10 7.963 -3.181 4.203 1.00 43.02 C ATOM 154 CG PRO A 10 9.328 -2.609 4.109 1.00 4.11 C ATOM 155 CD PRO A 10 10.045 -3.446 3.109 1.00 70.33 C ATOM 0 HA PRO A 10 8.267 -5.216 5.038 1.00 34.53 H new ATOM 0 HB2 PRO A 10 7.319 -2.810 3.406 1.00 43.02 H new ATOM 0 HB3 PRO A 10 7.485 -2.920 5.147 1.00 43.02 H new ATOM 0 HG2 PRO A 10 9.295 -1.566 3.795 1.00 4.11 H new ATOM 0 HG3 PRO A 10 9.831 -2.635 5.075 1.00 4.11 H new ATOM 0 HD2 PRO A 10 9.890 -3.083 2.093 1.00 70.33 H new ATOM 0 HD3 PRO A 10 11.121 -3.452 3.284 1.00 70.33 H new ATOM 163 N CYS A 11 7.012 -5.411 2.078 1.00 43.02 N ATOM 164 CA CYS A 11 5.944 -6.046 1.326 1.00 23.11 C ATOM 165 C CYS A 11 6.466 -7.205 0.519 1.00 52.14 C ATOM 166 O CYS A 11 7.618 -7.195 0.067 1.00 2.41 O ATOM 167 CB CYS A 11 5.250 -5.042 0.413 1.00 72.21 C ATOM 168 SG CYS A 11 4.407 -3.702 1.296 1.00 60.11 S ATOM 0 H CYS A 11 7.761 -5.021 1.506 1.00 43.02 H new ATOM 0 HA CYS A 11 5.216 -6.425 2.043 1.00 23.11 H new ATOM 0 HB2 CYS A 11 5.988 -4.610 -0.263 1.00 72.21 H new ATOM 0 HB3 CYS A 11 4.523 -5.570 -0.205 1.00 72.21 H new ATOM 173 N ARG A 12 5.640 -8.211 0.346 1.00 25.21 N ATOM 174 CA ARG A 12 6.013 -9.350 -0.447 1.00 71.15 C ATOM 175 C ARG A 12 5.315 -9.249 -1.797 1.00 13.13 C ATOM 176 O ARG A 12 5.869 -9.607 -2.832 1.00 33.04 O ATOM 177 CB ARG A 12 5.623 -10.650 0.268 1.00 12.53 C ATOM 178 CG ARG A 12 6.200 -11.915 -0.363 1.00 53.34 C ATOM 179 CD ARG A 12 7.719 -11.869 -0.339 1.00 64.11 C ATOM 180 NE ARG A 12 8.347 -13.082 -0.852 1.00 31.13 N ATOM 181 CZ ARG A 12 9.675 -13.236 -0.993 1.00 54.33 C ATOM 182 NH1 ARG A 12 10.503 -12.233 -0.687 1.00 63.14 N ATOM 183 NH2 ARG A 12 10.172 -14.379 -1.445 1.00 1.21 N ATOM 0 H ARG A 12 4.703 -8.260 0.747 1.00 25.21 H new ATOM 0 HA ARG A 12 7.093 -9.363 -0.593 1.00 71.15 H new ATOM 0 HB2 ARG A 12 5.953 -10.593 1.305 1.00 12.53 H new ATOM 0 HB3 ARG A 12 4.536 -10.730 0.284 1.00 12.53 H new ATOM 0 HG2 ARG A 12 5.847 -12.793 0.178 1.00 53.34 H new ATOM 0 HG3 ARG A 12 5.848 -12.011 -1.390 1.00 53.34 H new ATOM 0 HD2 ARG A 12 8.058 -11.017 -0.928 1.00 64.11 H new ATOM 0 HD3 ARG A 12 8.053 -11.702 0.685 1.00 64.11 H new ATOM 0 HE ARG A 12 7.743 -13.859 -1.119 1.00 31.13 H new ATOM 0 HH11 ARG A 12 10.128 -11.348 -0.346 1.00 63.14 H new ATOM 0 HH12 ARG A 12 11.510 -12.352 -0.795 1.00 63.14 H new ATOM 0 HH21 ARG A 12 9.546 -15.147 -1.688 1.00 1.21 H new ATOM 0 HH22 ARG A 12 11.180 -14.491 -1.550 1.00 1.21 H new ATOM 197 N PHE A 13 4.105 -8.736 -1.766 1.00 75.45 N ATOM 198 CA PHE A 13 3.300 -8.553 -2.947 1.00 51.25 C ATOM 199 C PHE A 13 2.670 -7.170 -2.904 1.00 75.22 C ATOM 200 O PHE A 13 2.708 -6.500 -1.871 1.00 25.42 O ATOM 201 CB PHE A 13 2.175 -9.605 -3.012 1.00 54.14 C ATOM 202 CG PHE A 13 2.643 -11.035 -2.967 1.00 63.11 C ATOM 203 CD1 PHE A 13 3.186 -11.640 -4.085 1.00 40.14 C ATOM 204 CD2 PHE A 13 2.528 -11.774 -1.799 1.00 12.44 C ATOM 205 CE1 PHE A 13 3.609 -12.952 -4.038 1.00 2.13 C ATOM 206 CE2 PHE A 13 2.950 -13.086 -1.745 1.00 31.53 C ATOM 207 CZ PHE A 13 3.490 -13.677 -2.867 1.00 61.25 C ATOM 0 H PHE A 13 3.649 -8.431 -0.906 1.00 75.45 H new ATOM 0 HA PHE A 13 3.938 -8.662 -3.824 1.00 51.25 H new ATOM 0 HB2 PHE A 13 1.490 -9.436 -2.181 1.00 54.14 H new ATOM 0 HB3 PHE A 13 1.607 -9.452 -3.930 1.00 54.14 H new ATOM 0 HD1 PHE A 13 3.280 -11.080 -5.004 1.00 40.14 H new ATOM 0 HD2 PHE A 13 2.102 -11.315 -0.919 1.00 12.44 H new ATOM 0 HE1 PHE A 13 4.034 -13.414 -4.917 1.00 2.13 H new ATOM 0 HE2 PHE A 13 2.858 -13.648 -0.827 1.00 31.53 H new ATOM 0 HZ PHE A 13 3.820 -14.705 -2.831 1.00 61.25 H new ATOM 217 N PHE A 14 2.125 -6.750 -4.006 1.00 40.53 N ATOM 218 CA PHE A 14 1.407 -5.496 -4.114 1.00 1.42 C ATOM 219 C PHE A 14 0.137 -5.781 -4.867 1.00 73.03 C ATOM 220 O PHE A 14 0.108 -6.697 -5.703 1.00 53.33 O ATOM 221 CB PHE A 14 2.200 -4.478 -4.928 1.00 64.15 C ATOM 222 CG PHE A 14 3.574 -4.142 -4.442 1.00 22.12 C ATOM 223 CD1 PHE A 14 3.754 -3.397 -3.305 1.00 64.30 C ATOM 224 CD2 PHE A 14 4.685 -4.566 -5.141 1.00 11.31 C ATOM 225 CE1 PHE A 14 5.011 -3.077 -2.864 1.00 22.10 C ATOM 226 CE2 PHE A 14 5.950 -4.250 -4.712 1.00 1.23 C ATOM 227 CZ PHE A 14 6.117 -3.504 -3.566 1.00 34.24 C ATOM 0 H PHE A 14 2.163 -7.275 -4.880 1.00 40.53 H new ATOM 0 HA PHE A 14 1.230 -5.093 -3.117 1.00 1.42 H new ATOM 0 HB2 PHE A 14 2.284 -4.852 -5.949 1.00 64.15 H new ATOM 0 HB3 PHE A 14 1.621 -3.555 -4.973 1.00 64.15 H new ATOM 0 HD1 PHE A 14 2.892 -3.058 -2.749 1.00 64.30 H new ATOM 0 HD2 PHE A 14 4.558 -5.154 -6.038 1.00 11.31 H new ATOM 0 HE1 PHE A 14 5.135 -2.490 -1.966 1.00 22.10 H new ATOM 0 HE2 PHE A 14 6.811 -4.585 -5.271 1.00 1.23 H new ATOM 0 HZ PHE A 14 7.109 -3.255 -3.220 1.00 34.24 H new ATOM 237 N GLU A 15 -0.901 -5.052 -4.592 1.00 54.34 N ATOM 238 CA GLU A 15 -2.120 -5.230 -5.319 1.00 3.22 C ATOM 239 C GLU A 15 -2.263 -4.248 -6.455 1.00 3.14 C ATOM 240 O GLU A 15 -1.897 -3.070 -6.345 1.00 74.21 O ATOM 241 CB GLU A 15 -3.368 -5.215 -4.438 1.00 33.54 C ATOM 242 CG GLU A 15 -3.488 -6.386 -3.512 1.00 62.10 C ATOM 243 CD GLU A 15 -4.844 -6.464 -2.856 1.00 73.43 C ATOM 244 OE1 GLU A 15 -5.762 -7.055 -3.457 1.00 10.32 O ATOM 245 OE2 GLU A 15 -5.018 -5.956 -1.737 1.00 2.41 O ATOM 0 H GLU A 15 -0.929 -4.330 -3.872 1.00 54.34 H new ATOM 0 HA GLU A 15 -2.044 -6.232 -5.742 1.00 3.22 H new ATOM 0 HB2 GLU A 15 -3.369 -4.299 -3.847 1.00 33.54 H new ATOM 0 HB3 GLU A 15 -4.249 -5.183 -5.079 1.00 33.54 H new ATOM 0 HG2 GLU A 15 -3.303 -7.305 -4.067 1.00 62.10 H new ATOM 0 HG3 GLU A 15 -2.719 -6.318 -2.743 1.00 62.10 H new ATOM 252 N SER A 16 -2.783 -4.746 -7.544 1.00 31.44 N ATOM 253 CA SER A 16 -3.079 -3.953 -8.706 1.00 62.51 C ATOM 254 C SER A 16 -4.590 -3.940 -8.920 1.00 12.41 C ATOM 255 O SER A 16 -5.091 -3.511 -9.947 1.00 11.22 O ATOM 256 CB SER A 16 -2.356 -4.524 -9.922 1.00 10.31 C ATOM 257 OG SER A 16 -0.949 -4.499 -9.717 1.00 55.55 O ATOM 0 H SER A 16 -3.017 -5.733 -7.650 1.00 31.44 H new ATOM 0 HA SER A 16 -2.733 -2.929 -8.562 1.00 62.51 H new ATOM 0 HB2 SER A 16 -2.686 -5.547 -10.102 1.00 10.31 H new ATOM 0 HB3 SER A 16 -2.611 -3.946 -10.810 1.00 10.31 H new ATOM 0 HG SER A 16 -0.497 -4.870 -10.504 1.00 55.55 H new ATOM 263 N HIS A 17 -5.299 -4.407 -7.912 1.00 43.13 N ATOM 264 CA HIS A 17 -6.751 -4.462 -7.915 1.00 3.13 C ATOM 265 C HIS A 17 -7.287 -3.415 -6.918 1.00 11.13 C ATOM 266 O HIS A 17 -8.476 -3.382 -6.573 1.00 40.25 O ATOM 267 CB HIS A 17 -7.175 -5.890 -7.504 1.00 62.41 C ATOM 268 CG HIS A 17 -8.640 -6.150 -7.568 1.00 2.13 C ATOM 269 ND1 HIS A 17 -9.437 -6.158 -6.462 1.00 31.54 N ATOM 270 CD2 HIS A 17 -9.447 -6.404 -8.614 1.00 62.12 C ATOM 271 CE1 HIS A 17 -10.668 -6.398 -6.817 1.00 3.41 C ATOM 272 NE2 HIS A 17 -10.705 -6.553 -8.117 1.00 24.44 N ATOM 0 H HIS A 17 -4.879 -4.765 -7.054 1.00 43.13 H new ATOM 0 HA HIS A 17 -7.158 -4.239 -8.901 1.00 3.13 H new ATOM 0 HB2 HIS A 17 -6.665 -6.605 -8.149 1.00 62.41 H new ATOM 0 HB3 HIS A 17 -6.831 -6.077 -6.487 1.00 62.41 H new ATOM 0 HD2 HIS A 17 -9.153 -6.476 -9.651 1.00 62.12 H new ATOM 0 HE1 HIS A 17 -11.516 -6.459 -6.151 1.00 3.41 H new ATOM 0 HE2 HIS A 17 -11.540 -6.753 -8.667 1.00 24.44 H new ATOM 281 N VAL A 18 -6.407 -2.532 -6.502 1.00 22.31 N ATOM 282 CA VAL A 18 -6.734 -1.557 -5.479 1.00 32.20 C ATOM 283 C VAL A 18 -7.520 -0.386 -6.071 1.00 31.43 C ATOM 284 O VAL A 18 -7.275 0.019 -7.206 1.00 62.30 O ATOM 285 CB VAL A 18 -5.466 -1.021 -4.784 1.00 55.42 C ATOM 286 CG1 VAL A 18 -5.830 -0.215 -3.549 1.00 20.40 C ATOM 287 CG2 VAL A 18 -4.529 -2.150 -4.423 1.00 51.33 C ATOM 0 H VAL A 18 -5.453 -2.467 -6.857 1.00 22.31 H new ATOM 0 HA VAL A 18 -7.350 -2.066 -4.738 1.00 32.20 H new ATOM 0 HB VAL A 18 -4.951 -0.364 -5.485 1.00 55.42 H new ATOM 0 HG11 VAL A 18 -4.921 0.154 -3.074 1.00 20.40 H new ATOM 0 HG12 VAL A 18 -6.457 0.629 -3.837 1.00 20.40 H new ATOM 0 HG13 VAL A 18 -6.374 -0.848 -2.848 1.00 20.40 H new ATOM 0 HG21 VAL A 18 -3.643 -1.745 -3.934 1.00 51.33 H new ATOM 0 HG22 VAL A 18 -5.034 -2.839 -3.746 1.00 51.33 H new ATOM 0 HG23 VAL A 18 -4.234 -2.681 -5.328 1.00 51.33 H new ATOM 297 N ALA A 19 -8.449 0.126 -5.300 1.00 1.20 N ATOM 298 CA ALA A 19 -9.301 1.223 -5.677 1.00 74.45 C ATOM 299 C ALA A 19 -8.986 2.437 -4.802 1.00 34.23 C ATOM 300 O ALA A 19 -8.819 2.296 -3.599 1.00 20.13 O ATOM 301 CB ALA A 19 -10.748 0.803 -5.440 1.00 74.31 C ATOM 0 H ALA A 19 -8.637 -0.224 -4.360 1.00 1.20 H new ATOM 0 HA ALA A 19 -9.142 1.481 -6.724 1.00 74.45 H new ATOM 0 HB1 ALA A 19 -11.414 1.619 -5.719 1.00 74.31 H new ATOM 0 HB2 ALA A 19 -10.976 -0.074 -6.045 1.00 74.31 H new ATOM 0 HB3 ALA A 19 -10.889 0.563 -4.386 1.00 74.31 H new ATOM 307 N ARG A 20 -8.921 3.620 -5.404 1.00 31.24 N ATOM 308 CA ARG A 20 -8.699 4.887 -4.667 1.00 60.23 C ATOM 309 C ARG A 20 -9.758 5.050 -3.567 1.00 53.31 C ATOM 310 O ARG A 20 -9.462 5.472 -2.450 1.00 4.14 O ATOM 311 CB ARG A 20 -8.801 6.090 -5.643 1.00 24.20 C ATOM 312 CG ARG A 20 -8.646 7.478 -4.993 1.00 53.13 C ATOM 313 CD ARG A 20 -7.234 7.724 -4.496 1.00 11.20 C ATOM 314 NE ARG A 20 -7.101 8.989 -3.758 1.00 23.22 N ATOM 315 CZ ARG A 20 -6.216 9.968 -4.036 1.00 33.42 C ATOM 316 NH1 ARG A 20 -5.553 9.983 -5.198 1.00 0.12 N ATOM 317 NH2 ARG A 20 -6.048 10.965 -3.176 1.00 21.01 N ATOM 0 H ARG A 20 -9.019 3.742 -6.412 1.00 31.24 H new ATOM 0 HA ARG A 20 -7.706 4.858 -4.218 1.00 60.23 H new ATOM 0 HB2 ARG A 20 -8.036 5.979 -6.412 1.00 24.20 H new ATOM 0 HB3 ARG A 20 -9.767 6.048 -6.146 1.00 24.20 H new ATOM 0 HG2 ARG A 20 -8.914 8.248 -5.716 1.00 53.13 H new ATOM 0 HG3 ARG A 20 -9.343 7.567 -4.160 1.00 53.13 H new ATOM 0 HD2 ARG A 20 -6.932 6.899 -3.851 1.00 11.20 H new ATOM 0 HD3 ARG A 20 -6.551 7.731 -5.345 1.00 11.20 H new ATOM 0 HE ARG A 20 -7.731 9.139 -2.970 1.00 23.22 H new ATOM 0 HH11 ARG A 20 -5.714 9.248 -5.887 1.00 0.12 H new ATOM 0 HH12 ARG A 20 -4.886 10.729 -5.395 1.00 0.12 H new ATOM 0 HH21 ARG A 20 -6.587 10.988 -2.310 1.00 21.01 H new ATOM 0 HH22 ARG A 20 -5.380 11.708 -3.381 1.00 21.01 H new ATOM 331 N ALA A 21 -10.974 4.682 -3.898 1.00 45.32 N ATOM 332 CA ALA A 21 -12.103 4.822 -3.006 1.00 11.51 C ATOM 333 C ALA A 21 -12.171 3.709 -1.961 1.00 61.10 C ATOM 334 O ALA A 21 -12.988 3.768 -1.048 1.00 41.02 O ATOM 335 CB ALA A 21 -13.398 4.891 -3.800 1.00 42.24 C ATOM 0 H ALA A 21 -11.210 4.273 -4.802 1.00 45.32 H new ATOM 0 HA ALA A 21 -11.965 5.756 -2.461 1.00 11.51 H new ATOM 0 HB1 ALA A 21 -14.239 4.996 -3.115 1.00 42.24 H new ATOM 0 HB2 ALA A 21 -13.367 5.749 -4.472 1.00 42.24 H new ATOM 0 HB3 ALA A 21 -13.517 3.978 -4.383 1.00 42.24 H new ATOM 341 N ASN A 22 -11.332 2.694 -2.075 1.00 25.35 N ATOM 342 CA ASN A 22 -11.404 1.609 -1.108 1.00 3.51 C ATOM 343 C ASN A 22 -10.236 1.700 -0.128 1.00 63.14 C ATOM 344 O ASN A 22 -10.107 0.892 0.780 1.00 53.44 O ATOM 345 CB ASN A 22 -11.515 0.206 -1.795 1.00 42.01 C ATOM 346 CG ASN A 22 -10.213 -0.568 -1.983 1.00 53.12 C ATOM 347 OD1 ASN A 22 -9.515 -0.443 -2.951 1.00 23.24 O ATOM 348 ND2 ASN A 22 -9.952 -1.416 -1.084 1.00 53.23 N ATOM 0 H ASN A 22 -10.618 2.596 -2.797 1.00 25.35 H new ATOM 0 HA ASN A 22 -12.325 1.721 -0.536 1.00 3.51 H new ATOM 0 HB2 ASN A 22 -12.195 -0.409 -1.205 1.00 42.01 H new ATOM 0 HB3 ASN A 22 -11.975 0.341 -2.774 1.00 42.01 H new ATOM 0 HD21 ASN A 22 -9.131 -2.015 -1.171 1.00 53.23 H new ATOM 0 HD22 ASN A 22 -10.562 -1.502 -0.271 1.00 53.23 H new ATOM 355 N VAL A 23 -9.416 2.727 -0.307 1.00 13.23 N ATOM 356 CA VAL A 23 -8.264 2.985 0.550 1.00 30.21 C ATOM 357 C VAL A 23 -8.584 4.114 1.530 1.00 21.04 C ATOM 358 O VAL A 23 -9.154 5.135 1.141 1.00 43.30 O ATOM 359 CB VAL A 23 -7.037 3.411 -0.288 1.00 33.23 C ATOM 360 CG1 VAL A 23 -5.852 3.712 0.602 1.00 13.23 C ATOM 361 CG2 VAL A 23 -6.678 2.350 -1.301 1.00 33.42 C ATOM 0 H VAL A 23 -9.531 3.410 -1.056 1.00 13.23 H new ATOM 0 HA VAL A 23 -8.038 2.064 1.088 1.00 30.21 H new ATOM 0 HB VAL A 23 -7.303 4.321 -0.825 1.00 33.23 H new ATOM 0 HG11 VAL A 23 -5.002 4.009 -0.012 1.00 13.23 H new ATOM 0 HG12 VAL A 23 -6.107 4.522 1.286 1.00 13.23 H new ATOM 0 HG13 VAL A 23 -5.592 2.822 1.175 1.00 13.23 H new ATOM 0 HG21 VAL A 23 -5.812 2.675 -1.877 1.00 33.42 H new ATOM 0 HG22 VAL A 23 -6.442 1.419 -0.785 1.00 33.42 H new ATOM 0 HG23 VAL A 23 -7.521 2.189 -1.973 1.00 33.42 H new ATOM 371 N LYS A 24 -8.239 3.928 2.793 1.00 23.54 N ATOM 372 CA LYS A 24 -8.461 4.961 3.772 1.00 74.44 C ATOM 373 C LYS A 24 -7.200 5.775 4.034 1.00 12.11 C ATOM 374 O LYS A 24 -7.275 6.986 4.231 1.00 34.23 O ATOM 375 CB LYS A 24 -9.072 4.418 5.065 1.00 52.13 C ATOM 376 CG LYS A 24 -8.252 3.420 5.841 1.00 73.40 C ATOM 377 CD LYS A 24 -9.052 2.879 7.023 1.00 50.13 C ATOM 378 CE LYS A 24 -9.583 4.005 7.906 1.00 53.11 C ATOM 379 NZ LYS A 24 -10.345 3.489 9.067 1.00 55.33 N ATOM 0 H LYS A 24 -7.808 3.077 3.155 1.00 23.54 H new ATOM 0 HA LYS A 24 -9.198 5.641 3.345 1.00 74.44 H new ATOM 0 HB2 LYS A 24 -9.286 5.263 5.720 1.00 52.13 H new ATOM 0 HB3 LYS A 24 -10.027 3.954 4.820 1.00 52.13 H new ATOM 0 HG2 LYS A 24 -7.954 2.599 5.189 1.00 73.40 H new ATOM 0 HG3 LYS A 24 -7.337 3.891 6.198 1.00 73.40 H new ATOM 0 HD2 LYS A 24 -9.886 2.281 6.655 1.00 50.13 H new ATOM 0 HD3 LYS A 24 -8.422 2.217 7.617 1.00 50.13 H new ATOM 0 HE2 LYS A 24 -8.749 4.611 8.260 1.00 53.11 H new ATOM 0 HE3 LYS A 24 -10.223 4.659 7.314 1.00 53.11 H new ATOM 0 HZ1 LYS A 24 -10.687 4.287 9.640 1.00 55.33 H new ATOM 0 HZ2 LYS A 24 -11.156 2.932 8.730 1.00 55.33 H new ATOM 0 HZ3 LYS A 24 -9.728 2.886 9.647 1.00 55.33 H new ATOM 393 N HIS A 25 -6.030 5.130 4.022 1.00 53.22 N ATOM 394 CA HIS A 25 -4.793 5.885 4.212 1.00 3.14 C ATOM 395 C HIS A 25 -3.693 5.379 3.308 1.00 72.33 C ATOM 396 O HIS A 25 -3.528 4.161 3.144 1.00 31.52 O ATOM 397 CB HIS A 25 -4.309 5.988 5.718 1.00 14.13 C ATOM 398 CG HIS A 25 -3.636 4.803 6.396 1.00 33.05 C ATOM 399 ND1 HIS A 25 -3.012 4.924 7.618 1.00 52.41 N ATOM 400 CD2 HIS A 25 -3.450 3.526 6.030 1.00 60.11 C ATOM 401 CE1 HIS A 25 -2.478 3.780 7.965 1.00 0.41 C ATOM 402 NE2 HIS A 25 -2.726 2.911 7.023 1.00 73.02 N ATOM 0 H HIS A 25 -5.915 4.125 3.888 1.00 53.22 H new ATOM 0 HA HIS A 25 -5.036 6.908 3.924 1.00 3.14 H new ATOM 0 HB2 HIS A 25 -3.617 6.828 5.777 1.00 14.13 H new ATOM 0 HB3 HIS A 25 -5.180 6.250 6.319 1.00 14.13 H new ATOM 0 HD2 HIS A 25 -3.805 3.065 5.120 1.00 60.11 H new ATOM 0 HE1 HIS A 25 -1.927 3.588 8.874 1.00 0.41 H new ATOM 0 HE2 HIS A 25 -2.431 1.935 7.024 1.00 73.02 H new ATOM 411 N LEU A 26 -2.985 6.297 2.706 1.00 11.21 N ATOM 412 CA LEU A 26 -1.855 5.994 1.863 1.00 51.23 C ATOM 413 C LEU A 26 -0.584 6.294 2.613 1.00 23.32 C ATOM 414 O LEU A 26 -0.464 7.346 3.261 1.00 11.53 O ATOM 415 CB LEU A 26 -1.857 6.812 0.543 1.00 61.33 C ATOM 416 CG LEU A 26 -2.928 6.504 -0.526 1.00 12.04 C ATOM 417 CD1 LEU A 26 -2.866 5.053 -0.963 1.00 42.15 C ATOM 418 CD2 LEU A 26 -4.331 6.904 -0.081 1.00 53.10 C ATOM 0 H LEU A 26 -3.179 7.295 2.788 1.00 11.21 H new ATOM 0 HA LEU A 26 -1.922 4.938 1.601 1.00 51.23 H new ATOM 0 HB2 LEU A 26 -1.950 7.865 0.808 1.00 61.33 H new ATOM 0 HB3 LEU A 26 -0.880 6.686 0.076 1.00 61.33 H new ATOM 0 HG LEU A 26 -2.697 7.121 -1.394 1.00 12.04 H new ATOM 0 HD11 LEU A 26 -3.632 4.867 -1.716 1.00 42.15 H new ATOM 0 HD12 LEU A 26 -1.883 4.842 -1.385 1.00 42.15 H new ATOM 0 HD13 LEU A 26 -3.038 4.406 -0.103 1.00 42.15 H new ATOM 0 HD21 LEU A 26 -5.045 6.666 -0.870 1.00 53.10 H new ATOM 0 HD22 LEU A 26 -4.595 6.358 0.825 1.00 53.10 H new ATOM 0 HD23 LEU A 26 -4.357 7.975 0.120 1.00 53.10 H new ATOM 430 N LYS A 27 0.323 5.380 2.570 1.00 44.33 N ATOM 431 CA LYS A 27 1.609 5.541 3.163 1.00 13.41 C ATOM 432 C LYS A 27 2.617 4.903 2.238 1.00 22.42 C ATOM 433 O LYS A 27 2.494 3.747 1.915 1.00 70.23 O ATOM 434 CB LYS A 27 1.610 4.848 4.531 1.00 21.05 C ATOM 435 CG LYS A 27 2.935 4.861 5.256 1.00 65.23 C ATOM 436 CD LYS A 27 2.818 4.231 6.634 1.00 34.12 C ATOM 437 CE LYS A 27 2.285 2.801 6.582 1.00 3.04 C ATOM 438 NZ LYS A 27 2.313 2.163 7.914 1.00 64.54 N ATOM 0 H LYS A 27 0.190 4.479 2.111 1.00 44.33 H new ATOM 0 HA LYS A 27 1.858 6.592 3.309 1.00 13.41 H new ATOM 0 HB2 LYS A 27 0.863 5.327 5.164 1.00 21.05 H new ATOM 0 HB3 LYS A 27 1.297 3.812 4.396 1.00 21.05 H new ATOM 0 HG2 LYS A 27 3.678 4.321 4.669 1.00 65.23 H new ATOM 0 HG3 LYS A 27 3.289 5.887 5.352 1.00 65.23 H new ATOM 0 HD2 LYS A 27 3.796 4.233 7.115 1.00 34.12 H new ATOM 0 HD3 LYS A 27 2.158 4.839 7.253 1.00 34.12 H new ATOM 0 HE2 LYS A 27 1.264 2.806 6.202 1.00 3.04 H new ATOM 0 HE3 LYS A 27 2.882 2.214 5.884 1.00 3.04 H new ATOM 0 HZ1 LYS A 27 1.944 1.193 7.842 1.00 64.54 H new ATOM 0 HZ2 LYS A 27 3.291 2.136 8.266 1.00 64.54 H new ATOM 0 HZ3 LYS A 27 1.723 2.710 8.573 1.00 64.54 H new ATOM 452 N ILE A 28 3.595 5.633 1.813 1.00 62.31 N ATOM 453 CA ILE A 28 4.545 5.085 0.890 1.00 24.52 C ATOM 454 C ILE A 28 5.906 4.953 1.546 1.00 63.43 C ATOM 455 O ILE A 28 6.404 5.888 2.172 1.00 15.21 O ATOM 456 CB ILE A 28 4.607 5.884 -0.449 1.00 62.21 C ATOM 457 CG1 ILE A 28 3.200 5.916 -1.087 1.00 2.31 C ATOM 458 CG2 ILE A 28 5.589 5.228 -1.405 1.00 74.22 C ATOM 459 CD1 ILE A 28 3.120 6.593 -2.447 1.00 45.12 C ATOM 0 H ILE A 28 3.760 6.602 2.084 1.00 62.31 H new ATOM 0 HA ILE A 28 4.205 4.085 0.620 1.00 24.52 H new ATOM 0 HB ILE A 28 4.942 6.901 -0.246 1.00 62.21 H new ATOM 0 HG12 ILE A 28 2.841 4.892 -1.187 1.00 2.31 H new ATOM 0 HG13 ILE A 28 2.521 6.427 -0.404 1.00 2.31 H new ATOM 0 HG21 ILE A 28 5.624 5.794 -2.336 1.00 74.22 H new ATOM 0 HG22 ILE A 28 6.581 5.211 -0.953 1.00 74.22 H new ATOM 0 HG23 ILE A 28 5.268 4.207 -1.613 1.00 74.22 H new ATOM 0 HD11 ILE A 28 2.092 6.563 -2.808 1.00 45.12 H new ATOM 0 HD12 ILE A 28 3.443 7.630 -2.357 1.00 45.12 H new ATOM 0 HD13 ILE A 28 3.768 6.072 -3.152 1.00 45.12 H new ATOM 471 N LEU A 29 6.471 3.784 1.435 1.00 61.40 N ATOM 472 CA LEU A 29 7.712 3.453 2.063 1.00 52.34 C ATOM 473 C LEU A 29 8.792 3.191 1.028 1.00 51.43 C ATOM 474 O LEU A 29 8.673 2.288 0.184 1.00 71.11 O ATOM 475 CB LEU A 29 7.513 2.241 2.975 1.00 35.12 C ATOM 476 CG LEU A 29 8.732 1.751 3.756 1.00 65.11 C ATOM 477 CD1 LEU A 29 9.353 2.889 4.552 1.00 12.02 C ATOM 478 CD2 LEU A 29 8.312 0.647 4.695 1.00 34.32 C ATOM 0 H LEU A 29 6.070 3.019 0.892 1.00 61.40 H new ATOM 0 HA LEU A 29 8.043 4.298 2.667 1.00 52.34 H new ATOM 0 HB2 LEU A 29 6.727 2.481 3.691 1.00 35.12 H new ATOM 0 HB3 LEU A 29 7.147 1.415 2.365 1.00 35.12 H new ATOM 0 HG LEU A 29 9.474 1.376 3.051 1.00 65.11 H new ATOM 0 HD11 LEU A 29 10.219 2.519 5.101 1.00 12.02 H new ATOM 0 HD12 LEU A 29 9.666 3.681 3.871 1.00 12.02 H new ATOM 0 HD13 LEU A 29 8.620 3.284 5.255 1.00 12.02 H new ATOM 0 HD21 LEU A 29 9.179 0.295 5.254 1.00 34.32 H new ATOM 0 HD22 LEU A 29 7.562 1.026 5.389 1.00 34.32 H new ATOM 0 HD23 LEU A 29 7.891 -0.178 4.121 1.00 34.32 H new ATOM 490 N ASN A 30 9.830 3.964 1.094 1.00 21.14 N ATOM 491 CA ASN A 30 10.939 3.831 0.189 1.00 20.41 C ATOM 492 C ASN A 30 11.921 2.890 0.838 1.00 31.03 C ATOM 493 O ASN A 30 12.360 3.137 1.958 1.00 70.05 O ATOM 494 CB ASN A 30 11.612 5.198 -0.046 1.00 73.31 C ATOM 495 CG ASN A 30 10.642 6.279 -0.509 1.00 50.23 C ATOM 496 OD1 ASN A 30 10.402 6.458 -1.703 1.00 12.41 O ATOM 497 ND2 ASN A 30 10.103 7.025 0.427 1.00 54.14 N ATOM 0 H ASN A 30 9.937 4.711 1.780 1.00 21.14 H new ATOM 0 HA ASN A 30 10.602 3.454 -0.777 1.00 20.41 H new ATOM 0 HB2 ASN A 30 12.092 5.522 0.878 1.00 73.31 H new ATOM 0 HB3 ASN A 30 12.399 5.084 -0.791 1.00 73.31 H new ATOM 0 HD21 ASN A 30 9.465 7.779 0.174 1.00 54.14 H new ATOM 0 HD22 ASN A 30 10.323 6.851 1.408 1.00 54.14 H new ATOM 504 N THR A 31 12.245 1.806 0.193 1.00 73.45 N ATOM 505 CA THR A 31 13.135 0.862 0.789 1.00 11.43 C ATOM 506 C THR A 31 14.342 0.660 -0.143 1.00 2.14 C ATOM 507 O THR A 31 14.174 0.253 -1.266 1.00 51.22 O ATOM 508 CB THR A 31 12.361 -0.436 1.079 1.00 54.13 C ATOM 509 OG1 THR A 31 11.237 -0.111 1.927 1.00 11.41 O ATOM 510 CG2 THR A 31 13.215 -1.446 1.791 1.00 24.24 C ATOM 0 H THR A 31 11.908 1.559 -0.737 1.00 73.45 H new ATOM 0 HA THR A 31 13.525 1.220 1.742 1.00 11.43 H new ATOM 0 HB THR A 31 12.042 -0.867 0.130 1.00 54.13 H new ATOM 0 HG1 THR A 31 10.729 -0.926 2.123 1.00 11.41 H new ATOM 0 HG21 THR A 31 12.632 -2.348 1.978 1.00 24.24 H new ATOM 0 HG22 THR A 31 14.078 -1.693 1.173 1.00 24.24 H new ATOM 0 HG23 THR A 31 13.555 -1.031 2.740 1.00 24.24 H new ATOM 518 N PRO A 32 15.573 0.956 0.347 1.00 71.24 N ATOM 519 CA PRO A 32 16.793 1.043 -0.489 1.00 73.15 C ATOM 520 C PRO A 32 17.104 -0.171 -1.374 1.00 43.51 C ATOM 521 O PRO A 32 17.405 -0.016 -2.548 1.00 32.10 O ATOM 522 CB PRO A 32 17.931 1.285 0.519 1.00 4.25 C ATOM 523 CG PRO A 32 17.357 0.962 1.857 1.00 63.03 C ATOM 524 CD PRO A 32 15.879 1.214 1.764 1.00 74.20 C ATOM 0 HA PRO A 32 16.657 1.836 -1.224 1.00 73.15 H new ATOM 0 HB2 PRO A 32 18.791 0.653 0.298 1.00 4.25 H new ATOM 0 HB3 PRO A 32 18.276 2.318 0.480 1.00 4.25 H new ATOM 0 HG2 PRO A 32 17.557 -0.076 2.124 1.00 63.03 H new ATOM 0 HG3 PRO A 32 17.808 1.583 2.632 1.00 63.03 H new ATOM 0 HD2 PRO A 32 15.317 0.552 2.423 1.00 74.20 H new ATOM 0 HD3 PRO A 32 15.628 2.236 2.049 1.00 74.20 H new ATOM 532 N ASN A 33 17.035 -1.354 -0.825 1.00 62.13 N ATOM 533 CA ASN A 33 17.417 -2.566 -1.573 1.00 0.54 C ATOM 534 C ASN A 33 16.191 -3.264 -2.114 1.00 62.43 C ATOM 535 O ASN A 33 16.255 -4.375 -2.661 1.00 53.54 O ATOM 536 CB ASN A 33 18.226 -3.511 -0.677 1.00 20.15 C ATOM 537 CG ASN A 33 19.478 -2.856 -0.130 1.00 11.43 C ATOM 538 OD1 ASN A 33 20.547 -2.898 -0.742 1.00 25.32 O ATOM 539 ND2 ASN A 33 19.359 -2.243 1.019 1.00 60.41 N ATOM 0 H ASN A 33 16.722 -1.525 0.131 1.00 62.13 H new ATOM 0 HA ASN A 33 18.041 -2.271 -2.417 1.00 0.54 H new ATOM 0 HB2 ASN A 33 17.602 -3.845 0.152 1.00 20.15 H new ATOM 0 HB3 ASN A 33 18.502 -4.399 -1.246 1.00 20.15 H new ATOM 0 HD21 ASN A 33 20.166 -1.780 1.436 1.00 60.41 H new ATOM 0 HD22 ASN A 33 18.459 -2.228 1.498 1.00 60.41 H new ATOM 546 N CYS A 34 15.098 -2.596 -1.985 1.00 3.11 N ATOM 547 CA CYS A 34 13.836 -3.059 -2.383 1.00 34.14 C ATOM 548 C CYS A 34 13.218 -2.048 -3.311 1.00 62.43 C ATOM 549 O CYS A 34 13.823 -1.020 -3.603 1.00 53.42 O ATOM 550 CB CYS A 34 12.974 -3.288 -1.173 1.00 52.43 C ATOM 551 SG CYS A 34 13.588 -4.592 -0.060 1.00 51.10 S ATOM 0 H CYS A 34 15.071 -1.662 -1.575 1.00 3.11 H new ATOM 0 HA CYS A 34 13.930 -4.008 -2.911 1.00 34.14 H new ATOM 0 HB2 CYS A 34 12.895 -2.355 -0.614 1.00 52.43 H new ATOM 0 HB3 CYS A 34 11.968 -3.549 -1.501 1.00 52.43 H new ATOM 556 N ALA A 35 12.084 -2.350 -3.817 1.00 21.33 N ATOM 557 CA ALA A 35 11.402 -1.465 -4.708 1.00 41.05 C ATOM 558 C ALA A 35 10.652 -0.401 -3.914 1.00 2.20 C ATOM 559 O ALA A 35 10.965 -0.138 -2.744 1.00 43.02 O ATOM 560 CB ALA A 35 10.473 -2.266 -5.599 1.00 45.14 C ATOM 0 H ALA A 35 11.590 -3.223 -3.629 1.00 21.33 H new ATOM 0 HA ALA A 35 12.121 -0.950 -5.345 1.00 41.05 H new ATOM 0 HB1 ALA A 35 9.952 -1.593 -6.280 1.00 45.14 H new ATOM 0 HB2 ALA A 35 11.053 -2.987 -6.175 1.00 45.14 H new ATOM 0 HB3 ALA A 35 9.745 -2.795 -4.984 1.00 45.14 H new ATOM 566 N LEU A 36 9.711 0.226 -4.534 1.00 0.32 N ATOM 567 CA LEU A 36 8.944 1.253 -3.898 1.00 1.30 C ATOM 568 C LEU A 36 7.682 0.617 -3.285 1.00 4.01 C ATOM 569 O LEU A 36 6.823 0.114 -4.006 1.00 22.40 O ATOM 570 CB LEU A 36 8.636 2.352 -4.966 1.00 63.34 C ATOM 571 CG LEU A 36 7.913 3.651 -4.542 1.00 53.15 C ATOM 572 CD1 LEU A 36 6.462 3.412 -4.205 1.00 2.32 C ATOM 573 CD2 LEU A 36 8.630 4.303 -3.373 1.00 53.31 C ATOM 0 H LEU A 36 9.447 0.043 -5.502 1.00 0.32 H new ATOM 0 HA LEU A 36 9.482 1.732 -3.080 1.00 1.30 H new ATOM 0 HB2 LEU A 36 9.584 2.640 -5.419 1.00 63.34 H new ATOM 0 HB3 LEU A 36 8.037 1.887 -5.749 1.00 63.34 H new ATOM 0 HG LEU A 36 7.939 4.327 -5.396 1.00 53.15 H new ATOM 0 HD11 LEU A 36 5.996 4.353 -3.913 1.00 2.32 H new ATOM 0 HD12 LEU A 36 5.948 3.008 -5.077 1.00 2.32 H new ATOM 0 HD13 LEU A 36 6.392 2.702 -3.381 1.00 2.32 H new ATOM 0 HD21 LEU A 36 8.107 5.216 -3.089 1.00 53.31 H new ATOM 0 HD22 LEU A 36 8.647 3.616 -2.527 1.00 53.31 H new ATOM 0 HD23 LEU A 36 9.652 4.546 -3.663 1.00 53.31 H new ATOM 585 N GLN A 37 7.594 0.599 -1.950 1.00 52.32 N ATOM 586 CA GLN A 37 6.421 0.022 -1.298 1.00 73.15 C ATOM 587 C GLN A 37 5.370 1.063 -1.035 1.00 15.14 C ATOM 588 O GLN A 37 5.637 2.077 -0.422 1.00 41.24 O ATOM 589 CB GLN A 37 6.713 -0.729 0.049 1.00 43.23 C ATOM 590 CG GLN A 37 7.284 -2.168 -0.014 1.00 61.12 C ATOM 591 CD GLN A 37 8.750 -2.321 -0.350 1.00 60.53 C ATOM 592 OE1 GLN A 37 9.272 -1.460 -1.109 1.00 22.53 O flip ATOM 593 NE2 GLN A 37 9.389 -3.259 0.089 1.00 51.44 N flip ATOM 0 H GLN A 37 8.303 0.968 -1.317 1.00 52.32 H new ATOM 0 HA GLN A 37 6.068 -0.721 -2.013 1.00 73.15 H new ATOM 0 HB2 GLN A 37 7.412 -0.120 0.623 1.00 43.23 H new ATOM 0 HB3 GLN A 37 5.783 -0.766 0.616 1.00 43.23 H new ATOM 0 HG2 GLN A 37 7.109 -2.642 0.951 1.00 61.12 H new ATOM 0 HG3 GLN A 37 6.709 -2.726 -0.753 1.00 61.12 H new ATOM 0 HE21 GLN A 37 8.940 -3.940 0.701 1.00 51.44 H new ATOM 0 HE22 GLN A 37 10.374 -3.364 -0.155 1.00 51.44 H new ATOM 602 N ILE A 38 4.194 0.814 -1.497 1.00 10.21 N ATOM 603 CA ILE A 38 3.074 1.649 -1.188 1.00 34.32 C ATOM 604 C ILE A 38 2.203 0.857 -0.244 1.00 4.40 C ATOM 605 O ILE A 38 1.865 -0.269 -0.535 1.00 0.24 O ATOM 606 CB ILE A 38 2.265 2.001 -2.451 1.00 23.52 C ATOM 607 CG1 ILE A 38 3.143 2.724 -3.468 1.00 43.34 C ATOM 608 CG2 ILE A 38 1.025 2.837 -2.100 1.00 42.32 C ATOM 609 CD1 ILE A 38 2.445 3.034 -4.767 1.00 74.24 C ATOM 0 H ILE A 38 3.976 0.023 -2.103 1.00 10.21 H new ATOM 0 HA ILE A 38 3.415 2.587 -0.751 1.00 34.32 H new ATOM 0 HB ILE A 38 1.919 1.070 -2.901 1.00 23.52 H new ATOM 0 HG12 ILE A 38 3.500 3.655 -3.028 1.00 43.34 H new ATOM 0 HG13 ILE A 38 4.021 2.112 -3.676 1.00 43.34 H new ATOM 0 HG21 ILE A 38 0.474 3.070 -3.011 1.00 42.32 H new ATOM 0 HG22 ILE A 38 0.385 2.271 -1.423 1.00 42.32 H new ATOM 0 HG23 ILE A 38 1.336 3.763 -1.617 1.00 42.32 H new ATOM 0 HD11 ILE A 38 3.134 3.548 -5.437 1.00 74.24 H new ATOM 0 HD12 ILE A 38 2.112 2.106 -5.231 1.00 74.24 H new ATOM 0 HD13 ILE A 38 1.583 3.673 -4.574 1.00 74.24 H new ATOM 621 N VAL A 39 1.890 1.411 0.871 1.00 71.31 N ATOM 622 CA VAL A 39 1.089 0.747 1.862 1.00 34.13 C ATOM 623 C VAL A 39 -0.258 1.451 1.963 1.00 62.34 C ATOM 624 O VAL A 39 -0.321 2.687 2.039 1.00 2.24 O ATOM 625 CB VAL A 39 1.793 0.771 3.246 1.00 53.31 C ATOM 626 CG1 VAL A 39 0.991 0.020 4.280 1.00 51.10 C ATOM 627 CG2 VAL A 39 3.209 0.210 3.155 1.00 51.51 C ATOM 0 H VAL A 39 2.182 2.352 1.135 1.00 71.31 H new ATOM 0 HA VAL A 39 0.949 -0.293 1.566 1.00 34.13 H new ATOM 0 HB VAL A 39 1.860 1.813 3.560 1.00 53.31 H new ATOM 0 HG11 VAL A 39 1.509 0.055 5.238 1.00 51.10 H new ATOM 0 HG12 VAL A 39 0.008 0.480 4.382 1.00 51.10 H new ATOM 0 HG13 VAL A 39 0.875 -1.018 3.967 1.00 51.10 H new ATOM 0 HG21 VAL A 39 3.676 0.240 4.139 1.00 51.51 H new ATOM 0 HG22 VAL A 39 3.170 -0.821 2.803 1.00 51.51 H new ATOM 0 HG23 VAL A 39 3.794 0.810 2.457 1.00 51.51 H new ATOM 637 N ALA A 40 -1.313 0.688 1.961 1.00 44.02 N ATOM 638 CA ALA A 40 -2.641 1.230 2.012 1.00 1.02 C ATOM 639 C ALA A 40 -3.511 0.411 2.905 1.00 21.01 C ATOM 640 O ALA A 40 -3.457 -0.809 2.882 1.00 73.30 O ATOM 641 CB ALA A 40 -3.230 1.228 0.634 1.00 1.32 C ATOM 0 H ALA A 40 -1.277 -0.331 1.924 1.00 44.02 H new ATOM 0 HA ALA A 40 -2.585 2.246 2.402 1.00 1.02 H new ATOM 0 HB1 ALA A 40 -4.239 1.639 0.669 1.00 1.32 H new ATOM 0 HB2 ALA A 40 -2.613 1.837 -0.026 1.00 1.32 H new ATOM 0 HB3 ALA A 40 -3.267 0.206 0.256 1.00 1.32 H new ATOM 647 N ARG A 41 -4.307 1.068 3.699 1.00 62.54 N ATOM 648 CA ARG A 41 -5.245 0.361 4.521 1.00 3.22 C ATOM 649 C ARG A 41 -6.586 0.576 3.930 1.00 43.54 C ATOM 650 O ARG A 41 -6.943 1.705 3.609 1.00 23.11 O ATOM 651 CB ARG A 41 -5.201 0.807 5.978 1.00 22.52 C ATOM 652 CG ARG A 41 -5.951 -0.113 6.921 1.00 23.13 C ATOM 653 CD ARG A 41 -5.367 -0.088 8.331 1.00 43.32 C ATOM 654 NE ARG A 41 -5.242 1.256 8.905 1.00 15.13 N ATOM 655 CZ ARG A 41 -4.544 1.532 10.027 1.00 61.11 C ATOM 656 NH1 ARG A 41 -3.927 0.563 10.687 1.00 41.11 N ATOM 657 NH2 ARG A 41 -4.475 2.773 10.474 1.00 43.32 N ATOM 0 H ARG A 41 -4.326 2.083 3.794 1.00 62.54 H new ATOM 0 HA ARG A 41 -4.992 -0.699 4.540 1.00 3.22 H new ATOM 0 HB2 ARG A 41 -4.161 0.871 6.298 1.00 22.52 H new ATOM 0 HB3 ARG A 41 -5.620 1.810 6.054 1.00 22.52 H new ATOM 0 HG2 ARG A 41 -7.000 0.183 6.958 1.00 23.13 H new ATOM 0 HG3 ARG A 41 -5.920 -1.132 6.534 1.00 23.13 H new ATOM 0 HD2 ARG A 41 -5.996 -0.693 8.984 1.00 43.32 H new ATOM 0 HD3 ARG A 41 -4.383 -0.557 8.313 1.00 43.32 H new ATOM 0 HE ARG A 41 -5.710 2.027 8.429 1.00 15.13 H new ATOM 0 HH11 ARG A 41 -3.978 -0.398 10.348 1.00 41.11 H new ATOM 0 HH12 ARG A 41 -3.401 0.778 11.534 1.00 41.11 H new ATOM 0 HH21 ARG A 41 -4.949 3.523 9.971 1.00 43.32 H new ATOM 0 HH22 ARG A 41 -3.947 2.981 11.322 1.00 43.32 H new ATOM 671 N LEU A 42 -7.295 -0.476 3.750 1.00 2.00 N ATOM 672 CA LEU A 42 -8.568 -0.437 3.089 1.00 23.41 C ATOM 673 C LEU A 42 -9.663 0.068 4.009 1.00 33.53 C ATOM 674 O LEU A 42 -9.563 -0.041 5.221 1.00 41.22 O ATOM 675 CB LEU A 42 -8.870 -1.825 2.539 1.00 24.41 C ATOM 676 CG LEU A 42 -7.770 -2.410 1.634 1.00 30.32 C ATOM 677 CD1 LEU A 42 -8.197 -3.703 1.011 1.00 64.20 C ATOM 678 CD2 LEU A 42 -7.279 -1.411 0.596 1.00 54.42 C ATOM 0 H LEU A 42 -7.013 -1.407 4.058 1.00 2.00 H new ATOM 0 HA LEU A 42 -8.529 0.272 2.262 1.00 23.41 H new ATOM 0 HB2 LEU A 42 -9.034 -2.505 3.375 1.00 24.41 H new ATOM 0 HB3 LEU A 42 -9.802 -1.783 1.975 1.00 24.41 H new ATOM 0 HG LEU A 42 -6.917 -2.628 2.277 1.00 30.32 H new ATOM 0 HD11 LEU A 42 -7.395 -4.085 0.380 1.00 64.20 H new ATOM 0 HD12 LEU A 42 -8.419 -4.428 1.794 1.00 64.20 H new ATOM 0 HD13 LEU A 42 -9.088 -3.538 0.405 1.00 64.20 H new ATOM 0 HD21 LEU A 42 -6.504 -1.873 -0.016 1.00 54.42 H new ATOM 0 HD22 LEU A 42 -8.111 -1.108 -0.040 1.00 54.42 H new ATOM 0 HD23 LEU A 42 -6.869 -0.535 1.099 1.00 54.42 H new ATOM 690 N LYS A 43 -10.676 0.651 3.424 1.00 42.23 N ATOM 691 CA LYS A 43 -11.791 1.190 4.158 1.00 52.04 C ATOM 692 C LYS A 43 -12.700 0.090 4.677 1.00 42.15 C ATOM 693 O LYS A 43 -12.793 -0.140 5.894 1.00 15.53 O ATOM 694 CB LYS A 43 -12.579 2.170 3.276 1.00 31.11 C ATOM 695 CG LYS A 43 -11.790 3.397 2.880 1.00 12.15 C ATOM 696 CD LYS A 43 -12.578 4.360 2.012 1.00 12.53 C ATOM 697 CE LYS A 43 -13.821 4.859 2.719 1.00 22.35 C ATOM 698 NZ LYS A 43 -14.465 5.968 1.990 1.00 33.43 N ATOM 0 H LYS A 43 -10.751 0.766 2.413 1.00 42.23 H new ATOM 0 HA LYS A 43 -11.399 1.726 5.022 1.00 52.04 H new ATOM 0 HB2 LYS A 43 -12.906 1.652 2.374 1.00 31.11 H new ATOM 0 HB3 LYS A 43 -13.478 2.482 3.808 1.00 31.11 H new ATOM 0 HG2 LYS A 43 -11.461 3.916 3.780 1.00 12.15 H new ATOM 0 HG3 LYS A 43 -10.892 3.087 2.345 1.00 12.15 H new ATOM 0 HD2 LYS A 43 -11.947 5.207 1.742 1.00 12.53 H new ATOM 0 HD3 LYS A 43 -12.861 3.865 1.083 1.00 12.53 H new ATOM 0 HE2 LYS A 43 -14.529 4.038 2.829 1.00 22.35 H new ATOM 0 HE3 LYS A 43 -13.558 5.190 3.724 1.00 22.35 H new ATOM 0 HZ1 LYS A 43 -15.311 6.279 2.508 1.00 33.43 H new ATOM 0 HZ2 LYS A 43 -13.799 6.762 1.907 1.00 33.43 H new ATOM 0 HZ3 LYS A 43 -14.740 5.646 1.040 1.00 33.43 H new ATOM 712 N ASN A 44 -13.333 -0.608 3.765 1.00 31.42 N ATOM 713 CA ASN A 44 -14.311 -1.630 4.138 1.00 22.21 C ATOM 714 C ASN A 44 -13.631 -2.921 4.548 1.00 11.53 C ATOM 715 O ASN A 44 -14.065 -3.601 5.479 1.00 34.03 O ATOM 716 CB ASN A 44 -15.303 -1.887 2.992 1.00 21.15 C ATOM 717 CG ASN A 44 -16.399 -2.872 3.364 1.00 73.35 C ATOM 718 OD1 ASN A 44 -16.262 -4.084 3.180 1.00 61.24 O ATOM 719 ND2 ASN A 44 -17.492 -2.361 3.876 1.00 41.14 N ATOM 0 H ASN A 44 -13.197 -0.496 2.760 1.00 31.42 H new ATOM 0 HA ASN A 44 -14.866 -1.253 4.997 1.00 22.21 H new ATOM 0 HB2 ASN A 44 -15.757 -0.942 2.694 1.00 21.15 H new ATOM 0 HB3 ASN A 44 -14.759 -2.267 2.127 1.00 21.15 H new ATOM 0 HD21 ASN A 44 -18.266 -2.971 4.137 1.00 41.14 H new ATOM 0 HD22 ASN A 44 -17.568 -1.353 4.013 1.00 41.14 H new ATOM 726 N ASN A 45 -12.551 -3.249 3.866 1.00 14.13 N ATOM 727 CA ASN A 45 -11.826 -4.476 4.161 1.00 45.40 C ATOM 728 C ASN A 45 -10.895 -4.252 5.364 1.00 64.54 C ATOM 729 O ASN A 45 -10.612 -5.174 6.122 1.00 14.11 O ATOM 730 CB ASN A 45 -11.061 -4.964 2.905 1.00 54.44 C ATOM 731 CG ASN A 45 -10.374 -6.325 3.072 1.00 53.33 C ATOM 732 OD1 ASN A 45 -9.327 -6.562 2.313 1.00 70.32 O flip ATOM 733 ND2 ASN A 45 -10.807 -7.165 3.844 1.00 10.23 N flip ATOM 0 H ASN A 45 -12.156 -2.690 3.109 1.00 14.13 H new ATOM 0 HA ASN A 45 -12.529 -5.264 4.431 1.00 45.40 H new ATOM 0 HB2 ASN A 45 -11.758 -5.023 2.069 1.00 54.44 H new ATOM 0 HB3 ASN A 45 -10.309 -4.221 2.641 1.00 54.44 H new ATOM 0 HD21 ASN A 45 -11.621 -6.955 4.422 1.00 10.23 H new ATOM 0 HD22 ASN A 45 -10.355 -8.077 3.912 1.00 10.23 H new ATOM 740 N ASN A 46 -10.430 -2.995 5.519 1.00 14.22 N ATOM 741 CA ASN A 46 -9.582 -2.526 6.681 1.00 2.14 C ATOM 742 C ASN A 46 -8.211 -3.192 6.738 1.00 73.44 C ATOM 743 O ASN A 46 -7.371 -2.846 7.561 1.00 61.14 O ATOM 744 CB ASN A 46 -10.369 -2.639 8.026 1.00 34.01 C ATOM 745 CG ASN A 46 -9.629 -2.081 9.248 1.00 42.01 C ATOM 746 OD1 ASN A 46 -9.702 -0.887 9.528 1.00 21.14 O ATOM 747 ND2 ASN A 46 -8.976 -2.938 10.007 1.00 72.35 N ATOM 0 H ASN A 46 -10.624 -2.255 4.845 1.00 14.22 H new ATOM 0 HA ASN A 46 -9.369 -1.470 6.513 1.00 2.14 H new ATOM 0 HB2 ASN A 46 -11.318 -2.114 7.921 1.00 34.01 H new ATOM 0 HB3 ASN A 46 -10.604 -3.688 8.207 1.00 34.01 H new ATOM 0 HD21 ASN A 46 -8.512 -2.616 10.856 1.00 72.35 H new ATOM 0 HD22 ASN A 46 -8.935 -3.923 9.745 1.00 72.35 H new ATOM 754 N ARG A 47 -7.961 -4.108 5.853 1.00 2.11 N ATOM 755 CA ARG A 47 -6.717 -4.749 5.814 1.00 12.41 C ATOM 756 C ARG A 47 -5.714 -3.866 5.155 1.00 41.42 C ATOM 757 O ARG A 47 -6.044 -3.122 4.222 1.00 30.53 O ATOM 758 CB ARG A 47 -6.863 -6.048 5.115 1.00 63.51 C ATOM 759 CG ARG A 47 -7.719 -7.012 5.886 1.00 53.23 C ATOM 760 CD ARG A 47 -7.908 -8.261 5.117 1.00 53.35 C ATOM 761 NE ARG A 47 -8.529 -9.316 5.919 1.00 20.20 N ATOM 762 CZ ARG A 47 -9.261 -10.329 5.445 1.00 23.33 C ATOM 763 NH1 ARG A 47 -9.480 -10.449 4.142 1.00 1.55 N ATOM 764 NH2 ARG A 47 -9.768 -11.228 6.284 1.00 14.03 N ATOM 0 H ARG A 47 -8.625 -4.420 5.145 1.00 2.11 H new ATOM 0 HA ARG A 47 -6.359 -4.948 6.824 1.00 12.41 H new ATOM 0 HB2 ARG A 47 -7.301 -5.882 4.131 1.00 63.51 H new ATOM 0 HB3 ARG A 47 -5.878 -6.486 4.956 1.00 63.51 H new ATOM 0 HG2 ARG A 47 -7.253 -7.235 6.846 1.00 53.23 H new ATOM 0 HG3 ARG A 47 -8.687 -6.559 6.099 1.00 53.23 H new ATOM 0 HD2 ARG A 47 -8.528 -8.058 4.244 1.00 53.35 H new ATOM 0 HD3 ARG A 47 -6.943 -8.608 4.748 1.00 53.35 H new ATOM 0 HE ARG A 47 -8.391 -9.275 6.929 1.00 20.20 H new ATOM 0 HH11 ARG A 47 -9.089 -9.765 3.494 1.00 1.55 H new ATOM 0 HH12 ARG A 47 -10.040 -11.225 3.788 1.00 1.55 H new ATOM 0 HH21 ARG A 47 -9.598 -11.143 7.286 1.00 14.03 H new ATOM 0 HH22 ARG A 47 -10.327 -12.002 5.925 1.00 14.03 H new ATOM 778 N GLN A 48 -4.526 -3.898 5.647 1.00 5.23 N ATOM 779 CA GLN A 48 -3.524 -3.081 5.135 1.00 40.34 C ATOM 780 C GLN A 48 -2.673 -3.867 4.184 1.00 53.32 C ATOM 781 O GLN A 48 -2.027 -4.864 4.558 1.00 43.51 O ATOM 782 CB GLN A 48 -2.731 -2.451 6.252 1.00 35.14 C ATOM 783 CG GLN A 48 -1.775 -1.452 5.765 1.00 70.15 C ATOM 784 CD GLN A 48 -1.141 -0.658 6.867 1.00 1.35 C ATOM 785 OE1 GLN A 48 -1.657 0.404 7.260 1.00 64.53 O ATOM 786 NE2 GLN A 48 -0.035 -1.127 7.364 1.00 23.34 N ATOM 0 H GLN A 48 -4.237 -4.499 6.419 1.00 5.23 H new ATOM 0 HA GLN A 48 -3.966 -2.259 4.573 1.00 40.34 H new ATOM 0 HB2 GLN A 48 -3.415 -1.981 6.959 1.00 35.14 H new ATOM 0 HB3 GLN A 48 -2.194 -3.228 6.796 1.00 35.14 H new ATOM 0 HG2 GLN A 48 -0.995 -1.953 5.192 1.00 70.15 H new ATOM 0 HG3 GLN A 48 -2.285 -0.772 5.083 1.00 70.15 H new ATOM 0 HE21 GLN A 48 0.352 -2.002 7.011 1.00 23.34 H new ATOM 0 HE22 GLN A 48 0.446 -0.620 8.107 1.00 23.34 H new ATOM 795 N VAL A 49 -2.680 -3.428 2.969 1.00 22.21 N ATOM 796 CA VAL A 49 -2.043 -4.110 1.891 1.00 65.51 C ATOM 797 C VAL A 49 -1.009 -3.214 1.258 1.00 33.21 C ATOM 798 O VAL A 49 -0.819 -2.063 1.684 1.00 14.31 O ATOM 799 CB VAL A 49 -3.089 -4.529 0.817 1.00 51.14 C ATOM 800 CG1 VAL A 49 -4.165 -5.396 1.439 1.00 22.13 C ATOM 801 CG2 VAL A 49 -3.717 -3.307 0.136 1.00 32.24 C ATOM 0 H VAL A 49 -3.141 -2.562 2.691 1.00 22.21 H new ATOM 0 HA VAL A 49 -1.561 -5.005 2.285 1.00 65.51 H new ATOM 0 HB VAL A 49 -2.567 -5.105 0.052 1.00 51.14 H new ATOM 0 HG11 VAL A 49 -4.889 -5.681 0.676 1.00 22.13 H new ATOM 0 HG12 VAL A 49 -3.711 -6.292 1.861 1.00 22.13 H new ATOM 0 HG13 VAL A 49 -4.670 -4.839 2.228 1.00 22.13 H new ATOM 0 HG21 VAL A 49 -4.442 -3.638 -0.608 1.00 32.24 H new ATOM 0 HG22 VAL A 49 -4.218 -2.692 0.883 1.00 32.24 H new ATOM 0 HG23 VAL A 49 -2.938 -2.722 -0.352 1.00 32.24 H new ATOM 811 N CYS A 50 -0.360 -3.717 0.261 1.00 54.24 N ATOM 812 CA CYS A 50 0.622 -2.972 -0.438 1.00 62.00 C ATOM 813 C CYS A 50 0.122 -2.705 -1.840 1.00 22.33 C ATOM 814 O CYS A 50 -0.614 -3.512 -2.405 1.00 71.02 O ATOM 815 CB CYS A 50 1.927 -3.734 -0.459 1.00 20.11 C ATOM 816 SG CYS A 50 2.470 -4.270 1.208 1.00 30.44 S ATOM 0 H CYS A 50 -0.500 -4.664 -0.091 1.00 54.24 H new ATOM 0 HA CYS A 50 0.801 -2.020 0.062 1.00 62.00 H new ATOM 0 HB2 CYS A 50 1.820 -4.610 -1.099 1.00 20.11 H new ATOM 0 HB3 CYS A 50 2.700 -3.107 -0.903 1.00 20.11 H new ATOM 821 N ILE A 51 0.482 -1.590 -2.389 1.00 3.02 N ATOM 822 CA ILE A 51 0.019 -1.202 -3.685 1.00 34.43 C ATOM 823 C ILE A 51 1.165 -1.112 -4.662 1.00 4.02 C ATOM 824 O ILE A 51 2.281 -0.716 -4.303 1.00 42.04 O ATOM 825 CB ILE A 51 -0.721 0.144 -3.648 1.00 60.03 C ATOM 826 CG1 ILE A 51 -1.825 0.107 -2.616 1.00 74.22 C ATOM 827 CG2 ILE A 51 -1.302 0.464 -5.006 1.00 1.14 C ATOM 828 CD1 ILE A 51 -2.674 1.363 -2.611 1.00 41.44 C ATOM 0 H ILE A 51 1.110 -0.917 -1.949 1.00 3.02 H new ATOM 0 HA ILE A 51 -0.679 -1.972 -4.013 1.00 34.43 H new ATOM 0 HB ILE A 51 -0.006 0.921 -3.377 1.00 60.03 H new ATOM 0 HG12 ILE A 51 -2.464 -0.756 -2.806 1.00 74.22 H new ATOM 0 HG13 ILE A 51 -1.387 -0.032 -1.628 1.00 74.22 H new ATOM 0 HG21 ILE A 51 -1.823 1.421 -4.963 1.00 1.14 H new ATOM 0 HG22 ILE A 51 -0.499 0.521 -5.741 1.00 1.14 H new ATOM 0 HG23 ILE A 51 -2.004 -0.318 -5.295 1.00 1.14 H new ATOM 0 HD11 ILE A 51 -3.449 1.276 -1.849 1.00 41.44 H new ATOM 0 HD12 ILE A 51 -2.045 2.226 -2.392 1.00 41.44 H new ATOM 0 HD13 ILE A 51 -3.139 1.492 -3.588 1.00 41.44 H new ATOM 840 N ASP A 52 0.887 -1.507 -5.873 1.00 41.31 N ATOM 841 CA ASP A 52 1.827 -1.474 -6.955 1.00 63.25 C ATOM 842 C ASP A 52 1.918 -0.067 -7.534 1.00 44.52 C ATOM 843 O ASP A 52 0.896 0.534 -7.897 1.00 42.43 O ATOM 844 CB ASP A 52 1.380 -2.459 -8.009 1.00 55.35 C ATOM 845 CG ASP A 52 2.268 -2.500 -9.219 1.00 32.11 C ATOM 846 OD1 ASP A 52 3.243 -3.269 -9.223 1.00 23.45 O ATOM 847 OD2 ASP A 52 1.985 -1.785 -10.200 1.00 21.43 O ATOM 0 H ASP A 52 -0.027 -1.871 -6.141 1.00 41.31 H new ATOM 0 HA ASP A 52 2.819 -1.750 -6.596 1.00 63.25 H new ATOM 0 HB2 ASP A 52 1.338 -3.455 -7.567 1.00 55.35 H new ATOM 0 HB3 ASP A 52 0.367 -2.206 -8.322 1.00 55.35 H new ATOM 852 N PRO A 53 3.144 0.471 -7.645 1.00 51.42 N ATOM 853 CA PRO A 53 3.387 1.845 -8.118 1.00 41.44 C ATOM 854 C PRO A 53 3.025 2.081 -9.593 1.00 62.12 C ATOM 855 O PRO A 53 3.099 3.209 -10.083 1.00 52.13 O ATOM 856 CB PRO A 53 4.893 2.034 -7.911 1.00 63.00 C ATOM 857 CG PRO A 53 5.451 0.656 -7.919 1.00 65.12 C ATOM 858 CD PRO A 53 4.407 -0.214 -7.294 1.00 15.25 C ATOM 0 HA PRO A 53 2.759 2.552 -7.575 1.00 41.44 H new ATOM 0 HB2 PRO A 53 5.328 2.642 -8.704 1.00 63.00 H new ATOM 0 HB3 PRO A 53 5.103 2.541 -6.969 1.00 63.00 H new ATOM 0 HG2 PRO A 53 5.673 0.331 -8.935 1.00 65.12 H new ATOM 0 HG3 PRO A 53 6.385 0.610 -7.358 1.00 65.12 H new ATOM 0 HD2 PRO A 53 4.438 -1.229 -7.690 1.00 15.25 H new ATOM 0 HD3 PRO A 53 4.538 -0.289 -6.215 1.00 15.25 H new ATOM 866 N LYS A 54 2.634 1.042 -10.292 1.00 65.04 N ATOM 867 CA LYS A 54 2.317 1.166 -11.695 1.00 64.33 C ATOM 868 C LYS A 54 0.819 1.280 -11.926 1.00 62.45 C ATOM 869 O LYS A 54 0.360 1.341 -13.072 1.00 63.43 O ATOM 870 CB LYS A 54 2.912 0.014 -12.470 1.00 5.24 C ATOM 871 CG LYS A 54 4.429 -0.056 -12.353 1.00 74.04 C ATOM 872 CD LYS A 54 5.038 -1.303 -12.991 1.00 23.23 C ATOM 873 CE LYS A 54 4.738 -2.600 -12.213 1.00 71.14 C ATOM 874 NZ LYS A 54 3.319 -3.015 -12.223 1.00 33.21 N ATOM 0 H LYS A 54 2.528 0.101 -9.912 1.00 65.04 H new ATOM 0 HA LYS A 54 2.762 2.091 -12.062 1.00 64.33 H new ATOM 0 HB2 LYS A 54 2.481 -0.921 -12.111 1.00 5.24 H new ATOM 0 HB3 LYS A 54 2.637 0.109 -13.521 1.00 5.24 H new ATOM 0 HG2 LYS A 54 4.862 0.828 -12.821 1.00 74.04 H new ATOM 0 HG3 LYS A 54 4.705 -0.027 -11.299 1.00 74.04 H new ATOM 0 HD2 LYS A 54 4.659 -1.403 -14.008 1.00 23.23 H new ATOM 0 HD3 LYS A 54 6.118 -1.174 -13.064 1.00 23.23 H new ATOM 0 HE2 LYS A 54 5.341 -3.406 -12.632 1.00 71.14 H new ATOM 0 HE3 LYS A 54 5.056 -2.469 -11.179 1.00 71.14 H new ATOM 0 HZ1 LYS A 54 3.253 -4.030 -12.005 1.00 33.21 H new ATOM 0 HZ2 LYS A 54 2.794 -2.472 -11.508 1.00 33.21 H new ATOM 0 HZ3 LYS A 54 2.911 -2.835 -13.163 1.00 33.21 H new ATOM 888 N LEU A 55 0.044 1.285 -10.845 1.00 23.32 N ATOM 889 CA LEU A 55 -1.373 1.558 -10.956 1.00 33.13 C ATOM 890 C LEU A 55 -1.585 2.971 -11.446 1.00 53.42 C ATOM 891 O LEU A 55 -0.863 3.890 -11.057 1.00 31.35 O ATOM 892 CB LEU A 55 -2.085 1.350 -9.638 1.00 3.10 C ATOM 893 CG LEU A 55 -2.432 -0.083 -9.238 1.00 13.32 C ATOM 894 CD1 LEU A 55 -3.046 -0.092 -7.860 1.00 43.10 C ATOM 895 CD2 LEU A 55 -3.428 -0.674 -10.220 1.00 71.21 C ATOM 0 H LEU A 55 0.374 1.105 -9.897 1.00 23.32 H new ATOM 0 HA LEU A 55 -1.797 0.856 -11.674 1.00 33.13 H new ATOM 0 HB2 LEU A 55 -1.465 1.777 -8.850 1.00 3.10 H new ATOM 0 HB3 LEU A 55 -3.011 1.925 -9.662 1.00 3.10 H new ATOM 0 HG LEU A 55 -1.518 -0.677 -9.243 1.00 13.32 H new ATOM 0 HD11 LEU A 55 -3.292 -1.116 -7.578 1.00 43.10 H new ATOM 0 HD12 LEU A 55 -2.337 0.321 -7.143 1.00 43.10 H new ATOM 0 HD13 LEU A 55 -3.953 0.512 -7.862 1.00 43.10 H new ATOM 0 HD21 LEU A 55 -3.668 -1.695 -9.925 1.00 71.21 H new ATOM 0 HD22 LEU A 55 -4.338 -0.074 -10.221 1.00 71.21 H new ATOM 0 HD23 LEU A 55 -2.994 -0.678 -11.220 1.00 71.21 H new ATOM 907 N LYS A 56 -2.572 3.149 -12.270 1.00 23.11 N ATOM 908 CA LYS A 56 -2.818 4.435 -12.888 1.00 31.44 C ATOM 909 C LYS A 56 -3.361 5.457 -11.919 1.00 53.31 C ATOM 910 O LYS A 56 -3.001 6.629 -12.002 1.00 71.14 O ATOM 911 CB LYS A 56 -3.674 4.319 -14.144 1.00 1.11 C ATOM 912 CG LYS A 56 -2.994 3.525 -15.239 1.00 21.54 C ATOM 913 CD LYS A 56 -3.826 3.464 -16.499 1.00 24.25 C ATOM 914 CE LYS A 56 -3.081 2.706 -17.578 1.00 5.41 C ATOM 915 NZ LYS A 56 -3.821 2.659 -18.855 1.00 35.01 N ATOM 0 H LYS A 56 -3.231 2.418 -12.538 1.00 23.11 H new ATOM 0 HA LYS A 56 -1.844 4.807 -13.205 1.00 31.44 H new ATOM 0 HB2 LYS A 56 -4.622 3.844 -13.891 1.00 1.11 H new ATOM 0 HB3 LYS A 56 -3.906 5.317 -14.515 1.00 1.11 H new ATOM 0 HG2 LYS A 56 -2.027 3.975 -15.465 1.00 21.54 H new ATOM 0 HG3 LYS A 56 -2.799 2.513 -14.884 1.00 21.54 H new ATOM 0 HD2 LYS A 56 -4.778 2.976 -16.292 1.00 24.25 H new ATOM 0 HD3 LYS A 56 -4.053 4.473 -16.843 1.00 24.25 H new ATOM 0 HE2 LYS A 56 -2.111 3.175 -17.742 1.00 5.41 H new ATOM 0 HE3 LYS A 56 -2.890 1.689 -17.236 1.00 5.41 H new ATOM 0 HZ1 LYS A 56 -3.267 2.129 -19.558 1.00 35.01 H new ATOM 0 HZ2 LYS A 56 -4.736 2.187 -18.709 1.00 35.01 H new ATOM 0 HZ3 LYS A 56 -3.982 3.627 -19.199 1.00 35.01 H new ATOM 929 N TRP A 57 -4.194 5.030 -10.970 1.00 52.13 N ATOM 930 CA TRP A 57 -4.685 5.976 -9.978 1.00 74.51 C ATOM 931 C TRP A 57 -3.533 6.367 -9.049 1.00 5.45 C ATOM 932 O TRP A 57 -3.495 7.468 -8.481 1.00 63.32 O ATOM 933 CB TRP A 57 -5.917 5.452 -9.194 1.00 4.04 C ATOM 934 CG TRP A 57 -5.696 4.306 -8.239 1.00 54.15 C ATOM 935 CD1 TRP A 57 -5.805 2.971 -8.494 1.00 63.21 C ATOM 936 CD2 TRP A 57 -5.370 4.414 -6.851 1.00 74.22 C ATOM 937 NE1 TRP A 57 -5.566 2.259 -7.359 1.00 63.43 N ATOM 938 CE2 TRP A 57 -5.297 3.114 -6.339 1.00 15.31 C ATOM 939 CE3 TRP A 57 -5.135 5.485 -5.997 1.00 54.44 C ATOM 940 CZ2 TRP A 57 -4.997 2.856 -5.015 1.00 5.54 C ATOM 941 CZ3 TRP A 57 -4.838 5.229 -4.678 1.00 1.22 C ATOM 942 CH2 TRP A 57 -4.775 3.923 -4.198 1.00 1.24 C ATOM 0 H TRP A 57 -4.531 4.072 -10.870 1.00 52.13 H new ATOM 0 HA TRP A 57 -5.043 6.863 -10.500 1.00 74.51 H new ATOM 0 HB2 TRP A 57 -6.336 6.285 -8.629 1.00 4.04 H new ATOM 0 HB3 TRP A 57 -6.672 5.146 -9.918 1.00 4.04 H new ATOM 0 HD1 TRP A 57 -6.046 2.542 -9.455 1.00 63.21 H new ATOM 0 HE1 TRP A 57 -5.586 1.242 -7.286 1.00 63.43 H new ATOM 0 HE3 TRP A 57 -5.185 6.500 -6.362 1.00 54.44 H new ATOM 0 HZ2 TRP A 57 -4.941 1.844 -4.641 1.00 5.54 H new ATOM 0 HZ3 TRP A 57 -4.651 6.053 -4.005 1.00 1.22 H new ATOM 0 HH2 TRP A 57 -4.545 3.753 -3.156 1.00 1.24 H new ATOM 953 N ILE A 58 -2.581 5.458 -8.938 1.00 51.24 N ATOM 954 CA ILE A 58 -1.363 5.681 -8.206 1.00 65.34 C ATOM 955 C ILE A 58 -0.502 6.701 -8.935 1.00 50.11 C ATOM 956 O ILE A 58 0.038 7.605 -8.324 1.00 11.31 O ATOM 957 CB ILE A 58 -0.596 4.348 -7.985 1.00 52.14 C ATOM 958 CG1 ILE A 58 -1.328 3.461 -6.980 1.00 4.03 C ATOM 959 CG2 ILE A 58 0.840 4.562 -7.580 1.00 43.05 C ATOM 960 CD1 ILE A 58 -1.455 4.080 -5.601 1.00 74.41 C ATOM 0 H ILE A 58 -2.640 4.533 -9.363 1.00 51.24 H new ATOM 0 HA ILE A 58 -1.611 6.079 -7.222 1.00 65.34 H new ATOM 0 HB ILE A 58 -0.571 3.834 -8.946 1.00 52.14 H new ATOM 0 HG12 ILE A 58 -2.324 3.239 -7.362 1.00 4.03 H new ATOM 0 HG13 ILE A 58 -0.800 2.511 -6.895 1.00 4.03 H new ATOM 0 HG21 ILE A 58 1.326 3.597 -7.440 1.00 43.05 H new ATOM 0 HG22 ILE A 58 1.359 5.119 -8.360 1.00 43.05 H new ATOM 0 HG23 ILE A 58 0.875 5.125 -6.647 1.00 43.05 H new ATOM 0 HD11 ILE A 58 -1.985 3.393 -4.941 1.00 74.41 H new ATOM 0 HD12 ILE A 58 -0.462 4.276 -5.197 1.00 74.41 H new ATOM 0 HD13 ILE A 58 -2.009 5.016 -5.672 1.00 74.41 H new ATOM 972 N GLN A 59 -0.412 6.564 -10.249 1.00 61.35 N ATOM 973 CA GLN A 59 0.305 7.526 -11.075 1.00 45.45 C ATOM 974 C GLN A 59 -0.244 8.922 -10.866 1.00 64.43 C ATOM 975 O GLN A 59 0.518 9.886 -10.776 1.00 10.03 O ATOM 976 CB GLN A 59 0.226 7.154 -12.545 1.00 11.31 C ATOM 977 CG GLN A 59 0.992 5.897 -12.921 1.00 30.54 C ATOM 978 CD GLN A 59 2.483 6.064 -12.714 1.00 5.12 C ATOM 979 OE1 GLN A 59 3.192 6.495 -13.610 1.00 42.00 O ATOM 980 NE2 GLN A 59 2.967 5.717 -11.548 1.00 45.34 N ATOM 0 H GLN A 59 -0.829 5.792 -10.769 1.00 61.35 H new ATOM 0 HA GLN A 59 1.352 7.507 -10.771 1.00 45.45 H new ATOM 0 HB2 GLN A 59 -0.821 7.021 -12.817 1.00 11.31 H new ATOM 0 HB3 GLN A 59 0.606 7.986 -13.138 1.00 11.31 H new ATOM 0 HG2 GLN A 59 0.633 5.060 -12.322 1.00 30.54 H new ATOM 0 HG3 GLN A 59 0.795 5.650 -13.964 1.00 30.54 H new ATOM 0 HE21 GLN A 59 2.344 5.361 -10.823 1.00 45.34 H new ATOM 0 HE22 GLN A 59 3.967 5.803 -11.365 1.00 45.34 H new ATOM 989 N GLU A 60 -1.568 9.021 -10.765 1.00 10.30 N ATOM 990 CA GLU A 60 -2.228 10.293 -10.511 1.00 13.25 C ATOM 991 C GLU A 60 -1.825 10.806 -9.140 1.00 61.45 C ATOM 992 O GLU A 60 -1.472 11.972 -8.986 1.00 25.01 O ATOM 993 CB GLU A 60 -3.751 10.148 -10.554 1.00 24.21 C ATOM 994 CG GLU A 60 -4.286 9.521 -11.817 1.00 41.43 C ATOM 995 CD GLU A 60 -5.792 9.492 -11.862 1.00 32.22 C ATOM 996 OE1 GLU A 60 -6.430 9.050 -10.875 1.00 4.21 O ATOM 997 OE2 GLU A 60 -6.363 9.927 -12.892 1.00 73.34 O ATOM 0 H GLU A 60 -2.205 8.229 -10.856 1.00 10.30 H new ATOM 0 HA GLU A 60 -1.922 10.993 -11.288 1.00 13.25 H new ATOM 0 HB2 GLU A 60 -4.070 9.547 -9.702 1.00 24.21 H new ATOM 0 HB3 GLU A 60 -4.200 11.134 -10.435 1.00 24.21 H new ATOM 0 HG2 GLU A 60 -3.912 10.074 -12.678 1.00 41.43 H new ATOM 0 HG3 GLU A 60 -3.905 8.503 -11.902 1.00 41.43 H new ATOM 1004 N TYR A 61 -1.868 9.908 -8.153 1.00 72.20 N ATOM 1005 CA TYR A 61 -1.521 10.224 -6.770 1.00 61.44 C ATOM 1006 C TYR A 61 -0.074 10.740 -6.671 1.00 62.14 C ATOM 1007 O TYR A 61 0.179 11.773 -6.049 1.00 10.32 O ATOM 1008 CB TYR A 61 -1.732 8.979 -5.866 1.00 42.31 C ATOM 1009 CG TYR A 61 -1.502 9.224 -4.382 1.00 75.41 C ATOM 1010 CD1 TYR A 61 -2.483 9.825 -3.610 1.00 2.43 C ATOM 1011 CD2 TYR A 61 -0.314 8.854 -3.754 1.00 73.53 C ATOM 1012 CE1 TYR A 61 -2.296 10.063 -2.264 1.00 2.11 C ATOM 1013 CE2 TYR A 61 -0.121 9.085 -2.405 1.00 34.44 C ATOM 1014 CZ TYR A 61 -1.116 9.694 -1.667 1.00 15.13 C ATOM 1015 OH TYR A 61 -0.926 9.935 -0.322 1.00 24.04 O ATOM 0 H TYR A 61 -2.146 8.937 -8.294 1.00 72.20 H new ATOM 0 HA TYR A 61 -2.180 11.019 -6.420 1.00 61.44 H new ATOM 0 HB2 TYR A 61 -2.749 8.613 -6.007 1.00 42.31 H new ATOM 0 HB3 TYR A 61 -1.060 8.188 -6.198 1.00 42.31 H new ATOM 0 HD1 TYR A 61 -3.415 10.114 -4.072 1.00 2.43 H new ATOM 0 HD2 TYR A 61 0.467 8.380 -4.330 1.00 73.53 H new ATOM 0 HE1 TYR A 61 -3.073 10.537 -1.683 1.00 2.11 H new ATOM 0 HE2 TYR A 61 0.804 8.791 -1.931 1.00 34.44 H new ATOM 0 HH TYR A 61 -0.040 9.613 -0.054 1.00 24.04 H new ATOM 1025 N LEU A 62 0.853 10.040 -7.312 1.00 55.21 N ATOM 1026 CA LEU A 62 2.267 10.431 -7.301 1.00 60.33 C ATOM 1027 C LEU A 62 2.517 11.720 -8.063 1.00 74.44 C ATOM 1028 O LEU A 62 3.344 12.540 -7.651 1.00 44.43 O ATOM 1029 CB LEU A 62 3.191 9.312 -7.817 1.00 14.02 C ATOM 1030 CG LEU A 62 3.558 8.188 -6.824 1.00 72.41 C ATOM 1031 CD1 LEU A 62 2.354 7.439 -6.321 1.00 61.51 C ATOM 1032 CD2 LEU A 62 4.556 7.245 -7.450 1.00 51.12 C ATOM 0 H LEU A 62 0.656 9.196 -7.849 1.00 55.21 H new ATOM 0 HA LEU A 62 2.514 10.609 -6.254 1.00 60.33 H new ATOM 0 HB2 LEU A 62 2.716 8.855 -8.685 1.00 14.02 H new ATOM 0 HB3 LEU A 62 4.116 9.771 -8.165 1.00 14.02 H new ATOM 0 HG LEU A 62 4.011 8.663 -5.954 1.00 72.41 H new ATOM 0 HD11 LEU A 62 2.673 6.661 -5.627 1.00 61.51 H new ATOM 0 HD12 LEU A 62 1.684 8.129 -5.809 1.00 61.51 H new ATOM 0 HD13 LEU A 62 1.832 6.983 -7.162 1.00 61.51 H new ATOM 0 HD21 LEU A 62 4.807 6.457 -6.740 1.00 51.12 H new ATOM 0 HD22 LEU A 62 4.124 6.801 -8.347 1.00 51.12 H new ATOM 0 HD23 LEU A 62 5.459 7.795 -7.716 1.00 51.12 H new ATOM 1044 N GLU A 63 1.792 11.905 -9.149 1.00 73.04 N ATOM 1045 CA GLU A 63 1.922 13.075 -9.982 1.00 1.32 C ATOM 1046 C GLU A 63 1.472 14.283 -9.200 1.00 4.34 C ATOM 1047 O GLU A 63 2.172 15.283 -9.120 1.00 1.21 O ATOM 1048 CB GLU A 63 1.056 12.906 -11.218 1.00 51.22 C ATOM 1049 CG GLU A 63 1.127 14.044 -12.182 1.00 72.22 C ATOM 1050 CD GLU A 63 0.200 13.858 -13.338 1.00 1.33 C ATOM 1051 OE1 GLU A 63 -0.968 14.297 -13.246 1.00 30.42 O ATOM 1052 OE2 GLU A 63 0.607 13.257 -14.347 1.00 2.15 O ATOM 0 H GLU A 63 1.092 11.240 -9.477 1.00 73.04 H new ATOM 0 HA GLU A 63 2.960 13.206 -10.288 1.00 1.32 H new ATOM 0 HB2 GLU A 63 1.352 11.992 -11.732 1.00 51.22 H new ATOM 0 HB3 GLU A 63 0.020 12.775 -10.906 1.00 51.22 H new ATOM 0 HG2 GLU A 63 0.881 14.972 -11.666 1.00 72.22 H new ATOM 0 HG3 GLU A 63 2.148 14.145 -12.549 1.00 72.22 H new ATOM 1059 N LYS A 64 0.305 14.146 -8.607 1.00 35.10 N ATOM 1060 CA LYS A 64 -0.305 15.141 -7.756 1.00 34.55 C ATOM 1061 C LYS A 64 0.651 15.543 -6.654 1.00 21.34 C ATOM 1062 O LYS A 64 1.062 16.687 -6.559 1.00 32.13 O ATOM 1063 CB LYS A 64 -1.507 14.504 -7.108 1.00 41.23 C ATOM 1064 CG LYS A 64 -2.192 15.352 -6.084 1.00 23.52 C ATOM 1065 CD LYS A 64 -3.085 16.444 -6.690 1.00 25.15 C ATOM 1066 CE LYS A 64 -4.188 15.852 -7.563 1.00 71.22 C ATOM 1067 NZ LYS A 64 -5.161 16.872 -8.021 1.00 65.44 N ATOM 0 H LYS A 64 -0.265 13.306 -8.709 1.00 35.10 H new ATOM 0 HA LYS A 64 -0.571 16.018 -8.346 1.00 34.55 H new ATOM 0 HB2 LYS A 64 -2.226 14.245 -7.885 1.00 41.23 H new ATOM 0 HB3 LYS A 64 -1.197 13.571 -6.638 1.00 41.23 H new ATOM 0 HG2 LYS A 64 -2.798 14.713 -5.442 1.00 23.52 H new ATOM 0 HG3 LYS A 64 -1.440 15.820 -5.449 1.00 23.52 H new ATOM 0 HD2 LYS A 64 -3.532 17.034 -5.890 1.00 25.15 H new ATOM 0 HD3 LYS A 64 -2.475 17.124 -7.285 1.00 25.15 H new ATOM 0 HE2 LYS A 64 -3.739 15.368 -8.430 1.00 71.22 H new ATOM 0 HE3 LYS A 64 -4.714 15.079 -7.003 1.00 71.22 H new ATOM 0 HZ1 LYS A 64 -5.888 16.418 -8.610 1.00 65.44 H new ATOM 0 HZ2 LYS A 64 -5.611 17.317 -7.196 1.00 65.44 H new ATOM 0 HZ3 LYS A 64 -4.667 17.597 -8.579 1.00 65.44 H new ATOM 1081 N ALA A 65 0.988 14.565 -5.835 1.00 43.35 N ATOM 1082 CA ALA A 65 1.898 14.736 -4.693 1.00 72.34 C ATOM 1083 C ALA A 65 3.265 15.325 -5.084 1.00 10.25 C ATOM 1084 O ALA A 65 3.895 16.016 -4.281 1.00 1.13 O ATOM 1085 CB ALA A 65 2.091 13.410 -3.977 1.00 64.44 C ATOM 0 H ALA A 65 0.638 13.612 -5.936 1.00 43.35 H new ATOM 0 HA ALA A 65 1.426 15.458 -4.027 1.00 72.34 H new ATOM 0 HB1 ALA A 65 2.767 13.547 -3.133 1.00 64.44 H new ATOM 0 HB2 ALA A 65 1.128 13.048 -3.616 1.00 64.44 H new ATOM 0 HB3 ALA A 65 2.517 12.682 -4.668 1.00 64.44 H new ATOM 1091 N LEU A 66 3.732 15.045 -6.284 1.00 21.15 N ATOM 1092 CA LEU A 66 4.993 15.584 -6.748 1.00 52.22 C ATOM 1093 C LEU A 66 4.813 17.024 -7.245 1.00 74.24 C ATOM 1094 O LEU A 66 5.666 17.890 -7.016 1.00 23.43 O ATOM 1095 CB LEU A 66 5.543 14.704 -7.869 1.00 62.55 C ATOM 1096 CG LEU A 66 6.879 15.116 -8.454 1.00 40.41 C ATOM 1097 CD1 LEU A 66 7.973 15.068 -7.398 1.00 61.34 C ATOM 1098 CD2 LEU A 66 7.239 14.252 -9.649 1.00 23.10 C ATOM 0 H LEU A 66 3.255 14.445 -6.957 1.00 21.15 H new ATOM 0 HA LEU A 66 5.700 15.595 -5.918 1.00 52.22 H new ATOM 0 HB2 LEU A 66 5.635 13.686 -7.491 1.00 62.55 H new ATOM 0 HB3 LEU A 66 4.810 14.679 -8.675 1.00 62.55 H new ATOM 0 HG LEU A 66 6.791 16.146 -8.800 1.00 40.41 H new ATOM 0 HD11 LEU A 66 8.922 15.368 -7.843 1.00 61.34 H new ATOM 0 HD12 LEU A 66 7.723 15.748 -6.584 1.00 61.34 H new ATOM 0 HD13 LEU A 66 8.059 14.053 -7.009 1.00 61.34 H new ATOM 0 HD21 LEU A 66 8.202 14.568 -10.050 1.00 23.10 H new ATOM 0 HD22 LEU A 66 7.300 13.209 -9.339 1.00 23.10 H new ATOM 0 HD23 LEU A 66 6.474 14.357 -10.418 1.00 23.10 H new ATOM 1110 N ASN A 67 3.708 17.259 -7.916 1.00 43.11 N ATOM 1111 CA ASN A 67 3.389 18.562 -8.485 1.00 30.30 C ATOM 1112 C ASN A 67 3.023 19.566 -7.402 1.00 44.41 C ATOM 1113 O ASN A 67 3.567 20.682 -7.356 1.00 15.02 O ATOM 1114 CB ASN A 67 2.225 18.430 -9.486 1.00 30.04 C ATOM 1115 CG ASN A 67 1.810 19.755 -10.106 1.00 41.41 C ATOM 1116 OD1 ASN A 67 0.950 20.467 -9.574 1.00 12.43 O ATOM 1117 ND2 ASN A 67 2.389 20.079 -11.232 1.00 21.43 N ATOM 0 H ASN A 67 2.995 16.550 -8.087 1.00 43.11 H new ATOM 0 HA ASN A 67 4.276 18.927 -9.002 1.00 30.30 H new ATOM 0 HB2 ASN A 67 2.514 17.741 -10.279 1.00 30.04 H new ATOM 0 HB3 ASN A 67 1.367 17.990 -8.978 1.00 30.04 H new ATOM 0 HD21 ASN A 67 2.136 20.947 -11.704 1.00 21.43 H new ATOM 0 HD22 ASN A 67 3.094 19.464 -11.638 1.00 21.43 H new ATOM 1124 N LYS A 68 2.135 19.175 -6.531 1.00 4.42 N ATOM 1125 CA LYS A 68 1.651 20.041 -5.505 1.00 4.12 C ATOM 1126 C LYS A 68 1.945 19.439 -4.145 1.00 24.31 C ATOM 1127 O LYS A 68 1.155 18.595 -3.654 1.00 37.62 O ATOM 1128 CB LYS A 68 0.160 20.295 -5.691 1.00 13.40 C ATOM 1129 CG LYS A 68 -0.423 21.313 -4.738 1.00 62.34 C ATOM 1130 CD LYS A 68 -1.896 21.511 -5.001 1.00 11.41 C ATOM 1131 CE LYS A 68 -2.487 22.570 -4.092 1.00 2.33 C ATOM 1132 NZ LYS A 68 -1.839 23.886 -4.279 1.00 74.32 N ATOM 1133 OXT LYS A 68 2.981 19.807 -3.564 1.00 37.62 O ATOM 0 H LYS A 68 1.727 18.240 -6.517 1.00 4.42 H new ATOM 0 HA LYS A 68 2.162 21.002 -5.569 1.00 4.12 H new ATOM 0 HB2 LYS A 68 -0.014 20.631 -6.713 1.00 13.40 H new ATOM 0 HB3 LYS A 68 -0.375 19.353 -5.569 1.00 13.40 H new ATOM 0 HG2 LYS A 68 -0.274 20.983 -3.710 1.00 62.34 H new ATOM 0 HG3 LYS A 68 0.101 22.262 -4.847 1.00 62.34 H new ATOM 0 HD2 LYS A 68 -2.045 21.799 -6.042 1.00 11.41 H new ATOM 0 HD3 LYS A 68 -2.423 20.568 -4.853 1.00 11.41 H new ATOM 0 HE2 LYS A 68 -3.555 22.661 -4.288 1.00 2.33 H new ATOM 0 HE3 LYS A 68 -2.379 22.257 -3.053 1.00 2.33 H new ATOM 0 HZ1 LYS A 68 -2.423 24.626 -3.841 1.00 74.32 H new ATOM 0 HZ2 LYS A 68 -0.900 23.877 -3.833 1.00 74.32 H new ATOM 0 HZ3 LYS A 68 -1.738 24.082 -5.295 1.00 74.32 H new TER 1147 LYS A 68