USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1048 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 125 ASN : amide:sc= -0.415 K(o=-0.74,f=-4.2!) USER MOD Set 1.2: A 127 GLN : amide:sc= -0.325 X(o=-0.74,f=-0.44) USER MOD Set 2.1: A 65 GLN : amide:sc= -0.966 K(o=-1.9,f=-4.5) USER MOD Set 2.2: A 108 GLN : amide:sc= -0.966 K(o=-1.9,f=-3.1) USER MOD Set 3.1: A 29 TYR OH : rot 30:sc= 0.19 USER MOD Set 3.2: A 97 THR OG1 : rot -105:sc= -0.18 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.162 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00369) USER MOD Single : A 26 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 28 GLN : amide:sc= -1.41! C(o=-1.4!,f=-4.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.57! C(o=-4.6!,f=-13!) USER MOD Single : A 38 SER OG : rot 180:sc= -1.54 USER MOD Single : A 47 ASN : amide:sc= -0.0678 X(o=-0.068,f=-0.068) USER MOD Single : A 53 THR OG1 : rot -151:sc= 0.513 USER MOD Single : A 54 SER OG : rot 180:sc= -0.327 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.362 USER MOD Single : A 59 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.59) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.682 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 81 THR OG1 : rot 76:sc= 0.832 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : +bothHN:sc= -0.637 K(o=-0.64,f=-5.8!) USER MOD Single : A 90 GLN : amide:sc= -0.0148 K(o=-0.015,f=-0.87) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 159:sc= -0.0922 (180deg=-0.52) USER MOD Single : A 109 ASN : amide:sc= -0.553 K(o=-0.55,f=-2!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 82:sc= 0.247 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 152:sc= 0.0208 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.42) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.1!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 12.231 -4.876 -10.727 1.00 13.00 N ATOM 2 CA GLY A 2 12.820 -4.785 -9.405 1.00 45.03 C ATOM 3 C GLY A 2 12.191 -3.694 -8.563 1.00 60.15 C ATOM 4 O GLY A 2 11.635 -3.965 -7.498 1.00 71.41 O ATOM 0 HA2 GLY A 2 12.710 -5.742 -8.895 1.00 45.03 H new ATOM 0 HA3 GLY A 2 13.889 -4.596 -9.499 1.00 45.03 H new ATOM 8 N ALA A 3 12.279 -2.456 -9.038 1.00 1.21 N ATOM 9 CA ALA A 3 11.713 -1.319 -8.322 1.00 3.51 C ATOM 10 C ALA A 3 10.253 -1.569 -7.963 1.00 74.23 C ATOM 11 O ALA A 3 9.472 -2.036 -8.792 1.00 33.11 O ATOM 12 CB ALA A 3 11.846 -0.052 -9.153 1.00 52.21 C ATOM 0 H ALA A 3 12.737 -2.215 -9.917 1.00 1.21 H new ATOM 0 HA ALA A 3 12.271 -1.191 -7.394 1.00 3.51 H new ATOM 0 HB1 ALA A 3 11.419 0.789 -8.606 1.00 52.21 H new ATOM 0 HB2 ALA A 3 12.900 0.143 -9.353 1.00 52.21 H new ATOM 0 HB3 ALA A 3 11.315 -0.178 -10.096 1.00 52.21 H new ATOM 18 N ARG A 4 9.890 -1.255 -6.724 1.00 41.12 N ATOM 19 CA ARG A 4 8.523 -1.448 -6.256 1.00 75.33 C ATOM 20 C ARG A 4 7.893 -0.117 -5.855 1.00 70.21 C ATOM 21 O ARG A 4 6.776 0.200 -6.261 1.00 1.03 O ATOM 22 CB ARG A 4 8.498 -2.414 -5.069 1.00 21.24 C ATOM 23 CG ARG A 4 8.841 -3.846 -5.444 1.00 72.10 C ATOM 24 CD ARG A 4 8.195 -4.841 -4.491 1.00 65.42 C ATOM 25 NE ARG A 4 8.956 -6.084 -4.400 1.00 42.10 N ATOM 26 CZ ARG A 4 8.760 -6.998 -3.456 1.00 5.01 C ATOM 27 NH1 ARG A 4 7.833 -6.808 -2.527 1.00 5.44 N ATOM 28 NH2 ARG A 4 9.493 -8.105 -3.441 1.00 74.24 N ATOM 0 H ARG A 4 10.524 -0.866 -6.026 1.00 41.12 H new ATOM 0 HA ARG A 4 7.943 -1.874 -7.074 1.00 75.33 H new ATOM 0 HB2 ARG A 4 9.202 -2.066 -4.313 1.00 21.24 H new ATOM 0 HB3 ARG A 4 7.507 -2.393 -4.615 1.00 21.24 H new ATOM 0 HG2 ARG A 4 8.508 -4.047 -6.462 1.00 72.10 H new ATOM 0 HG3 ARG A 4 9.923 -3.978 -5.431 1.00 72.10 H new ATOM 0 HD2 ARG A 4 8.112 -4.393 -3.501 1.00 65.42 H new ATOM 0 HD3 ARG A 4 7.182 -5.060 -4.828 1.00 65.42 H new ATOM 0 HE ARG A 4 9.677 -6.260 -5.099 1.00 42.10 H new ATOM 0 HH11 ARG A 4 7.268 -5.959 -2.536 1.00 5.44 H new ATOM 0 HH12 ARG A 4 7.685 -7.511 -1.803 1.00 5.44 H new ATOM 0 HH21 ARG A 4 10.207 -8.254 -4.154 1.00 74.24 H new ATOM 0 HH22 ARG A 4 9.342 -8.807 -2.716 1.00 74.24 H new ATOM 42 N ALA A 5 8.619 0.658 -5.054 1.00 55.31 N ATOM 43 CA ALA A 5 8.133 1.954 -4.599 1.00 33.22 C ATOM 44 C ALA A 5 8.940 3.091 -5.217 1.00 72.20 C ATOM 45 O ALA A 5 8.658 4.266 -4.980 1.00 52.54 O ATOM 46 CB ALA A 5 8.182 2.034 -3.081 1.00 54.23 C ATOM 0 H ALA A 5 9.546 0.410 -4.707 1.00 55.31 H new ATOM 0 HA ALA A 5 7.098 2.060 -4.924 1.00 33.22 H new ATOM 0 HB1 ALA A 5 7.816 3.008 -2.756 1.00 54.23 H new ATOM 0 HB2 ALA A 5 7.556 1.250 -2.655 1.00 54.23 H new ATOM 0 HB3 ALA A 5 9.210 1.901 -2.743 1.00 54.23 H new ATOM 52 N SER A 6 9.945 2.733 -6.010 1.00 71.31 N ATOM 53 CA SER A 6 10.797 3.725 -6.658 1.00 12.52 C ATOM 54 C SER A 6 10.095 4.338 -7.866 1.00 52.53 C ATOM 55 O SER A 6 9.956 3.699 -8.909 1.00 43.00 O ATOM 56 CB SER A 6 12.118 3.087 -7.091 1.00 3.24 C ATOM 57 OG SER A 6 13.066 3.112 -6.039 1.00 44.33 O ATOM 0 H SER A 6 10.189 1.765 -6.219 1.00 71.31 H new ATOM 0 HA SER A 6 11.003 4.518 -5.939 1.00 12.52 H new ATOM 0 HB2 SER A 6 11.943 2.057 -7.402 1.00 3.24 H new ATOM 0 HB3 SER A 6 12.516 3.618 -7.956 1.00 3.24 H new ATOM 0 HG SER A 6 13.901 2.697 -6.341 1.00 44.33 H new ATOM 63 N VAL A 7 9.652 5.582 -7.715 1.00 60.21 N ATOM 64 CA VAL A 7 8.965 6.284 -8.793 1.00 73.12 C ATOM 65 C VAL A 7 9.613 7.635 -9.071 1.00 22.30 C ATOM 66 O VAL A 7 10.206 7.845 -10.130 1.00 45.02 O ATOM 67 CB VAL A 7 7.476 6.500 -8.462 1.00 70.22 C ATOM 68 CG1 VAL A 7 6.781 7.251 -9.587 1.00 3.14 C ATOM 69 CG2 VAL A 7 6.790 5.169 -8.195 1.00 64.35 C ATOM 0 H VAL A 7 9.756 6.124 -6.857 1.00 60.21 H new ATOM 0 HA VAL A 7 9.046 5.657 -9.681 1.00 73.12 H new ATOM 0 HB VAL A 7 7.408 7.105 -7.558 1.00 70.22 H new ATOM 0 HG11 VAL A 7 5.730 7.394 -9.334 1.00 3.14 H new ATOM 0 HG12 VAL A 7 7.256 8.222 -9.724 1.00 3.14 H new ATOM 0 HG13 VAL A 7 6.857 6.676 -10.510 1.00 3.14 H new ATOM 0 HG21 VAL A 7 5.739 5.341 -7.963 1.00 64.35 H new ATOM 0 HG22 VAL A 7 6.867 4.536 -9.079 1.00 64.35 H new ATOM 0 HG23 VAL A 7 7.271 4.674 -7.351 1.00 64.35 H new ATOM 79 N LEU A 8 9.498 8.548 -8.113 1.00 24.23 N ATOM 80 CA LEU A 8 10.075 9.882 -8.254 1.00 53.44 C ATOM 81 C LEU A 8 11.365 10.004 -7.449 1.00 75.41 C ATOM 82 O LEU A 8 11.472 9.472 -6.344 1.00 14.53 O ATOM 83 CB LEU A 8 9.073 10.943 -7.798 1.00 74.15 C ATOM 84 CG LEU A 8 7.889 11.195 -8.733 1.00 22.34 C ATOM 85 CD1 LEU A 8 6.850 12.074 -8.055 1.00 22.42 C ATOM 86 CD2 LEU A 8 8.363 11.831 -10.032 1.00 54.00 C ATOM 0 H LEU A 8 9.011 8.390 -7.231 1.00 24.23 H new ATOM 0 HA LEU A 8 10.309 10.041 -9.307 1.00 53.44 H new ATOM 0 HB2 LEU A 8 8.684 10.651 -6.823 1.00 74.15 H new ATOM 0 HB3 LEU A 8 9.607 11.883 -7.660 1.00 74.15 H new ATOM 0 HG LEU A 8 7.425 10.237 -8.968 1.00 22.34 H new ATOM 0 HD11 LEU A 8 6.016 12.242 -8.736 1.00 22.42 H new ATOM 0 HD12 LEU A 8 6.489 11.580 -7.153 1.00 22.42 H new ATOM 0 HD13 LEU A 8 7.300 13.031 -7.790 1.00 22.42 H new ATOM 0 HD21 LEU A 8 7.508 12.004 -10.686 1.00 54.00 H new ATOM 0 HD22 LEU A 8 8.851 12.781 -9.815 1.00 54.00 H new ATOM 0 HD23 LEU A 8 9.069 11.165 -10.527 1.00 54.00 H new ATOM 98 N SER A 9 12.341 10.712 -8.009 1.00 74.13 N ATOM 99 CA SER A 9 13.624 10.904 -7.344 1.00 61.32 C ATOM 100 C SER A 9 13.548 12.046 -6.335 1.00 51.13 C ATOM 101 O SER A 9 12.497 12.659 -6.153 1.00 33.11 O ATOM 102 CB SER A 9 14.718 11.191 -8.374 1.00 62.11 C ATOM 103 OG SER A 9 14.877 12.584 -8.574 1.00 70.42 O ATOM 0 H SER A 9 12.267 11.162 -8.921 1.00 74.13 H new ATOM 0 HA SER A 9 13.869 9.986 -6.810 1.00 61.32 H new ATOM 0 HB2 SER A 9 15.661 10.759 -8.038 1.00 62.11 H new ATOM 0 HB3 SER A 9 14.466 10.711 -9.320 1.00 62.11 H new ATOM 0 HG SER A 9 15.583 12.741 -9.235 1.00 70.42 H new ATOM 109 N GLY A 10 14.671 12.325 -5.681 1.00 61.32 N ATOM 110 CA GLY A 10 14.711 13.393 -4.698 1.00 63.13 C ATOM 111 C GLY A 10 14.239 14.718 -5.262 1.00 64.41 C ATOM 112 O GLY A 10 13.432 15.411 -4.644 1.00 22.32 O ATOM 0 H GLY A 10 15.554 11.831 -5.814 1.00 61.32 H new ATOM 0 HA2 GLY A 10 14.088 13.122 -3.846 1.00 63.13 H new ATOM 0 HA3 GLY A 10 15.730 13.502 -4.326 1.00 63.13 H new ATOM 116 N GLY A 11 14.746 15.073 -6.439 1.00 52.12 N ATOM 117 CA GLY A 11 14.362 16.325 -7.065 1.00 51.04 C ATOM 118 C GLY A 11 12.923 16.315 -7.544 1.00 22.12 C ATOM 119 O GLY A 11 12.188 17.279 -7.336 1.00 71.02 O ATOM 0 H GLY A 11 15.416 14.516 -6.970 1.00 52.12 H new ATOM 0 HA2 GLY A 11 14.500 17.140 -6.355 1.00 51.04 H new ATOM 0 HA3 GLY A 11 15.022 16.523 -7.910 1.00 51.04 H new ATOM 123 N GLU A 12 12.523 15.224 -8.189 1.00 42.21 N ATOM 124 CA GLU A 12 11.164 15.095 -8.701 1.00 52.10 C ATOM 125 C GLU A 12 10.149 15.118 -7.561 1.00 4.11 C ATOM 126 O GLU A 12 9.048 15.652 -7.706 1.00 13.40 O ATOM 127 CB GLU A 12 11.018 13.801 -9.504 1.00 40.43 C ATOM 128 CG GLU A 12 12.139 13.575 -10.503 1.00 4.43 C ATOM 129 CD GLU A 12 11.905 12.358 -11.377 1.00 22.42 C ATOM 130 OE1 GLU A 12 12.107 11.228 -10.887 1.00 41.11 O ATOM 131 OE2 GLU A 12 11.520 12.536 -12.551 1.00 35.15 O ATOM 0 H GLU A 12 13.120 14.417 -8.369 1.00 42.21 H new ATOM 0 HA GLU A 12 10.968 15.944 -9.356 1.00 52.10 H new ATOM 0 HB2 GLU A 12 10.982 12.958 -8.814 1.00 40.43 H new ATOM 0 HB3 GLU A 12 10.067 13.819 -10.036 1.00 40.43 H new ATOM 0 HG2 GLU A 12 12.241 14.457 -11.135 1.00 4.43 H new ATOM 0 HG3 GLU A 12 13.080 13.457 -9.966 1.00 4.43 H new ATOM 138 N LEU A 13 10.527 14.534 -6.429 1.00 73.11 N ATOM 139 CA LEU A 13 9.651 14.486 -5.264 1.00 73.11 C ATOM 140 C LEU A 13 9.173 15.884 -4.884 1.00 73.11 C ATOM 141 O LEU A 13 7.984 16.102 -4.651 1.00 70.41 O ATOM 142 CB LEU A 13 10.376 13.843 -4.081 1.00 23.01 C ATOM 143 CG LEU A 13 9.517 13.528 -2.857 1.00 40.12 C ATOM 144 CD1 LEU A 13 8.502 12.443 -3.181 1.00 35.35 C ATOM 145 CD2 LEU A 13 10.392 13.108 -1.685 1.00 54.24 C ATOM 0 H LEU A 13 11.434 14.087 -6.293 1.00 73.11 H new ATOM 0 HA LEU A 13 8.781 13.882 -5.520 1.00 73.11 H new ATOM 0 HB2 LEU A 13 10.838 12.917 -4.424 1.00 23.01 H new ATOM 0 HB3 LEU A 13 11.184 14.506 -3.772 1.00 23.01 H new ATOM 0 HG LEU A 13 8.975 14.431 -2.576 1.00 40.12 H new ATOM 0 HD11 LEU A 13 7.900 12.232 -2.297 1.00 35.35 H new ATOM 0 HD12 LEU A 13 7.854 12.781 -3.990 1.00 35.35 H new ATOM 0 HD13 LEU A 13 9.024 11.537 -3.489 1.00 35.35 H new ATOM 0 HD21 LEU A 13 9.763 12.888 -0.822 1.00 54.24 H new ATOM 0 HD22 LEU A 13 10.961 12.219 -1.956 1.00 54.24 H new ATOM 0 HD23 LEU A 13 11.079 13.917 -1.436 1.00 54.24 H new ATOM 157 N ASP A 14 10.107 16.826 -4.824 1.00 71.21 N ATOM 158 CA ASP A 14 9.782 18.204 -4.475 1.00 62.40 C ATOM 159 C ASP A 14 8.617 18.717 -5.316 1.00 70.45 C ATOM 160 O ASP A 14 7.601 19.161 -4.782 1.00 34.44 O ATOM 161 CB ASP A 14 11.003 19.104 -4.669 1.00 20.43 C ATOM 162 CG ASP A 14 11.751 19.354 -3.374 1.00 2.05 C ATOM 163 OD1 ASP A 14 11.678 18.493 -2.472 1.00 31.13 O ATOM 164 OD2 ASP A 14 12.410 20.408 -3.265 1.00 41.31 O ATOM 0 H ASP A 14 11.096 16.661 -5.013 1.00 71.21 H new ATOM 0 HA ASP A 14 9.487 18.227 -3.426 1.00 62.40 H new ATOM 0 HB2 ASP A 14 11.678 18.645 -5.392 1.00 20.43 H new ATOM 0 HB3 ASP A 14 10.684 20.057 -5.091 1.00 20.43 H new ATOM 169 N LYS A 15 8.772 18.654 -6.633 1.00 21.22 N ATOM 170 CA LYS A 15 7.735 19.111 -7.550 1.00 52.00 C ATOM 171 C LYS A 15 6.402 18.436 -7.243 1.00 32.03 C ATOM 172 O LYS A 15 5.376 19.102 -7.102 1.00 11.31 O ATOM 173 CB LYS A 15 8.141 18.826 -8.997 1.00 22.51 C ATOM 174 CG LYS A 15 8.534 20.071 -9.775 1.00 61.24 C ATOM 175 CD LYS A 15 10.039 20.281 -9.768 1.00 25.11 C ATOM 176 CE LYS A 15 10.457 21.288 -8.708 1.00 11.02 C ATOM 177 NZ LYS A 15 11.925 21.255 -8.459 1.00 72.34 N ATOM 0 H LYS A 15 9.608 18.290 -7.091 1.00 21.22 H new ATOM 0 HA LYS A 15 7.618 20.187 -7.418 1.00 52.00 H new ATOM 0 HB2 LYS A 15 8.977 18.127 -9.000 1.00 22.51 H new ATOM 0 HB3 LYS A 15 7.313 18.335 -9.508 1.00 22.51 H new ATOM 0 HG2 LYS A 15 8.183 19.985 -10.803 1.00 61.24 H new ATOM 0 HG3 LYS A 15 8.042 20.942 -9.342 1.00 61.24 H new ATOM 0 HD2 LYS A 15 10.539 19.330 -9.585 1.00 25.11 H new ATOM 0 HD3 LYS A 15 10.363 20.628 -10.749 1.00 25.11 H new ATOM 0 HE2 LYS A 15 10.165 22.290 -9.023 1.00 11.02 H new ATOM 0 HE3 LYS A 15 9.926 21.079 -7.779 1.00 11.02 H new ATOM 0 HZ1 LYS A 15 12.169 21.956 -7.730 1.00 72.34 H new ATOM 0 HZ2 LYS A 15 12.201 20.306 -8.134 1.00 72.34 H new ATOM 0 HZ3 LYS A 15 12.432 21.480 -9.339 1.00 72.34 H new ATOM 191 N TRP A 16 6.425 17.112 -7.140 1.00 41.34 N ATOM 192 CA TRP A 16 5.218 16.347 -6.849 1.00 43.33 C ATOM 193 C TRP A 16 4.483 16.928 -5.646 1.00 42.23 C ATOM 194 O TRP A 16 3.313 17.295 -5.741 1.00 32.03 O ATOM 195 CB TRP A 16 5.568 14.881 -6.589 1.00 44.13 C ATOM 196 CG TRP A 16 4.374 14.029 -6.283 1.00 64.21 C ATOM 197 CD1 TRP A 16 3.986 13.572 -5.056 1.00 12.25 C ATOM 198 CD2 TRP A 16 3.414 13.532 -7.221 1.00 11.23 C ATOM 199 NE1 TRP A 16 2.842 12.819 -5.176 1.00 30.20 N ATOM 200 CE2 TRP A 16 2.470 12.781 -6.494 1.00 42.13 C ATOM 201 CE3 TRP A 16 3.257 13.650 -8.605 1.00 64.00 C ATOM 202 CZ2 TRP A 16 1.389 12.152 -7.105 1.00 54.44 C ATOM 203 CZ3 TRP A 16 2.184 13.025 -9.211 1.00 64.04 C ATOM 204 CH2 TRP A 16 1.261 12.283 -8.461 1.00 75.45 C ATOM 0 H TRP A 16 7.266 16.546 -7.254 1.00 41.34 H new ATOM 0 HA TRP A 16 4.561 16.407 -7.717 1.00 43.33 H new ATOM 0 HB2 TRP A 16 6.079 14.477 -7.463 1.00 44.13 H new ATOM 0 HB3 TRP A 16 6.268 14.825 -5.756 1.00 44.13 H new ATOM 0 HD1 TRP A 16 4.502 13.772 -4.128 1.00 12.25 H new ATOM 0 HE1 TRP A 16 2.350 12.362 -4.408 1.00 30.20 H new ATOM 0 HE3 TRP A 16 3.963 14.220 -9.191 1.00 64.00 H new ATOM 0 HZ2 TRP A 16 0.676 11.581 -6.529 1.00 54.44 H new ATOM 0 HZ3 TRP A 16 2.054 13.110 -10.280 1.00 64.04 H new ATOM 0 HH2 TRP A 16 0.433 11.805 -8.963 1.00 75.45 H new ATOM 215 N GLU A 17 5.177 17.007 -4.514 1.00 13.43 N ATOM 216 CA GLU A 17 4.588 17.543 -3.293 1.00 14.33 C ATOM 217 C GLU A 17 4.064 18.958 -3.517 1.00 13.11 C ATOM 218 O GLU A 17 3.179 19.426 -2.801 1.00 40.24 O ATOM 219 CB GLU A 17 5.617 17.541 -2.160 1.00 32.23 C ATOM 220 CG GLU A 17 5.821 16.176 -1.525 1.00 52.01 C ATOM 221 CD GLU A 17 6.435 16.263 -0.142 1.00 55.34 C ATOM 222 OE1 GLU A 17 6.889 17.363 0.238 1.00 33.42 O ATOM 223 OE2 GLU A 17 6.462 15.232 0.562 1.00 12.31 O ATOM 0 H GLU A 17 6.147 16.707 -4.418 1.00 13.43 H new ATOM 0 HA GLU A 17 3.750 16.904 -3.014 1.00 14.33 H new ATOM 0 HB2 GLU A 17 6.571 17.899 -2.547 1.00 32.23 H new ATOM 0 HB3 GLU A 17 5.300 18.246 -1.392 1.00 32.23 H new ATOM 0 HG2 GLU A 17 4.862 15.662 -1.461 1.00 52.01 H new ATOM 0 HG3 GLU A 17 6.464 15.573 -2.167 1.00 52.01 H new ATOM 230 N LYS A 18 4.618 19.636 -4.517 1.00 10.33 N ATOM 231 CA LYS A 18 4.208 20.998 -4.838 1.00 33.12 C ATOM 232 C LYS A 18 2.813 21.015 -5.454 1.00 30.44 C ATOM 233 O LYS A 18 1.856 21.478 -4.833 1.00 13.02 O ATOM 234 CB LYS A 18 5.209 21.641 -5.800 1.00 45.10 C ATOM 235 CG LYS A 18 5.779 22.955 -5.296 1.00 33.22 C ATOM 236 CD LYS A 18 5.288 24.130 -6.127 1.00 63.21 C ATOM 237 CE LYS A 18 4.866 25.296 -5.246 1.00 60.32 C ATOM 238 NZ LYS A 18 6.020 25.877 -4.504 1.00 4.31 N ATOM 0 H LYS A 18 5.352 19.264 -5.119 1.00 10.33 H new ATOM 0 HA LYS A 18 4.184 21.571 -3.911 1.00 33.12 H new ATOM 0 HB2 LYS A 18 6.028 20.944 -5.978 1.00 45.10 H new ATOM 0 HB3 LYS A 18 4.720 21.811 -6.759 1.00 45.10 H new ATOM 0 HG2 LYS A 18 5.494 23.101 -4.254 1.00 33.22 H new ATOM 0 HG3 LYS A 18 6.868 22.916 -5.326 1.00 33.22 H new ATOM 0 HD2 LYS A 18 6.077 24.452 -6.806 1.00 63.21 H new ATOM 0 HD3 LYS A 18 4.446 23.815 -6.744 1.00 63.21 H new ATOM 0 HE2 LYS A 18 4.404 26.068 -5.862 1.00 60.32 H new ATOM 0 HE3 LYS A 18 4.110 24.960 -4.536 1.00 60.32 H new ATOM 0 HZ1 LYS A 18 5.697 26.690 -3.941 1.00 4.31 H new ATOM 0 HZ2 LYS A 18 6.424 25.157 -3.872 1.00 4.31 H new ATOM 0 HZ3 LYS A 18 6.745 26.190 -5.180 1.00 4.31 H new ATOM 252 N ILE A 19 2.704 20.507 -6.677 1.00 21.51 N ATOM 253 CA ILE A 19 1.426 20.463 -7.375 1.00 53.41 C ATOM 254 C ILE A 19 0.291 20.102 -6.422 1.00 70.04 C ATOM 255 O ILE A 19 0.463 19.284 -5.518 1.00 4.20 O ATOM 256 CB ILE A 19 1.450 19.446 -8.532 1.00 25.20 C ATOM 257 CG1 ILE A 19 2.570 19.789 -9.518 1.00 60.32 C ATOM 258 CG2 ILE A 19 0.105 19.417 -9.241 1.00 50.32 C ATOM 259 CD1 ILE A 19 3.396 18.593 -9.934 1.00 70.00 C ATOM 0 H ILE A 19 3.486 20.120 -7.205 1.00 21.51 H new ATOM 0 HA ILE A 19 1.255 21.460 -7.781 1.00 53.41 H new ATOM 0 HB ILE A 19 1.643 18.455 -8.121 1.00 25.20 H new ATOM 0 HG12 ILE A 19 2.134 20.246 -10.406 1.00 60.32 H new ATOM 0 HG13 ILE A 19 3.225 20.534 -9.066 1.00 60.32 H new ATOM 0 HG21 ILE A 19 0.139 18.694 -10.056 1.00 50.32 H new ATOM 0 HG22 ILE A 19 -0.673 19.131 -8.533 1.00 50.32 H new ATOM 0 HG23 ILE A 19 -0.116 20.406 -9.643 1.00 50.32 H new ATOM 0 HD11 ILE A 19 4.170 18.911 -10.633 1.00 70.00 H new ATOM 0 HD12 ILE A 19 3.862 18.149 -9.054 1.00 70.00 H new ATOM 0 HD13 ILE A 19 2.753 17.856 -10.415 1.00 70.00 H new ATOM 271 N ARG A 20 -0.868 20.717 -6.631 1.00 2.41 N ATOM 272 CA ARG A 20 -2.031 20.461 -5.790 1.00 1.24 C ATOM 273 C ARG A 20 -3.094 19.679 -6.557 1.00 42.54 C ATOM 274 O ARG A 20 -3.080 19.633 -7.787 1.00 10.14 O ATOM 275 CB ARG A 20 -2.620 21.778 -5.282 1.00 52.05 C ATOM 276 CG ARG A 20 -1.916 22.324 -4.050 1.00 34.34 C ATOM 277 CD ARG A 20 -1.682 23.823 -4.162 1.00 44.43 C ATOM 278 NE ARG A 20 -0.819 24.323 -3.094 1.00 32.11 N ATOM 279 CZ ARG A 20 -0.296 25.544 -3.083 1.00 34.15 C ATOM 280 NH1 ARG A 20 -0.547 26.385 -4.078 1.00 43.11 N ATOM 281 NH2 ARG A 20 0.480 25.926 -2.077 1.00 34.24 N ATOM 0 H ARG A 20 -1.027 21.396 -7.375 1.00 2.41 H new ATOM 0 HA ARG A 20 -1.707 19.863 -4.938 1.00 1.24 H new ATOM 0 HB2 ARG A 20 -2.569 22.520 -6.078 1.00 52.05 H new ATOM 0 HB3 ARG A 20 -3.675 21.630 -5.052 1.00 52.05 H new ATOM 0 HG2 ARG A 20 -2.515 22.113 -3.164 1.00 34.34 H new ATOM 0 HG3 ARG A 20 -0.962 21.814 -3.919 1.00 34.34 H new ATOM 0 HD2 ARG A 20 -1.231 24.048 -5.128 1.00 44.43 H new ATOM 0 HD3 ARG A 20 -2.639 24.343 -4.128 1.00 44.43 H new ATOM 0 HE ARG A 20 -0.607 23.700 -2.314 1.00 32.11 H new ATOM 0 HH11 ARG A 20 -1.143 26.094 -4.853 1.00 43.11 H new ATOM 0 HH12 ARG A 20 -0.144 27.322 -4.068 1.00 43.11 H new ATOM 0 HH21 ARG A 20 0.676 25.282 -1.311 1.00 34.24 H new ATOM 0 HH22 ARG A 20 0.881 26.864 -2.070 1.00 34.24 H new ATOM 295 N LEU A 21 -4.014 19.064 -5.821 1.00 40.43 N ATOM 296 CA LEU A 21 -5.085 18.282 -6.431 1.00 65.44 C ATOM 297 C LEU A 21 -6.127 19.194 -7.070 1.00 51.44 C ATOM 298 O LEU A 21 -6.559 18.962 -8.200 1.00 73.43 O ATOM 299 CB LEU A 21 -5.748 17.385 -5.384 1.00 65.45 C ATOM 300 CG LEU A 21 -4.830 16.385 -4.680 1.00 72.33 C ATOM 301 CD1 LEU A 21 -5.413 15.983 -3.333 1.00 23.41 C ATOM 302 CD2 LEU A 21 -4.608 15.159 -5.553 1.00 72.32 C ATOM 0 H LEU A 21 -4.040 19.092 -4.802 1.00 40.43 H new ATOM 0 HA LEU A 21 -4.648 17.658 -7.210 1.00 65.44 H new ATOM 0 HB2 LEU A 21 -6.207 18.021 -4.628 1.00 65.45 H new ATOM 0 HB3 LEU A 21 -6.554 16.831 -5.866 1.00 65.45 H new ATOM 0 HG LEU A 21 -3.866 16.864 -4.508 1.00 72.33 H new ATOM 0 HD11 LEU A 21 -4.747 15.271 -2.846 1.00 23.41 H new ATOM 0 HD12 LEU A 21 -5.521 16.867 -2.705 1.00 23.41 H new ATOM 0 HD13 LEU A 21 -6.390 15.522 -3.482 1.00 23.41 H new ATOM 0 HD21 LEU A 21 -3.952 14.458 -5.036 1.00 72.32 H new ATOM 0 HD22 LEU A 21 -5.565 14.679 -5.756 1.00 72.32 H new ATOM 0 HD23 LEU A 21 -4.147 15.461 -6.494 1.00 72.32 H new ATOM 314 N ARG A 22 -6.526 20.231 -6.340 1.00 21.44 N ATOM 315 CA ARG A 22 -7.517 21.178 -6.837 1.00 54.31 C ATOM 316 C ARG A 22 -6.867 22.513 -7.186 1.00 65.21 C ATOM 317 O ARG A 22 -5.836 22.894 -6.630 1.00 54.44 O ATOM 318 CB ARG A 22 -8.617 21.390 -5.796 1.00 50.03 C ATOM 319 CG ARG A 22 -9.872 20.574 -6.060 1.00 53.03 C ATOM 320 CD ARG A 22 -10.158 19.607 -4.921 1.00 72.51 C ATOM 321 NE ARG A 22 -10.522 20.304 -3.690 1.00 3.31 N ATOM 322 CZ ARG A 22 -10.762 19.685 -2.539 1.00 62.31 C ATOM 323 NH1 ARG A 22 -10.677 18.365 -2.462 1.00 2.04 N ATOM 324 NH2 ARG A 22 -11.088 20.389 -1.462 1.00 41.22 N ATOM 0 H ARG A 22 -6.178 20.436 -5.403 1.00 21.44 H new ATOM 0 HA ARG A 22 -7.958 20.762 -7.743 1.00 54.31 H new ATOM 0 HB2 ARG A 22 -8.227 21.133 -4.811 1.00 50.03 H new ATOM 0 HB3 ARG A 22 -8.881 22.447 -5.769 1.00 50.03 H new ATOM 0 HG2 ARG A 22 -10.722 21.244 -6.192 1.00 53.03 H new ATOM 0 HG3 ARG A 22 -9.757 20.018 -6.990 1.00 53.03 H new ATOM 0 HD2 ARG A 22 -10.966 18.935 -5.210 1.00 72.51 H new ATOM 0 HD3 ARG A 22 -9.279 18.989 -4.741 1.00 72.51 H new ATOM 0 HE ARG A 22 -10.596 21.321 -3.715 1.00 3.31 H new ATOM 0 HH11 ARG A 22 -10.427 17.821 -3.288 1.00 2.04 H new ATOM 0 HH12 ARG A 22 -10.862 17.893 -1.577 1.00 2.04 H new ATOM 0 HH21 ARG A 22 -11.154 21.405 -1.518 1.00 41.22 H new ATOM 0 HH22 ARG A 22 -11.272 19.914 -0.579 1.00 41.22 H new ATOM 338 N PRO A 23 -7.482 23.243 -8.129 1.00 43.21 N ATOM 339 CA PRO A 23 -6.980 24.547 -8.573 1.00 60.33 C ATOM 340 C PRO A 23 -7.133 25.622 -7.502 1.00 54.13 C ATOM 341 O PRO A 23 -6.245 26.452 -7.311 1.00 53.32 O ATOM 342 CB PRO A 23 -7.856 24.871 -9.784 1.00 13.23 C ATOM 343 CG PRO A 23 -9.116 24.107 -9.555 1.00 22.15 C ATOM 344 CD PRO A 23 -8.713 22.852 -8.834 1.00 14.41 C ATOM 0 HA PRO A 23 -5.914 24.518 -8.797 1.00 60.33 H new ATOM 0 HB2 PRO A 23 -8.050 25.941 -9.858 1.00 13.23 H new ATOM 0 HB3 PRO A 23 -7.374 24.570 -10.714 1.00 13.23 H new ATOM 0 HG2 PRO A 23 -9.822 24.688 -8.962 1.00 22.15 H new ATOM 0 HG3 PRO A 23 -9.608 23.874 -10.499 1.00 22.15 H new ATOM 0 HD2 PRO A 23 -9.486 22.522 -8.140 1.00 14.41 H new ATOM 0 HD3 PRO A 23 -8.535 22.030 -9.527 1.00 14.41 H new ATOM 352 N GLY A 24 -8.266 25.601 -6.806 1.00 45.22 N ATOM 353 CA GLY A 24 -8.515 26.579 -5.763 1.00 4.55 C ATOM 354 C GLY A 24 -8.566 25.954 -4.383 1.00 11.31 C ATOM 355 O GLY A 24 -9.448 26.267 -3.584 1.00 15.24 O ATOM 0 H GLY A 24 -9.016 24.924 -6.946 1.00 45.22 H new ATOM 0 HA2 GLY A 24 -7.733 27.338 -5.786 1.00 4.55 H new ATOM 0 HA3 GLY A 24 -9.458 27.087 -5.963 1.00 4.55 H new ATOM 359 N GLY A 25 -7.619 25.065 -4.100 1.00 24.35 N ATOM 360 CA GLY A 25 -7.579 24.408 -2.808 1.00 40.43 C ATOM 361 C GLY A 25 -6.266 24.630 -2.084 1.00 11.13 C ATOM 362 O GLY A 25 -5.437 25.429 -2.518 1.00 64.25 O ATOM 0 H GLY A 25 -6.878 24.788 -4.744 1.00 24.35 H new ATOM 0 HA2 GLY A 25 -8.398 24.778 -2.191 1.00 40.43 H new ATOM 0 HA3 GLY A 25 -7.739 23.338 -2.943 1.00 40.43 H new ATOM 366 N LYS A 26 -6.076 23.921 -0.976 1.00 73.33 N ATOM 367 CA LYS A 26 -4.856 24.045 -0.188 1.00 2.14 C ATOM 368 C LYS A 26 -4.211 22.680 0.034 1.00 74.13 C ATOM 369 O LYS A 26 -3.253 22.551 0.798 1.00 13.35 O ATOM 370 CB LYS A 26 -5.157 24.704 1.160 1.00 13.45 C ATOM 371 CG LYS A 26 -5.483 26.183 1.055 1.00 20.22 C ATOM 372 CD LYS A 26 -5.574 26.833 2.426 1.00 31.21 C ATOM 373 CE LYS A 26 -6.809 27.712 2.545 1.00 14.50 C ATOM 374 NZ LYS A 26 -6.905 28.355 3.885 1.00 31.24 N ATOM 0 H LYS A 26 -6.752 23.254 -0.604 1.00 73.33 H new ATOM 0 HA LYS A 26 -4.158 24.672 -0.743 1.00 2.14 H new ATOM 0 HB2 LYS A 26 -5.996 24.188 1.628 1.00 13.45 H new ATOM 0 HB3 LYS A 26 -4.297 24.576 1.817 1.00 13.45 H new ATOM 0 HG2 LYS A 26 -4.717 26.684 0.464 1.00 20.22 H new ATOM 0 HG3 LYS A 26 -6.428 26.312 0.527 1.00 20.22 H new ATOM 0 HD2 LYS A 26 -5.600 26.061 3.195 1.00 31.21 H new ATOM 0 HD3 LYS A 26 -4.681 27.432 2.606 1.00 31.21 H new ATOM 0 HE2 LYS A 26 -6.783 28.482 1.774 1.00 14.50 H new ATOM 0 HE3 LYS A 26 -7.701 27.112 2.366 1.00 14.50 H new ATOM 0 HZ1 LYS A 26 -7.760 28.946 3.926 1.00 31.24 H new ATOM 0 HZ2 LYS A 26 -6.956 27.621 4.620 1.00 31.24 H new ATOM 0 HZ3 LYS A 26 -6.066 28.948 4.046 1.00 31.24 H new ATOM 388 N LYS A 27 -4.741 21.665 -0.639 1.00 43.32 N ATOM 389 CA LYS A 27 -4.216 20.309 -0.518 1.00 74.31 C ATOM 390 C LYS A 27 -3.211 20.014 -1.627 1.00 2.01 C ATOM 391 O LYS A 27 -3.536 20.099 -2.810 1.00 33.31 O ATOM 392 CB LYS A 27 -5.358 19.292 -0.567 1.00 1.22 C ATOM 393 CG LYS A 27 -5.758 18.761 0.799 1.00 0.13 C ATOM 394 CD LYS A 27 -7.254 18.890 1.031 1.00 11.22 C ATOM 395 CE LYS A 27 -7.784 17.755 1.894 1.00 21.24 C ATOM 396 NZ LYS A 27 -8.341 18.252 3.183 1.00 24.21 N ATOM 0 H LYS A 27 -5.534 21.755 -1.274 1.00 43.32 H new ATOM 0 HA LYS A 27 -3.706 20.228 0.442 1.00 74.31 H new ATOM 0 HB2 LYS A 27 -6.226 19.755 -1.036 1.00 1.22 H new ATOM 0 HB3 LYS A 27 -5.062 18.456 -1.200 1.00 1.22 H new ATOM 0 HG2 LYS A 27 -5.465 17.715 0.884 1.00 0.13 H new ATOM 0 HG3 LYS A 27 -5.220 19.307 1.574 1.00 0.13 H new ATOM 0 HD2 LYS A 27 -7.468 19.845 1.512 1.00 11.22 H new ATOM 0 HD3 LYS A 27 -7.773 18.893 0.073 1.00 11.22 H new ATOM 0 HE2 LYS A 27 -8.558 17.215 1.348 1.00 21.24 H new ATOM 0 HE3 LYS A 27 -6.981 17.046 2.095 1.00 21.24 H new ATOM 0 HZ1 LYS A 27 -8.692 17.448 3.742 1.00 24.21 H new ATOM 0 HZ2 LYS A 27 -7.597 18.746 3.715 1.00 24.21 H new ATOM 0 HZ3 LYS A 27 -9.124 18.909 2.992 1.00 24.21 H new ATOM 410 N GLN A 28 -1.990 19.667 -1.234 1.00 1.24 N ATOM 411 CA GLN A 28 -0.938 19.358 -2.196 1.00 50.30 C ATOM 412 C GLN A 28 -0.845 17.855 -2.439 1.00 74.13 C ATOM 413 O GLN A 28 -1.445 17.062 -1.713 1.00 15.32 O ATOM 414 CB GLN A 28 0.408 19.890 -1.700 1.00 35.42 C ATOM 415 CG GLN A 28 1.140 18.929 -0.779 1.00 62.25 C ATOM 416 CD GLN A 28 0.238 18.345 0.290 1.00 40.23 C ATOM 417 OE1 GLN A 28 -0.478 19.071 0.980 1.00 41.44 O ATOM 418 NE2 GLN A 28 0.266 17.025 0.433 1.00 63.11 N ATOM 0 H GLN A 28 -1.705 19.593 -0.258 1.00 1.24 H new ATOM 0 HA GLN A 28 -1.189 19.845 -3.138 1.00 50.30 H new ATOM 0 HB2 GLN A 28 1.041 20.110 -2.559 1.00 35.42 H new ATOM 0 HB3 GLN A 28 0.246 20.831 -1.175 1.00 35.42 H new ATOM 0 HG2 GLN A 28 1.568 18.119 -1.370 1.00 62.25 H new ATOM 0 HG3 GLN A 28 1.971 19.450 -0.303 1.00 62.25 H new ATOM 0 HE21 GLN A 28 0.874 16.461 -0.160 1.00 63.11 H new ATOM 0 HE22 GLN A 28 -0.321 16.576 1.136 1.00 63.11 H new ATOM 427 N TYR A 29 -0.090 17.471 -3.462 1.00 35.33 N ATOM 428 CA TYR A 29 0.079 16.064 -3.801 1.00 53.30 C ATOM 429 C TYR A 29 0.968 15.360 -2.781 1.00 3.44 C ATOM 430 O TYR A 29 1.904 15.952 -2.241 1.00 52.20 O ATOM 431 CB TYR A 29 0.680 15.923 -5.201 1.00 30.54 C ATOM 432 CG TYR A 29 -0.332 15.541 -6.258 1.00 24.13 C ATOM 433 CD1 TYR A 29 -0.908 14.277 -6.272 1.00 4.43 C ATOM 434 CD2 TYR A 29 -0.711 16.444 -7.244 1.00 24.34 C ATOM 435 CE1 TYR A 29 -1.831 13.923 -7.237 1.00 65.11 C ATOM 436 CE2 TYR A 29 -1.635 16.100 -8.211 1.00 23.24 C ATOM 437 CZ TYR A 29 -2.192 14.839 -8.204 1.00 2.31 C ATOM 438 OH TYR A 29 -3.111 14.491 -9.166 1.00 33.22 O ATOM 0 H TYR A 29 0.415 18.115 -4.071 1.00 35.33 H new ATOM 0 HA TYR A 29 -0.904 15.593 -3.785 1.00 53.30 H new ATOM 0 HB2 TYR A 29 1.149 16.866 -5.483 1.00 30.54 H new ATOM 0 HB3 TYR A 29 1.468 15.170 -5.175 1.00 30.54 H new ATOM 0 HD1 TYR A 29 -0.629 13.559 -5.515 1.00 4.43 H new ATOM 0 HD2 TYR A 29 -0.275 17.432 -7.254 1.00 24.34 H new ATOM 0 HE1 TYR A 29 -2.268 12.935 -7.235 1.00 65.11 H new ATOM 0 HE2 TYR A 29 -1.920 16.815 -8.969 1.00 23.24 H new ATOM 0 HH TYR A 29 -3.736 13.831 -8.798 1.00 33.22 H new ATOM 448 N LYS A 30 0.672 14.091 -2.522 1.00 35.10 N ATOM 449 CA LYS A 30 1.444 13.304 -1.569 1.00 11.30 C ATOM 450 C LYS A 30 1.607 11.867 -2.056 1.00 54.10 C ATOM 451 O LYS A 30 0.971 11.453 -3.026 1.00 21.43 O ATOM 452 CB LYS A 30 0.763 13.314 -0.198 1.00 14.12 C ATOM 453 CG LYS A 30 1.647 13.847 0.916 1.00 24.22 C ATOM 454 CD LYS A 30 0.829 14.268 2.125 1.00 21.34 C ATOM 455 CE LYS A 30 1.631 15.160 3.059 1.00 25.55 C ATOM 456 NZ LYS A 30 1.020 15.239 4.413 1.00 40.12 N ATOM 0 H LYS A 30 -0.098 13.585 -2.960 1.00 35.10 H new ATOM 0 HA LYS A 30 2.433 13.754 -1.481 1.00 11.30 H new ATOM 0 HB2 LYS A 30 -0.141 13.921 -0.255 1.00 14.12 H new ATOM 0 HB3 LYS A 30 0.451 12.300 0.051 1.00 14.12 H new ATOM 0 HG2 LYS A 30 2.365 13.081 1.210 1.00 24.22 H new ATOM 0 HG3 LYS A 30 2.221 14.698 0.550 1.00 24.22 H new ATOM 0 HD2 LYS A 30 -0.065 14.797 1.794 1.00 21.34 H new ATOM 0 HD3 LYS A 30 0.494 13.382 2.665 1.00 21.34 H new ATOM 0 HE2 LYS A 30 2.648 14.777 3.142 1.00 25.55 H new ATOM 0 HE3 LYS A 30 1.701 16.161 2.634 1.00 25.55 H new ATOM 0 HZ1 LYS A 30 1.597 15.857 5.019 1.00 40.12 H new ATOM 0 HZ2 LYS A 30 0.059 15.628 4.338 1.00 40.12 H new ATOM 0 HZ3 LYS A 30 0.977 14.287 4.830 1.00 40.12 H new ATOM 470 N LEU A 31 2.462 11.111 -1.377 1.00 55.24 N ATOM 471 CA LEU A 31 2.707 9.719 -1.740 1.00 41.04 C ATOM 472 C LEU A 31 1.397 8.947 -1.855 1.00 52.12 C ATOM 473 O LEU A 31 1.232 8.111 -2.743 1.00 13.05 O ATOM 474 CB LEU A 31 3.615 9.054 -0.702 1.00 12.44 C ATOM 475 CG LEU A 31 4.824 8.297 -1.256 1.00 33.33 C ATOM 476 CD1 LEU A 31 5.991 9.246 -1.476 1.00 31.33 C ATOM 477 CD2 LEU A 31 5.221 7.168 -0.317 1.00 10.01 C ATOM 0 H LEU A 31 2.997 11.438 -0.572 1.00 55.24 H new ATOM 0 HA LEU A 31 3.202 9.704 -2.711 1.00 41.04 H new ATOM 0 HB2 LEU A 31 3.975 9.822 -0.018 1.00 12.44 H new ATOM 0 HB3 LEU A 31 3.014 8.360 -0.115 1.00 12.44 H new ATOM 0 HG LEU A 31 4.549 7.863 -2.217 1.00 33.33 H new ATOM 0 HD11 LEU A 31 6.842 8.691 -1.870 1.00 31.33 H new ATOM 0 HD12 LEU A 31 5.702 10.020 -2.187 1.00 31.33 H new ATOM 0 HD13 LEU A 31 6.267 9.709 -0.529 1.00 31.33 H new ATOM 0 HD21 LEU A 31 6.082 6.640 -0.726 1.00 10.01 H new ATOM 0 HD22 LEU A 31 5.478 7.580 0.659 1.00 10.01 H new ATOM 0 HD23 LEU A 31 4.387 6.474 -0.210 1.00 10.01 H new ATOM 489 N LYS A 32 0.466 9.232 -0.951 1.00 60.50 N ATOM 490 CA LYS A 32 -0.832 8.569 -0.952 1.00 13.22 C ATOM 491 C LYS A 32 -1.420 8.525 -2.359 1.00 22.44 C ATOM 492 O LYS A 32 -2.130 7.585 -2.718 1.00 44.33 O ATOM 493 CB LYS A 32 -1.797 9.288 -0.008 1.00 51.24 C ATOM 494 CG LYS A 32 -1.923 8.625 1.353 1.00 51.44 C ATOM 495 CD LYS A 32 -2.798 9.439 2.292 1.00 70.41 C ATOM 496 CE LYS A 32 -3.119 8.670 3.564 1.00 12.44 C ATOM 497 NZ LYS A 32 -2.292 9.129 4.713 1.00 42.24 N ATOM 0 H LYS A 32 0.587 9.919 -0.207 1.00 60.50 H new ATOM 0 HA LYS A 32 -0.688 7.546 -0.604 1.00 13.22 H new ATOM 0 HB2 LYS A 32 -1.461 10.316 0.128 1.00 51.24 H new ATOM 0 HB3 LYS A 32 -2.782 9.333 -0.474 1.00 51.24 H new ATOM 0 HG2 LYS A 32 -2.345 7.627 1.235 1.00 51.44 H new ATOM 0 HG3 LYS A 32 -0.933 8.502 1.792 1.00 51.44 H new ATOM 0 HD2 LYS A 32 -2.292 10.370 2.547 1.00 70.41 H new ATOM 0 HD3 LYS A 32 -3.725 9.708 1.785 1.00 70.41 H new ATOM 0 HE2 LYS A 32 -4.175 8.792 3.805 1.00 12.44 H new ATOM 0 HE3 LYS A 32 -2.951 7.606 3.397 1.00 12.44 H new ATOM 0 HZ1 LYS A 32 -2.541 8.580 5.561 1.00 42.24 H new ATOM 0 HZ2 LYS A 32 -1.285 8.990 4.494 1.00 42.24 H new ATOM 0 HZ3 LYS A 32 -2.471 10.138 4.889 1.00 42.24 H new ATOM 511 N HIS A 33 -1.118 9.548 -3.154 1.00 53.13 N ATOM 512 CA HIS A 33 -1.615 9.625 -4.524 1.00 52.13 C ATOM 513 C HIS A 33 -0.810 8.713 -5.444 1.00 51.10 C ATOM 514 O HIS A 33 -1.424 8.128 -6.338 1.00 70.31 O ATOM 515 CB HIS A 33 -1.551 11.066 -5.032 1.00 44.24 C ATOM 516 CG HIS A 33 -2.361 12.025 -4.215 1.00 35.12 C ATOM 517 ND1 HIS A 33 -1.797 12.989 -3.406 1.00 22.32 N ATOM 518 CD2 HIS A 33 -3.701 12.166 -4.086 1.00 74.30 C ATOM 519 CE1 HIS A 33 -2.756 13.680 -2.815 1.00 64.32 C ATOM 520 NE2 HIS A 33 -3.920 13.201 -3.212 1.00 54.54 N ATOM 0 H HIS A 33 -0.532 10.334 -2.873 1.00 53.13 H new ATOM 0 HA HIS A 33 -2.653 9.292 -4.528 1.00 52.13 H new ATOM 0 HB2 HIS A 33 -0.512 11.395 -5.038 1.00 44.24 H new ATOM 0 HB3 HIS A 33 -1.901 11.095 -6.064 1.00 44.24 H new ATOM 0 HD2 HIS A 33 -4.457 11.574 -4.579 1.00 74.30 H new ATOM 0 HE1 HIS A 33 -2.612 14.498 -2.124 1.00 64.32 H new ATOM 0 HE2 HIS A 33 -4.834 13.544 -2.917 1.00 54.54 H new ATOM 528 N ILE A 34 0.498 8.579 -5.258 1.00 23.33 N ATOM 529 CA ILE A 34 1.307 7.718 -6.112 1.00 64.40 C ATOM 530 C ILE A 34 1.110 6.249 -5.756 1.00 41.34 C ATOM 531 O ILE A 34 0.713 5.443 -6.597 1.00 14.32 O ATOM 532 CB ILE A 34 2.804 8.064 -6.003 1.00 24.43 C ATOM 533 CG1 ILE A 34 3.015 9.570 -6.169 1.00 64.45 C ATOM 534 CG2 ILE A 34 3.602 7.295 -7.046 1.00 21.42 C ATOM 535 CD1 ILE A 34 4.464 9.992 -6.074 1.00 44.03 C ATOM 0 H ILE A 34 1.021 9.056 -4.523 1.00 23.33 H new ATOM 0 HA ILE A 34 0.976 7.889 -7.136 1.00 64.40 H new ATOM 0 HB ILE A 34 3.158 7.773 -5.014 1.00 24.43 H new ATOM 0 HG12 ILE A 34 2.618 9.880 -7.136 1.00 64.45 H new ATOM 0 HG13 ILE A 34 2.441 10.095 -5.405 1.00 64.45 H new ATOM 0 HG21 ILE A 34 4.658 7.550 -6.957 1.00 21.42 H new ATOM 0 HG22 ILE A 34 3.472 6.225 -6.887 1.00 21.42 H new ATOM 0 HG23 ILE A 34 3.248 7.559 -8.042 1.00 21.42 H new ATOM 0 HD11 ILE A 34 4.537 11.072 -6.201 1.00 44.03 H new ATOM 0 HD12 ILE A 34 4.861 9.714 -5.098 1.00 44.03 H new ATOM 0 HD13 ILE A 34 5.040 9.495 -6.855 1.00 44.03 H new ATOM 547 N VAL A 35 1.389 5.906 -4.502 1.00 61.13 N ATOM 548 CA VAL A 35 1.239 4.534 -4.033 1.00 5.30 C ATOM 549 C VAL A 35 -0.117 3.962 -4.431 1.00 42.12 C ATOM 550 O VAL A 35 -0.225 2.789 -4.788 1.00 34.34 O ATOM 551 CB VAL A 35 1.393 4.444 -2.503 1.00 74.25 C ATOM 552 CG1 VAL A 35 1.256 3.004 -2.036 1.00 1.32 C ATOM 553 CG2 VAL A 35 2.727 5.031 -2.067 1.00 62.35 C ATOM 0 H VAL A 35 1.720 6.560 -3.793 1.00 61.13 H new ATOM 0 HA VAL A 35 2.029 3.950 -4.505 1.00 5.30 H new ATOM 0 HB VAL A 35 0.597 5.027 -2.040 1.00 74.25 H new ATOM 0 HG11 VAL A 35 1.368 2.961 -0.953 1.00 1.32 H new ATOM 0 HG12 VAL A 35 0.274 2.623 -2.315 1.00 1.32 H new ATOM 0 HG13 VAL A 35 2.028 2.394 -2.505 1.00 1.32 H new ATOM 0 HG21 VAL A 35 2.819 4.959 -0.983 1.00 62.35 H new ATOM 0 HG22 VAL A 35 3.539 4.477 -2.538 1.00 62.35 H new ATOM 0 HG23 VAL A 35 2.779 6.078 -2.367 1.00 62.35 H new ATOM 563 N TRP A 36 -1.147 4.798 -4.367 1.00 12.53 N ATOM 564 CA TRP A 36 -2.497 4.375 -4.721 1.00 33.34 C ATOM 565 C TRP A 36 -2.558 3.909 -6.172 1.00 0.14 C ATOM 566 O TRP A 36 -3.026 2.808 -6.461 1.00 61.35 O ATOM 567 CB TRP A 36 -3.487 5.519 -4.497 1.00 13.25 C ATOM 568 CG TRP A 36 -4.906 5.144 -4.800 1.00 21.12 C ATOM 569 CD1 TRP A 36 -5.680 4.248 -4.119 1.00 24.32 C ATOM 570 CD2 TRP A 36 -5.720 5.654 -5.863 1.00 60.14 C ATOM 571 NE1 TRP A 36 -6.925 4.170 -4.695 1.00 51.51 N ATOM 572 CE2 TRP A 36 -6.976 5.023 -5.765 1.00 24.11 C ATOM 573 CE3 TRP A 36 -5.510 6.583 -6.885 1.00 32.11 C ATOM 574 CZ2 TRP A 36 -8.015 5.292 -6.652 1.00 24.40 C ATOM 575 CZ3 TRP A 36 -6.543 6.848 -7.765 1.00 63.43 C ATOM 576 CH2 TRP A 36 -7.782 6.207 -7.643 1.00 3.53 C ATOM 0 H TRP A 36 -1.073 5.772 -4.073 1.00 12.53 H new ATOM 0 HA TRP A 36 -2.769 3.538 -4.078 1.00 33.34 H new ATOM 0 HB2 TRP A 36 -3.420 5.851 -3.461 1.00 13.25 H new ATOM 0 HB3 TRP A 36 -3.201 6.365 -5.122 1.00 13.25 H new ATOM 0 HD1 TRP A 36 -5.361 3.684 -3.255 1.00 24.32 H new ATOM 0 HE1 TRP A 36 -7.688 3.573 -4.377 1.00 51.51 H new ATOM 0 HE3 TRP A 36 -4.559 7.085 -6.986 1.00 32.11 H new ATOM 0 HZ2 TRP A 36 -8.970 4.797 -6.561 1.00 24.40 H new ATOM 0 HZ3 TRP A 36 -6.392 7.562 -8.561 1.00 63.43 H new ATOM 0 HH2 TRP A 36 -8.569 6.439 -8.345 1.00 3.53 H new ATOM 587 N ALA A 37 -2.082 4.754 -7.080 1.00 21.43 N ATOM 588 CA ALA A 37 -2.081 4.428 -8.501 1.00 12.51 C ATOM 589 C ALA A 37 -1.468 3.053 -8.748 1.00 50.22 C ATOM 590 O ALA A 37 -1.932 2.300 -9.603 1.00 12.33 O ATOM 591 CB ALA A 37 -1.329 5.491 -9.287 1.00 71.20 C ATOM 0 H ALA A 37 -1.692 5.670 -6.857 1.00 21.43 H new ATOM 0 HA ALA A 37 -3.116 4.403 -8.843 1.00 12.51 H new ATOM 0 HB1 ALA A 37 -1.337 5.234 -10.346 1.00 71.20 H new ATOM 0 HB2 ALA A 37 -1.811 6.458 -9.145 1.00 71.20 H new ATOM 0 HB3 ALA A 37 -0.299 5.544 -8.934 1.00 71.20 H new ATOM 597 N SER A 38 -0.421 2.732 -7.993 1.00 60.33 N ATOM 598 CA SER A 38 0.259 1.450 -8.133 1.00 34.13 C ATOM 599 C SER A 38 -0.622 0.311 -7.629 1.00 1.04 C ATOM 600 O SER A 38 -0.785 -0.707 -8.303 1.00 72.20 O ATOM 601 CB SER A 38 1.582 1.464 -7.367 1.00 22.11 C ATOM 602 OG SER A 38 2.681 1.616 -8.250 1.00 54.33 O ATOM 0 H SER A 38 -0.026 3.343 -7.278 1.00 60.33 H new ATOM 0 HA SER A 38 0.463 1.288 -9.191 1.00 34.13 H new ATOM 0 HB2 SER A 38 1.578 2.279 -6.643 1.00 22.11 H new ATOM 0 HB3 SER A 38 1.690 0.537 -6.804 1.00 22.11 H new ATOM 0 HG SER A 38 3.515 1.624 -7.736 1.00 54.33 H new ATOM 608 N ARG A 39 -1.186 0.489 -6.439 1.00 75.45 N ATOM 609 CA ARG A 39 -2.049 -0.523 -5.842 1.00 34.33 C ATOM 610 C ARG A 39 -3.288 -0.757 -6.702 1.00 21.24 C ATOM 611 O ARG A 39 -3.953 -1.785 -6.583 1.00 3.30 O ATOM 612 CB ARG A 39 -2.466 -0.102 -4.432 1.00 23.24 C ATOM 613 CG ARG A 39 -1.397 -0.353 -3.380 1.00 34.24 C ATOM 614 CD ARG A 39 -1.325 -1.824 -3.000 1.00 31.11 C ATOM 615 NE ARG A 39 -0.079 -2.150 -2.311 1.00 21.10 N ATOM 616 CZ ARG A 39 0.154 -1.856 -1.037 1.00 4.54 C ATOM 617 NH1 ARG A 39 -0.767 -1.234 -0.316 1.00 32.12 N ATOM 618 NH2 ARG A 39 1.314 -2.187 -0.481 1.00 72.32 N ATOM 0 H ARG A 39 -1.061 1.325 -5.869 1.00 75.45 H new ATOM 0 HA ARG A 39 -1.487 -1.455 -5.784 1.00 34.33 H new ATOM 0 HB2 ARG A 39 -2.716 0.959 -4.438 1.00 23.24 H new ATOM 0 HB3 ARG A 39 -3.371 -0.641 -4.154 1.00 23.24 H new ATOM 0 HG2 ARG A 39 -0.429 -0.026 -3.758 1.00 34.24 H new ATOM 0 HG3 ARG A 39 -1.611 0.243 -2.493 1.00 34.24 H new ATOM 0 HD2 ARG A 39 -2.170 -2.075 -2.359 1.00 31.11 H new ATOM 0 HD3 ARG A 39 -1.414 -2.435 -3.898 1.00 31.11 H new ATOM 0 HE ARG A 39 0.652 -2.629 -2.837 1.00 21.10 H new ATOM 0 HH11 ARG A 39 -1.659 -0.979 -0.739 1.00 32.12 H new ATOM 0 HH12 ARG A 39 -0.584 -1.010 0.662 1.00 32.12 H new ATOM 0 HH21 ARG A 39 2.025 -2.667 -1.032 1.00 72.32 H new ATOM 0 HH22 ARG A 39 1.493 -1.961 0.497 1.00 72.32 H new ATOM 632 N GLU A 40 -3.591 0.205 -7.568 1.00 74.44 N ATOM 633 CA GLU A 40 -4.751 0.104 -8.446 1.00 64.41 C ATOM 634 C GLU A 40 -4.350 -0.426 -9.819 1.00 23.53 C ATOM 635 O GLU A 40 -5.109 -1.151 -10.463 1.00 24.25 O ATOM 636 CB GLU A 40 -5.428 1.469 -8.592 1.00 22.22 C ATOM 637 CG GLU A 40 -6.945 1.406 -8.530 1.00 22.00 C ATOM 638 CD GLU A 40 -7.527 0.391 -9.494 1.00 11.34 C ATOM 639 OE1 GLU A 40 -7.379 -0.823 -9.241 1.00 42.23 O ATOM 640 OE2 GLU A 40 -8.131 0.811 -10.504 1.00 11.41 O ATOM 0 H GLU A 40 -3.050 1.062 -7.680 1.00 74.44 H new ATOM 0 HA GLU A 40 -5.455 -0.597 -7.997 1.00 64.41 H new ATOM 0 HB2 GLU A 40 -5.068 2.130 -7.804 1.00 22.22 H new ATOM 0 HB3 GLU A 40 -5.130 1.913 -9.542 1.00 22.22 H new ATOM 0 HG2 GLU A 40 -7.253 1.156 -7.515 1.00 22.00 H new ATOM 0 HG3 GLU A 40 -7.355 2.391 -8.754 1.00 22.00 H new ATOM 647 N LEU A 41 -3.152 -0.059 -10.261 1.00 23.43 N ATOM 648 CA LEU A 41 -2.648 -0.497 -11.558 1.00 65.13 C ATOM 649 C LEU A 41 -2.476 -2.013 -11.592 1.00 60.31 C ATOM 650 O LEU A 41 -2.789 -2.659 -12.592 1.00 64.43 O ATOM 651 CB LEU A 41 -1.313 0.186 -11.865 1.00 11.53 C ATOM 652 CG LEU A 41 -1.398 1.536 -12.576 1.00 33.40 C ATOM 653 CD1 LEU A 41 -0.011 2.134 -12.754 1.00 12.23 C ATOM 654 CD2 LEU A 41 -2.095 1.389 -13.921 1.00 2.42 C ATOM 0 H LEU A 41 -2.512 0.541 -9.740 1.00 23.43 H new ATOM 0 HA LEU A 41 -3.377 -0.215 -12.318 1.00 65.13 H new ATOM 0 HB2 LEU A 41 -0.775 0.325 -10.927 1.00 11.53 H new ATOM 0 HB3 LEU A 41 -0.715 -0.488 -12.479 1.00 11.53 H new ATOM 0 HG LEU A 41 -1.987 2.214 -11.958 1.00 33.40 H new ATOM 0 HD11 LEU A 41 -0.092 3.095 -13.262 1.00 12.23 H new ATOM 0 HD12 LEU A 41 0.451 2.277 -11.777 1.00 12.23 H new ATOM 0 HD13 LEU A 41 0.603 1.459 -13.350 1.00 12.23 H new ATOM 0 HD21 LEU A 41 -2.146 2.361 -14.412 1.00 2.42 H new ATOM 0 HD22 LEU A 41 -1.535 0.695 -14.547 1.00 2.42 H new ATOM 0 HD23 LEU A 41 -3.104 1.006 -13.768 1.00 2.42 H new ATOM 666 N GLU A 42 -1.982 -2.573 -10.493 1.00 65.51 N ATOM 667 CA GLU A 42 -1.771 -4.012 -10.398 1.00 45.23 C ATOM 668 C GLU A 42 -3.069 -4.770 -10.659 1.00 31.15 C ATOM 669 O GLU A 42 -3.051 -5.933 -11.062 1.00 41.21 O ATOM 670 CB GLU A 42 -1.221 -4.379 -9.017 1.00 34.02 C ATOM 671 CG GLU A 42 -0.023 -5.311 -9.068 1.00 45.35 C ATOM 672 CD GLU A 42 0.314 -5.902 -7.713 1.00 64.13 C ATOM 673 OE1 GLU A 42 0.885 -5.175 -6.873 1.00 44.40 O ATOM 674 OE2 GLU A 42 0.006 -7.092 -7.492 1.00 52.35 O ATOM 0 H GLU A 42 -1.720 -2.052 -9.656 1.00 65.51 H new ATOM 0 HA GLU A 42 -1.044 -4.298 -11.158 1.00 45.23 H new ATOM 0 HB2 GLU A 42 -0.938 -3.466 -8.493 1.00 34.02 H new ATOM 0 HB3 GLU A 42 -2.012 -4.849 -8.433 1.00 34.02 H new ATOM 0 HG2 GLU A 42 -0.225 -6.118 -9.772 1.00 45.35 H new ATOM 0 HG3 GLU A 42 0.841 -4.766 -9.447 1.00 45.35 H new ATOM 681 N ARG A 43 -4.194 -4.102 -10.426 1.00 40.40 N ATOM 682 CA ARG A 43 -5.502 -4.713 -10.635 1.00 51.22 C ATOM 683 C ARG A 43 -5.920 -4.616 -12.099 1.00 1.50 C ATOM 684 O ARG A 43 -6.749 -5.394 -12.571 1.00 54.35 O ATOM 685 CB ARG A 43 -6.551 -4.038 -9.748 1.00 5.40 C ATOM 686 CG ARG A 43 -7.375 -5.016 -8.929 1.00 50.42 C ATOM 687 CD ARG A 43 -8.468 -4.305 -8.146 1.00 60.43 C ATOM 688 NE ARG A 43 -9.557 -5.207 -7.782 1.00 61.43 N ATOM 689 CZ ARG A 43 -9.449 -6.153 -6.857 1.00 51.41 C ATOM 690 NH1 ARG A 43 -8.307 -6.321 -6.206 1.00 41.32 N ATOM 691 NH2 ARG A 43 -10.486 -6.936 -6.582 1.00 33.53 N ATOM 0 H ARG A 43 -4.227 -3.139 -10.093 1.00 40.40 H new ATOM 0 HA ARG A 43 -5.431 -5.767 -10.365 1.00 51.22 H new ATOM 0 HB2 ARG A 43 -6.051 -3.343 -9.073 1.00 5.40 H new ATOM 0 HB3 ARG A 43 -7.220 -3.448 -10.375 1.00 5.40 H new ATOM 0 HG2 ARG A 43 -7.823 -5.758 -9.590 1.00 50.42 H new ATOM 0 HG3 ARG A 43 -6.724 -5.554 -8.240 1.00 50.42 H new ATOM 0 HD2 ARG A 43 -8.041 -3.869 -7.243 1.00 60.43 H new ATOM 0 HD3 ARG A 43 -8.863 -3.482 -8.741 1.00 60.43 H new ATOM 0 HE ARG A 43 -10.450 -5.105 -8.265 1.00 61.43 H new ATOM 0 HH11 ARG A 43 -7.508 -5.723 -6.415 1.00 41.32 H new ATOM 0 HH12 ARG A 43 -8.227 -7.049 -5.496 1.00 41.32 H new ATOM 0 HH21 ARG A 43 -11.366 -6.811 -7.082 1.00 33.53 H new ATOM 0 HH22 ARG A 43 -10.402 -7.663 -5.871 1.00 33.53 H new ATOM 705 N PHE A 44 -5.340 -3.656 -12.813 1.00 45.51 N ATOM 706 CA PHE A 44 -5.653 -3.458 -14.223 1.00 64.23 C ATOM 707 C PHE A 44 -4.666 -4.210 -15.111 1.00 65.12 C ATOM 708 O PHE A 44 -4.507 -3.892 -16.289 1.00 14.10 O ATOM 709 CB PHE A 44 -5.632 -1.967 -14.566 1.00 62.24 C ATOM 710 CG PHE A 44 -6.954 -1.284 -14.357 1.00 12.20 C ATOM 711 CD1 PHE A 44 -8.105 -1.781 -14.948 1.00 21.11 C ATOM 712 CD2 PHE A 44 -7.045 -0.148 -13.571 1.00 74.44 C ATOM 713 CE1 PHE A 44 -9.322 -1.155 -14.759 1.00 31.01 C ATOM 714 CE2 PHE A 44 -8.260 0.482 -13.378 1.00 74.12 C ATOM 715 CZ PHE A 44 -9.401 -0.022 -13.972 1.00 40.50 C ATOM 0 H PHE A 44 -4.651 -3.004 -12.438 1.00 45.51 H new ATOM 0 HA PHE A 44 -6.652 -3.853 -14.407 1.00 64.23 H new ATOM 0 HB2 PHE A 44 -4.876 -1.473 -13.955 1.00 62.24 H new ATOM 0 HB3 PHE A 44 -5.330 -1.846 -15.606 1.00 62.24 H new ATOM 0 HD1 PHE A 44 -8.050 -2.667 -15.563 1.00 21.11 H new ATOM 0 HD2 PHE A 44 -6.157 0.250 -13.103 1.00 74.44 H new ATOM 0 HE1 PHE A 44 -10.211 -1.551 -15.226 1.00 31.01 H new ATOM 0 HE2 PHE A 44 -8.317 1.368 -12.763 1.00 74.12 H new ATOM 0 HZ PHE A 44 -10.352 0.468 -13.822 1.00 40.50 H new ATOM 725 N ALA A 45 -4.004 -5.207 -14.535 1.00 4.21 N ATOM 726 CA ALA A 45 -3.033 -6.006 -15.274 1.00 61.10 C ATOM 727 C ALA A 45 -1.877 -5.143 -15.769 1.00 41.51 C ATOM 728 O ALA A 45 -1.133 -5.541 -16.666 1.00 0.34 O ATOM 729 CB ALA A 45 -3.707 -6.710 -16.441 1.00 34.33 C ATOM 0 H ALA A 45 -4.122 -5.481 -13.560 1.00 4.21 H new ATOM 0 HA ALA A 45 -2.627 -6.758 -14.597 1.00 61.10 H new ATOM 0 HB1 ALA A 45 -2.970 -7.302 -16.983 1.00 34.33 H new ATOM 0 HB2 ALA A 45 -4.494 -7.364 -16.066 1.00 34.33 H new ATOM 0 HB3 ALA A 45 -4.141 -5.968 -17.112 1.00 34.33 H new ATOM 735 N VAL A 46 -1.732 -3.961 -15.180 1.00 5.44 N ATOM 736 CA VAL A 46 -0.665 -3.042 -15.562 1.00 13.31 C ATOM 737 C VAL A 46 0.379 -2.924 -14.458 1.00 23.13 C ATOM 738 O VAL A 46 0.098 -2.410 -13.377 1.00 53.22 O ATOM 739 CB VAL A 46 -1.219 -1.641 -15.883 1.00 42.54 C ATOM 740 CG1 VAL A 46 -0.083 -0.653 -16.095 1.00 0.32 C ATOM 741 CG2 VAL A 46 -2.126 -1.695 -17.104 1.00 72.34 C ATOM 0 H VAL A 46 -2.339 -3.616 -14.436 1.00 5.44 H new ATOM 0 HA VAL A 46 -0.198 -3.453 -16.457 1.00 13.31 H new ATOM 0 HB VAL A 46 -1.811 -1.299 -15.034 1.00 42.54 H new ATOM 0 HG11 VAL A 46 -0.494 0.331 -16.321 1.00 0.32 H new ATOM 0 HG12 VAL A 46 0.522 -0.595 -15.190 1.00 0.32 H new ATOM 0 HG13 VAL A 46 0.538 -0.986 -16.926 1.00 0.32 H new ATOM 0 HG21 VAL A 46 -2.509 -0.697 -17.317 1.00 72.34 H new ATOM 0 HG22 VAL A 46 -1.560 -2.057 -17.962 1.00 72.34 H new ATOM 0 HG23 VAL A 46 -2.960 -2.369 -16.908 1.00 72.34 H new ATOM 751 N ASN A 47 1.587 -3.402 -14.739 1.00 14.34 N ATOM 752 CA ASN A 47 2.675 -3.350 -13.770 1.00 20.31 C ATOM 753 C ASN A 47 2.954 -1.912 -13.344 1.00 65.44 C ATOM 754 O ASN A 47 2.999 -0.992 -14.163 1.00 52.54 O ATOM 755 CB ASN A 47 3.941 -3.974 -14.359 1.00 50.41 C ATOM 756 CG ASN A 47 4.470 -5.116 -13.512 1.00 11.23 C ATOM 757 OD1 ASN A 47 5.554 -5.027 -12.936 1.00 20.51 O ATOM 758 ND2 ASN A 47 3.705 -6.198 -13.434 1.00 53.14 N ATOM 0 H ASN A 47 1.837 -3.830 -15.631 1.00 14.34 H new ATOM 0 HA ASN A 47 2.373 -3.919 -12.891 1.00 20.31 H new ATOM 0 HB2 ASN A 47 3.729 -4.338 -15.364 1.00 50.41 H new ATOM 0 HB3 ASN A 47 4.711 -3.208 -14.453 1.00 50.41 H new ATOM 0 HD21 ASN A 47 4.009 -6.999 -12.880 1.00 53.14 H new ATOM 0 HD22 ASN A 47 2.813 -6.229 -13.928 1.00 53.14 H new ATOM 765 N PRO A 48 3.151 -1.710 -12.033 1.00 55.04 N ATOM 766 CA PRO A 48 3.430 -0.387 -11.467 1.00 63.30 C ATOM 767 C PRO A 48 4.814 0.126 -11.851 1.00 33.25 C ATOM 768 O PRO A 48 5.172 1.263 -11.546 1.00 13.04 O ATOM 769 CB PRO A 48 3.347 -0.621 -9.957 1.00 2.41 C ATOM 770 CG PRO A 48 3.656 -2.068 -9.780 1.00 25.20 C ATOM 771 CD PRO A 48 3.112 -2.760 -11.000 1.00 62.42 C ATOM 0 HA PRO A 48 2.734 0.368 -11.833 1.00 63.30 H new ATOM 0 HB2 PRO A 48 4.060 0.005 -9.420 1.00 2.41 H new ATOM 0 HB3 PRO A 48 2.356 -0.378 -9.573 1.00 2.41 H new ATOM 0 HG2 PRO A 48 4.730 -2.229 -9.686 1.00 25.20 H new ATOM 0 HG3 PRO A 48 3.195 -2.457 -8.872 1.00 25.20 H new ATOM 0 HD2 PRO A 48 3.720 -3.621 -11.279 1.00 62.42 H new ATOM 0 HD3 PRO A 48 2.098 -3.125 -10.836 1.00 62.42 H new ATOM 779 N GLY A 49 5.588 -0.720 -12.524 1.00 1.34 N ATOM 780 CA GLY A 49 6.924 -0.333 -12.939 1.00 51.10 C ATOM 781 C GLY A 49 6.911 0.749 -14.000 1.00 20.15 C ATOM 782 O GLY A 49 7.919 1.419 -14.228 1.00 1.12 O ATOM 0 H GLY A 49 5.314 -1.666 -12.789 1.00 1.34 H new ATOM 0 HA2 GLY A 49 7.483 0.019 -12.072 1.00 51.10 H new ATOM 0 HA3 GLY A 49 7.449 -1.207 -13.323 1.00 51.10 H new ATOM 786 N LEU A 50 5.766 0.921 -14.653 1.00 21.30 N ATOM 787 CA LEU A 50 5.626 1.929 -15.698 1.00 33.42 C ATOM 788 C LEU A 50 5.594 3.332 -15.101 1.00 64.41 C ATOM 789 O LEU A 50 5.616 4.328 -15.825 1.00 63.31 O ATOM 790 CB LEU A 50 4.353 1.679 -16.508 1.00 60.14 C ATOM 791 CG LEU A 50 4.115 0.236 -16.956 1.00 31.13 C ATOM 792 CD1 LEU A 50 2.721 0.083 -17.545 1.00 5.22 C ATOM 793 CD2 LEU A 50 5.173 -0.189 -17.964 1.00 13.24 C ATOM 0 H LEU A 50 4.922 0.376 -14.477 1.00 21.30 H new ATOM 0 HA LEU A 50 6.490 1.854 -16.358 1.00 33.42 H new ATOM 0 HB2 LEU A 50 3.498 1.999 -15.912 1.00 60.14 H new ATOM 0 HB3 LEU A 50 4.379 2.314 -17.394 1.00 60.14 H new ATOM 0 HG LEU A 50 4.191 -0.413 -16.084 1.00 31.13 H new ATOM 0 HD11 LEU A 50 2.570 -0.950 -17.858 1.00 5.22 H new ATOM 0 HD12 LEU A 50 1.977 0.347 -16.793 1.00 5.22 H new ATOM 0 HD13 LEU A 50 2.616 0.742 -18.406 1.00 5.22 H new ATOM 0 HD21 LEU A 50 4.989 -1.218 -18.272 1.00 13.24 H new ATOM 0 HD22 LEU A 50 5.129 0.464 -18.835 1.00 13.24 H new ATOM 0 HD23 LEU A 50 6.160 -0.118 -17.507 1.00 13.24 H new ATOM 805 N LEU A 51 5.546 3.404 -13.775 1.00 73.42 N ATOM 806 CA LEU A 51 5.513 4.686 -13.078 1.00 20.14 C ATOM 807 C LEU A 51 6.920 5.251 -12.913 1.00 3.51 C ATOM 808 O LEU A 51 7.095 6.440 -12.650 1.00 24.00 O ATOM 809 CB LEU A 51 4.850 4.528 -11.709 1.00 32.30 C ATOM 810 CG LEU A 51 3.383 4.095 -11.720 1.00 63.21 C ATOM 811 CD1 LEU A 51 2.935 3.695 -10.324 1.00 41.33 C ATOM 812 CD2 LEU A 51 2.502 5.209 -12.267 1.00 52.30 C ATOM 0 H LEU A 51 5.529 2.590 -13.161 1.00 73.42 H new ATOM 0 HA LEU A 51 4.929 5.384 -13.678 1.00 20.14 H new ATOM 0 HB2 LEU A 51 5.419 3.798 -11.134 1.00 32.30 H new ATOM 0 HB3 LEU A 51 4.924 5.478 -11.180 1.00 32.30 H new ATOM 0 HG LEU A 51 3.284 3.228 -12.373 1.00 63.21 H new ATOM 0 HD11 LEU A 51 1.889 3.390 -10.351 1.00 41.33 H new ATOM 0 HD12 LEU A 51 3.546 2.865 -9.970 1.00 41.33 H new ATOM 0 HD13 LEU A 51 3.048 4.543 -9.649 1.00 41.33 H new ATOM 0 HD21 LEU A 51 1.462 4.883 -12.267 1.00 52.30 H new ATOM 0 HD22 LEU A 51 2.605 6.095 -11.640 1.00 52.30 H new ATOM 0 HD23 LEU A 51 2.808 5.448 -13.286 1.00 52.30 H new ATOM 824 N GLU A 52 7.921 4.388 -13.070 1.00 22.22 N ATOM 825 CA GLU A 52 9.313 4.803 -12.939 1.00 72.13 C ATOM 826 C GLU A 52 9.935 5.062 -14.307 1.00 22.42 C ATOM 827 O GLU A 52 11.130 4.843 -14.512 1.00 73.41 O ATOM 828 CB GLU A 52 10.117 3.735 -12.195 1.00 65.22 C ATOM 829 CG GLU A 52 10.262 2.434 -12.966 1.00 52.33 C ATOM 830 CD GLU A 52 11.631 1.806 -12.799 1.00 11.33 C ATOM 831 OE1 GLU A 52 12.628 2.557 -12.767 1.00 31.33 O ATOM 832 OE2 GLU A 52 11.707 0.563 -12.701 1.00 54.22 O ATOM 0 H GLU A 52 7.793 3.400 -13.288 1.00 22.22 H new ATOM 0 HA GLU A 52 9.337 5.731 -12.368 1.00 72.13 H new ATOM 0 HB2 GLU A 52 11.109 4.128 -11.973 1.00 65.22 H new ATOM 0 HB3 GLU A 52 9.635 3.529 -11.239 1.00 65.22 H new ATOM 0 HG2 GLU A 52 9.500 1.730 -12.630 1.00 52.33 H new ATOM 0 HG3 GLU A 52 10.079 2.621 -14.024 1.00 52.33 H new ATOM 839 N THR A 53 9.115 5.531 -15.244 1.00 0.32 N ATOM 840 CA THR A 53 9.583 5.819 -16.594 1.00 34.23 C ATOM 841 C THR A 53 8.580 6.682 -17.351 1.00 51.12 C ATOM 842 O THR A 53 7.493 6.223 -17.703 1.00 2.45 O ATOM 843 CB THR A 53 9.833 4.524 -17.390 1.00 33.51 C ATOM 844 OG1 THR A 53 9.846 4.807 -18.794 1.00 45.14 O ATOM 845 CG2 THR A 53 8.762 3.487 -17.088 1.00 64.33 C ATOM 0 H THR A 53 8.124 5.719 -15.092 1.00 0.32 H new ATOM 0 HA THR A 53 10.523 6.362 -16.494 1.00 34.23 H new ATOM 0 HB THR A 53 10.801 4.122 -17.091 1.00 33.51 H new ATOM 0 HG1 THR A 53 9.546 4.017 -19.290 1.00 45.14 H new ATOM 0 HG21 THR A 53 8.960 2.582 -17.662 1.00 64.33 H new ATOM 0 HG22 THR A 53 8.773 3.252 -16.024 1.00 64.33 H new ATOM 0 HG23 THR A 53 7.784 3.883 -17.362 1.00 64.33 H new ATOM 853 N SER A 54 8.952 7.934 -17.598 1.00 73.31 N ATOM 854 CA SER A 54 8.082 8.862 -18.311 1.00 34.14 C ATOM 855 C SER A 54 7.555 8.234 -19.598 1.00 61.33 C ATOM 856 O SER A 54 6.435 8.515 -20.024 1.00 23.23 O ATOM 857 CB SER A 54 8.836 10.155 -18.633 1.00 14.10 C ATOM 858 OG SER A 54 7.985 11.283 -18.519 1.00 10.40 O ATOM 0 H SER A 54 9.849 8.329 -17.315 1.00 73.31 H new ATOM 0 HA SER A 54 7.234 9.094 -17.667 1.00 34.14 H new ATOM 0 HB2 SER A 54 9.683 10.264 -17.955 1.00 14.10 H new ATOM 0 HB3 SER A 54 9.241 10.102 -19.644 1.00 14.10 H new ATOM 0 HG SER A 54 8.490 12.096 -18.728 1.00 10.40 H new ATOM 864 N GLU A 55 8.371 7.383 -20.211 1.00 55.42 N ATOM 865 CA GLU A 55 7.987 6.715 -21.449 1.00 4.31 C ATOM 866 C GLU A 55 7.009 5.576 -21.173 1.00 61.00 C ATOM 867 O GLU A 55 6.092 5.328 -21.954 1.00 43.42 O ATOM 868 CB GLU A 55 9.225 6.175 -22.168 1.00 31.11 C ATOM 869 CG GLU A 55 9.553 6.916 -23.453 1.00 1.04 C ATOM 870 CD GLU A 55 10.040 8.330 -23.205 1.00 72.25 C ATOM 871 OE1 GLU A 55 10.242 8.689 -22.026 1.00 24.11 O ATOM 872 OE2 GLU A 55 10.216 9.078 -24.189 1.00 23.32 O ATOM 0 H GLU A 55 9.301 7.140 -19.871 1.00 55.42 H new ATOM 0 HA GLU A 55 7.494 7.447 -22.088 1.00 4.31 H new ATOM 0 HB2 GLU A 55 10.081 6.235 -21.495 1.00 31.11 H new ATOM 0 HB3 GLU A 55 9.072 5.120 -22.396 1.00 31.11 H new ATOM 0 HG2 GLU A 55 10.317 6.364 -24.001 1.00 1.04 H new ATOM 0 HG3 GLU A 55 8.666 6.947 -24.086 1.00 1.04 H new ATOM 879 N GLY A 56 7.214 4.887 -20.054 1.00 10.31 N ATOM 880 CA GLY A 56 6.344 3.783 -19.694 1.00 54.20 C ATOM 881 C GLY A 56 5.012 4.250 -19.142 1.00 14.21 C ATOM 882 O GLY A 56 4.001 3.557 -19.269 1.00 45.32 O ATOM 0 H GLY A 56 7.966 5.074 -19.391 1.00 10.31 H new ATOM 0 HA2 GLY A 56 6.172 3.159 -20.571 1.00 54.20 H new ATOM 0 HA3 GLY A 56 6.842 3.159 -18.952 1.00 54.20 H new ATOM 886 N CYS A 57 5.009 5.427 -18.526 1.00 32.32 N ATOM 887 CA CYS A 57 3.791 5.985 -17.950 1.00 34.54 C ATOM 888 C CYS A 57 2.742 6.232 -19.030 1.00 73.30 C ATOM 889 O CYS A 57 1.541 6.146 -18.774 1.00 64.43 O ATOM 890 CB CYS A 57 4.101 7.290 -17.216 1.00 61.34 C ATOM 891 SG CYS A 57 3.803 7.223 -15.433 1.00 34.11 S ATOM 0 H CYS A 57 5.836 6.013 -18.413 1.00 32.32 H new ATOM 0 HA CYS A 57 3.391 5.262 -17.239 1.00 34.54 H new ATOM 0 HB2 CYS A 57 5.144 7.553 -17.390 1.00 61.34 H new ATOM 0 HB3 CYS A 57 3.496 8.088 -17.645 1.00 61.34 H new ATOM 0 HG CYS A 57 4.096 8.372 -14.901 1.00 34.11 H new ATOM 897 N ARG A 58 3.204 6.542 -20.237 1.00 45.53 N ATOM 898 CA ARG A 58 2.306 6.804 -21.354 1.00 23.32 C ATOM 899 C ARG A 58 1.402 5.604 -21.620 1.00 65.42 C ATOM 900 O ARG A 58 0.256 5.760 -22.038 1.00 1.03 O ATOM 901 CB ARG A 58 3.109 7.140 -22.613 1.00 13.24 C ATOM 902 CG ARG A 58 2.737 8.477 -23.234 1.00 64.41 C ATOM 903 CD ARG A 58 3.706 8.865 -24.341 1.00 74.35 C ATOM 904 NE ARG A 58 3.421 10.194 -24.875 1.00 34.14 N ATOM 905 CZ ARG A 58 4.091 10.740 -25.884 1.00 51.24 C ATOM 906 NH1 ARG A 58 5.079 10.073 -26.465 1.00 61.02 N ATOM 907 NH2 ARG A 58 3.772 11.954 -26.314 1.00 25.05 N ATOM 0 H ARG A 58 4.195 6.618 -20.466 1.00 45.53 H new ATOM 0 HA ARG A 58 1.680 7.657 -21.091 1.00 23.32 H new ATOM 0 HB2 ARG A 58 4.171 7.147 -22.366 1.00 13.24 H new ATOM 0 HB3 ARG A 58 2.959 6.352 -23.351 1.00 13.24 H new ATOM 0 HG2 ARG A 58 1.725 8.424 -23.636 1.00 64.41 H new ATOM 0 HG3 ARG A 58 2.734 9.249 -22.464 1.00 64.41 H new ATOM 0 HD2 ARG A 58 4.725 8.840 -23.956 1.00 74.35 H new ATOM 0 HD3 ARG A 58 3.651 8.131 -25.145 1.00 74.35 H new ATOM 0 HE ARG A 58 2.666 10.733 -24.450 1.00 34.14 H new ATOM 0 HH11 ARG A 58 5.326 9.139 -26.137 1.00 61.02 H new ATOM 0 HH12 ARG A 58 5.592 10.494 -27.240 1.00 61.02 H new ATOM 0 HH21 ARG A 58 3.012 12.469 -25.870 1.00 25.05 H new ATOM 0 HH22 ARG A 58 4.287 12.372 -27.089 1.00 25.05 H new ATOM 921 N GLN A 59 1.928 4.408 -21.374 1.00 22.42 N ATOM 922 CA GLN A 59 1.169 3.182 -21.588 1.00 54.43 C ATOM 923 C GLN A 59 -0.084 3.158 -20.718 1.00 61.51 C ATOM 924 O GLN A 59 -1.104 2.583 -21.098 1.00 62.13 O ATOM 925 CB GLN A 59 2.037 1.960 -21.283 1.00 21.31 C ATOM 926 CG GLN A 59 1.875 0.832 -22.290 1.00 34.02 C ATOM 927 CD GLN A 59 3.166 0.505 -23.013 1.00 32.03 C ATOM 928 OE1 GLN A 59 4.248 0.551 -22.427 1.00 1.35 O ATOM 929 NE2 GLN A 59 3.059 0.171 -24.294 1.00 1.42 N ATOM 0 H GLN A 59 2.876 4.262 -21.027 1.00 22.42 H new ATOM 0 HA GLN A 59 0.864 3.152 -22.634 1.00 54.43 H new ATOM 0 HB2 GLN A 59 3.083 2.265 -21.257 1.00 21.31 H new ATOM 0 HB3 GLN A 59 1.789 1.587 -20.289 1.00 21.31 H new ATOM 0 HG2 GLN A 59 1.515 -0.059 -21.776 1.00 34.02 H new ATOM 0 HG3 GLN A 59 1.114 1.108 -23.020 1.00 34.02 H new ATOM 0 HE21 GLN A 59 2.142 0.146 -24.740 1.00 1.42 H new ATOM 0 HE22 GLN A 59 3.894 -0.060 -24.832 1.00 1.42 H new ATOM 938 N ILE A 60 0.000 3.788 -19.551 1.00 63.11 N ATOM 939 CA ILE A 60 -1.127 3.840 -18.629 1.00 73.24 C ATOM 940 C ILE A 60 -2.223 4.762 -19.152 1.00 53.15 C ATOM 941 O ILE A 60 -3.330 4.316 -19.458 1.00 32.52 O ATOM 942 CB ILE A 60 -0.691 4.322 -17.232 1.00 45.14 C ATOM 943 CG1 ILE A 60 0.541 3.543 -16.762 1.00 14.23 C ATOM 944 CG2 ILE A 60 -1.832 4.169 -16.238 1.00 10.44 C ATOM 945 CD1 ILE A 60 1.135 4.072 -15.476 1.00 70.11 C ATOM 0 H ILE A 60 0.837 4.269 -19.222 1.00 63.11 H new ATOM 0 HA ILE A 60 -1.516 2.825 -18.549 1.00 73.24 H new ATOM 0 HB ILE A 60 -0.429 5.378 -17.294 1.00 45.14 H new ATOM 0 HG12 ILE A 60 0.268 2.497 -16.624 1.00 14.23 H new ATOM 0 HG13 ILE A 60 1.300 3.574 -17.543 1.00 14.23 H new ATOM 0 HG21 ILE A 60 -1.508 4.514 -15.256 1.00 10.44 H new ATOM 0 HG22 ILE A 60 -2.684 4.763 -16.568 1.00 10.44 H new ATOM 0 HG23 ILE A 60 -2.123 3.120 -16.176 1.00 10.44 H new ATOM 0 HD11 ILE A 60 2.004 3.473 -15.203 1.00 70.11 H new ATOM 0 HD12 ILE A 60 1.439 5.109 -15.615 1.00 70.11 H new ATOM 0 HD13 ILE A 60 0.391 4.016 -14.681 1.00 70.11 H new ATOM 957 N LEU A 61 -1.908 6.048 -19.252 1.00 73.22 N ATOM 958 CA LEU A 61 -2.867 7.035 -19.740 1.00 0.04 C ATOM 959 C LEU A 61 -3.349 6.677 -21.143 1.00 14.20 C ATOM 960 O LEU A 61 -4.507 6.907 -21.489 1.00 13.44 O ATOM 961 CB LEU A 61 -2.236 8.428 -19.746 1.00 61.11 C ATOM 962 CG LEU A 61 -1.691 8.924 -18.406 1.00 42.55 C ATOM 963 CD1 LEU A 61 -0.569 9.926 -18.623 1.00 73.41 C ATOM 964 CD2 LEU A 61 -2.805 9.540 -17.572 1.00 41.30 C ATOM 0 H LEU A 61 -0.997 6.433 -19.002 1.00 73.22 H new ATOM 0 HA LEU A 61 -3.726 7.035 -19.069 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -1.422 8.433 -20.471 1.00 61.11 H new ATOM 0 HB3 LEU A 61 -2.981 9.141 -20.099 1.00 61.11 H new ATOM 0 HG LEU A 61 -1.287 8.070 -17.862 1.00 42.55 H new ATOM 0 HD11 LEU A 61 -0.194 10.267 -17.658 1.00 73.41 H new ATOM 0 HD12 LEU A 61 0.240 9.452 -19.179 1.00 73.41 H new ATOM 0 HD13 LEU A 61 -0.947 10.778 -19.188 1.00 73.41 H new ATOM 0 HD21 LEU A 61 -2.399 9.887 -16.622 1.00 41.30 H new ATOM 0 HD22 LEU A 61 -3.240 10.382 -18.111 1.00 41.30 H new ATOM 0 HD23 LEU A 61 -3.576 8.792 -17.385 1.00 41.30 H new ATOM 976 N GLY A 62 -2.452 6.111 -21.945 1.00 34.50 N ATOM 977 CA GLY A 62 -2.806 5.729 -23.300 1.00 63.34 C ATOM 978 C GLY A 62 -3.875 4.656 -23.338 1.00 15.42 C ATOM 979 O GLY A 62 -4.480 4.411 -24.383 1.00 61.34 O ATOM 0 H GLY A 62 -1.487 5.910 -21.681 1.00 34.50 H new ATOM 0 HA2 GLY A 62 -3.157 6.607 -23.842 1.00 63.34 H new ATOM 0 HA3 GLY A 62 -1.916 5.370 -23.817 1.00 63.34 H new ATOM 983 N GLN A 63 -4.108 4.013 -22.199 1.00 34.01 N ATOM 984 CA GLN A 63 -5.111 2.957 -22.108 1.00 20.44 C ATOM 985 C GLN A 63 -6.439 3.510 -21.603 1.00 62.11 C ATOM 986 O GLN A 63 -7.499 3.208 -22.152 1.00 33.23 O ATOM 987 CB GLN A 63 -4.624 1.841 -21.184 1.00 64.02 C ATOM 988 CG GLN A 63 -4.004 0.666 -21.922 1.00 11.21 C ATOM 989 CD GLN A 63 -4.805 -0.612 -21.765 1.00 32.54 C ATOM 990 OE1 GLN A 63 -5.506 -1.034 -22.684 1.00 13.44 O ATOM 991 NE2 GLN A 63 -4.705 -1.233 -20.596 1.00 1.20 N ATOM 0 H GLN A 63 -3.616 4.204 -21.326 1.00 34.01 H new ATOM 0 HA GLN A 63 -5.265 2.549 -23.107 1.00 20.44 H new ATOM 0 HB2 GLN A 63 -3.891 2.250 -20.489 1.00 64.02 H new ATOM 0 HB3 GLN A 63 -5.463 1.483 -20.588 1.00 64.02 H new ATOM 0 HG2 GLN A 63 -3.921 0.910 -22.981 1.00 11.21 H new ATOM 0 HG3 GLN A 63 -2.992 0.503 -21.552 1.00 11.21 H new ATOM 0 HE21 GLN A 63 -4.111 -0.846 -19.862 1.00 1.20 H new ATOM 0 HE22 GLN A 63 -5.222 -2.097 -20.432 1.00 1.20 H new ATOM 1000 N LEU A 64 -6.374 4.322 -20.552 1.00 31.22 N ATOM 1001 CA LEU A 64 -7.572 4.918 -19.971 1.00 14.43 C ATOM 1002 C LEU A 64 -8.114 6.031 -20.862 1.00 21.44 C ATOM 1003 O LEU A 64 -9.323 6.247 -20.937 1.00 53.33 O ATOM 1004 CB LEU A 64 -7.268 5.467 -18.577 1.00 0.11 C ATOM 1005 CG LEU A 64 -6.618 4.489 -17.597 1.00 0.14 C ATOM 1006 CD1 LEU A 64 -6.297 5.183 -16.283 1.00 20.01 C ATOM 1007 CD2 LEU A 64 -7.524 3.289 -17.361 1.00 14.34 C ATOM 0 H LEU A 64 -5.505 4.582 -20.086 1.00 31.22 H new ATOM 0 HA LEU A 64 -8.332 4.141 -19.890 1.00 14.43 H new ATOM 0 HB2 LEU A 64 -6.613 6.332 -18.684 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -8.199 5.825 -18.138 1.00 0.11 H new ATOM 0 HG LEU A 64 -5.685 4.134 -18.034 1.00 0.14 H new ATOM 0 HD11 LEU A 64 -5.835 4.471 -15.599 1.00 20.01 H new ATOM 0 HD12 LEU A 64 -5.609 6.009 -16.466 1.00 20.01 H new ATOM 0 HD13 LEU A 64 -7.216 5.568 -15.841 1.00 20.01 H new ATOM 0 HD21 LEU A 64 -7.045 2.604 -16.661 1.00 14.34 H new ATOM 0 HD22 LEU A 64 -8.474 3.626 -16.946 1.00 14.34 H new ATOM 0 HD23 LEU A 64 -7.702 2.776 -18.306 1.00 14.34 H new ATOM 1019 N GLN A 65 -7.209 6.735 -21.537 1.00 75.03 N ATOM 1020 CA GLN A 65 -7.597 7.826 -22.423 1.00 12.41 C ATOM 1021 C GLN A 65 -8.788 7.426 -23.289 1.00 45.22 C ATOM 1022 O GLN A 65 -9.851 8.046 -23.249 1.00 21.33 O ATOM 1023 CB GLN A 65 -6.420 8.232 -23.311 1.00 63.32 C ATOM 1024 CG GLN A 65 -6.839 8.778 -24.666 1.00 20.11 C ATOM 1025 CD GLN A 65 -5.706 9.478 -25.390 1.00 62.55 C ATOM 1026 OE1 GLN A 65 -5.762 10.684 -25.635 1.00 61.44 O ATOM 1027 NE2 GLN A 65 -4.669 8.726 -25.735 1.00 41.30 N ATOM 0 H GLN A 65 -6.204 6.569 -21.487 1.00 75.03 H new ATOM 0 HA GLN A 65 -7.888 8.676 -21.806 1.00 12.41 H new ATOM 0 HB2 GLN A 65 -5.828 8.986 -22.792 1.00 63.32 H new ATOM 0 HB3 GLN A 65 -5.774 7.367 -23.461 1.00 63.32 H new ATOM 0 HG2 GLN A 65 -7.209 7.960 -25.284 1.00 20.11 H new ATOM 0 HG3 GLN A 65 -7.665 9.476 -24.532 1.00 20.11 H new ATOM 0 HE21 GLN A 65 -4.664 7.731 -25.512 1.00 41.30 H new ATOM 0 HE22 GLN A 65 -3.876 9.143 -26.223 1.00 41.30 H new ATOM 1036 N PRO A 66 -8.607 6.367 -24.091 1.00 13.24 N ATOM 1037 CA PRO A 66 -9.656 5.862 -24.983 1.00 54.44 C ATOM 1038 C PRO A 66 -10.803 5.210 -24.217 1.00 21.02 C ATOM 1039 O PRO A 66 -11.851 4.910 -24.787 1.00 73.40 O ATOM 1040 CB PRO A 66 -8.926 4.822 -25.837 1.00 3.00 C ATOM 1041 CG PRO A 66 -7.778 4.379 -24.996 1.00 54.05 C ATOM 1042 CD PRO A 66 -7.366 5.580 -24.190 1.00 33.23 C ATOM 0 HA PRO A 66 -10.118 6.662 -25.562 1.00 54.44 H new ATOM 0 HB2 PRO A 66 -9.579 3.986 -26.087 1.00 3.00 H new ATOM 0 HB3 PRO A 66 -8.584 5.252 -26.778 1.00 3.00 H new ATOM 0 HG2 PRO A 66 -8.067 3.553 -24.346 1.00 54.05 H new ATOM 0 HG3 PRO A 66 -6.955 4.024 -25.616 1.00 54.05 H new ATOM 0 HD2 PRO A 66 -6.992 5.295 -23.207 1.00 33.23 H new ATOM 0 HD3 PRO A 66 -6.572 6.142 -24.683 1.00 33.23 H new ATOM 1050 N SER A 67 -10.597 4.994 -22.922 1.00 62.13 N ATOM 1051 CA SER A 67 -11.612 4.376 -22.078 1.00 53.30 C ATOM 1052 C SER A 67 -12.399 5.433 -21.311 1.00 55.34 C ATOM 1053 O SER A 67 -13.392 5.127 -20.649 1.00 73.01 O ATOM 1054 CB SER A 67 -10.965 3.394 -21.099 1.00 4.13 C ATOM 1055 OG SER A 67 -11.881 2.388 -20.704 1.00 5.22 O ATOM 0 H SER A 67 -9.735 5.238 -22.434 1.00 62.13 H new ATOM 0 HA SER A 67 -12.302 3.832 -22.723 1.00 53.30 H new ATOM 0 HB2 SER A 67 -10.093 2.934 -21.564 1.00 4.13 H new ATOM 0 HB3 SER A 67 -10.611 3.933 -20.220 1.00 4.13 H new ATOM 0 HG SER A 67 -11.442 1.773 -20.080 1.00 5.22 H new ATOM 1061 N LEU A 68 -11.948 6.679 -21.402 1.00 33.14 N ATOM 1062 CA LEU A 68 -12.609 7.784 -20.716 1.00 22.12 C ATOM 1063 C LEU A 68 -14.081 7.868 -21.110 1.00 4.44 C ATOM 1064 O LEU A 68 -14.919 8.306 -20.322 1.00 1.23 O ATOM 1065 CB LEU A 68 -11.907 9.105 -21.041 1.00 3.42 C ATOM 1066 CG LEU A 68 -10.596 9.368 -20.299 1.00 10.51 C ATOM 1067 CD1 LEU A 68 -9.750 10.380 -21.054 1.00 25.33 C ATOM 1068 CD2 LEU A 68 -10.872 9.850 -18.883 1.00 74.14 C ATOM 0 H LEU A 68 -11.127 6.950 -21.944 1.00 33.14 H new ATOM 0 HA LEU A 68 -12.549 7.601 -19.643 1.00 22.12 H new ATOM 0 HB2 LEU A 68 -11.707 9.133 -22.112 1.00 3.42 H new ATOM 0 HB3 LEU A 68 -12.595 9.922 -20.823 1.00 3.42 H new ATOM 0 HG LEU A 68 -10.040 8.432 -20.240 1.00 10.51 H new ATOM 0 HD11 LEU A 68 -8.821 10.555 -20.511 1.00 25.33 H new ATOM 0 HD12 LEU A 68 -9.523 9.995 -22.048 1.00 25.33 H new ATOM 0 HD13 LEU A 68 -10.299 11.317 -21.145 1.00 25.33 H new ATOM 0 HD21 LEU A 68 -9.928 10.032 -18.370 1.00 74.14 H new ATOM 0 HD22 LEU A 68 -11.449 10.774 -18.919 1.00 74.14 H new ATOM 0 HD23 LEU A 68 -11.437 9.090 -18.344 1.00 74.14 H new ATOM 1080 N GLN A 69 -14.386 7.444 -22.332 1.00 42.41 N ATOM 1081 CA GLN A 69 -15.757 7.469 -22.828 1.00 70.01 C ATOM 1082 C GLN A 69 -16.704 6.787 -21.847 1.00 12.41 C ATOM 1083 O GLN A 69 -17.767 7.317 -21.522 1.00 25.12 O ATOM 1084 CB GLN A 69 -15.839 6.786 -24.194 1.00 51.31 C ATOM 1085 CG GLN A 69 -17.112 7.108 -24.960 1.00 33.20 C ATOM 1086 CD GLN A 69 -16.841 7.810 -26.276 1.00 4.30 C ATOM 1087 OE1 GLN A 69 -16.230 8.879 -26.308 1.00 35.34 O ATOM 1088 NE2 GLN A 69 -17.292 7.211 -27.371 1.00 3.43 N ATOM 0 H GLN A 69 -13.703 7.079 -22.996 1.00 42.41 H new ATOM 0 HA GLN A 69 -16.061 8.511 -22.931 1.00 70.01 H new ATOM 0 HB2 GLN A 69 -14.979 7.086 -24.793 1.00 51.31 H new ATOM 0 HB3 GLN A 69 -15.771 5.707 -24.056 1.00 51.31 H new ATOM 0 HG2 GLN A 69 -17.659 6.185 -25.151 1.00 33.20 H new ATOM 0 HG3 GLN A 69 -17.753 7.737 -24.343 1.00 33.20 H new ATOM 0 HE21 GLN A 69 -17.793 6.326 -27.298 1.00 3.43 H new ATOM 0 HE22 GLN A 69 -17.137 7.636 -28.285 1.00 3.43 H new ATOM 1097 N THR A 70 -16.312 5.606 -21.377 1.00 20.22 N ATOM 1098 CA THR A 70 -17.127 4.850 -20.433 1.00 21.35 C ATOM 1099 C THR A 70 -16.292 4.363 -19.255 1.00 50.11 C ATOM 1100 O THR A 70 -16.381 3.202 -18.858 1.00 52.05 O ATOM 1101 CB THR A 70 -17.794 3.639 -21.113 1.00 62.55 C ATOM 1102 OG1 THR A 70 -17.954 3.889 -22.513 1.00 24.55 O ATOM 1103 CG2 THR A 70 -19.149 3.347 -20.487 1.00 44.11 C ATOM 0 H THR A 70 -15.435 5.153 -21.635 1.00 20.22 H new ATOM 0 HA THR A 70 -17.902 5.525 -20.070 1.00 21.35 H new ATOM 0 HB THR A 70 -17.150 2.771 -20.971 1.00 62.55 H new ATOM 0 HG1 THR A 70 -18.377 3.114 -22.938 1.00 24.55 H new ATOM 0 HG21 THR A 70 -19.601 2.488 -20.983 1.00 44.11 H new ATOM 0 HG22 THR A 70 -19.020 3.128 -19.427 1.00 44.11 H new ATOM 0 HG23 THR A 70 -19.798 4.215 -20.602 1.00 44.11 H new ATOM 1111 N GLY A 71 -15.481 5.257 -18.699 1.00 33.20 N ATOM 1112 CA GLY A 71 -14.644 4.898 -17.570 1.00 4.12 C ATOM 1113 C GLY A 71 -15.238 5.331 -16.244 1.00 14.25 C ATOM 1114 O GLY A 71 -15.484 6.517 -16.025 1.00 70.01 O ATOM 0 H GLY A 71 -15.389 6.224 -19.010 1.00 33.20 H new ATOM 0 HA2 GLY A 71 -14.495 3.818 -17.562 1.00 4.12 H new ATOM 0 HA3 GLY A 71 -13.662 5.355 -17.691 1.00 4.12 H new ATOM 1118 N SER A 72 -15.474 4.367 -15.360 1.00 23.45 N ATOM 1119 CA SER A 72 -16.049 4.654 -14.051 1.00 34.04 C ATOM 1120 C SER A 72 -15.243 5.727 -13.326 1.00 20.44 C ATOM 1121 O SER A 72 -14.159 6.107 -13.768 1.00 63.51 O ATOM 1122 CB SER A 72 -16.103 3.382 -13.204 1.00 13.53 C ATOM 1123 OG SER A 72 -14.830 2.763 -13.130 1.00 60.44 O ATOM 0 H SER A 72 -15.276 3.380 -15.526 1.00 23.45 H new ATOM 0 HA SER A 72 -17.063 5.025 -14.201 1.00 34.04 H new ATOM 0 HB2 SER A 72 -16.452 3.625 -12.200 1.00 13.53 H new ATOM 0 HB3 SER A 72 -16.825 2.686 -13.633 1.00 13.53 H new ATOM 0 HG SER A 72 -14.891 1.953 -12.582 1.00 60.44 H new ATOM 1129 N GLU A 73 -15.781 6.210 -12.211 1.00 64.52 N ATOM 1130 CA GLU A 73 -15.111 7.240 -11.425 1.00 14.22 C ATOM 1131 C GLU A 73 -13.670 6.844 -11.124 1.00 44.32 C ATOM 1132 O GLU A 73 -12.791 7.698 -11.016 1.00 65.14 O ATOM 1133 CB GLU A 73 -15.868 7.488 -10.117 1.00 10.54 C ATOM 1134 CG GLU A 73 -15.900 8.947 -9.699 1.00 25.13 C ATOM 1135 CD GLU A 73 -17.095 9.279 -8.827 1.00 21.22 C ATOM 1136 OE1 GLU A 73 -17.225 8.669 -7.744 1.00 20.24 O ATOM 1137 OE2 GLU A 73 -17.899 10.147 -9.226 1.00 41.44 O ATOM 0 H GLU A 73 -16.678 5.905 -11.832 1.00 64.52 H new ATOM 0 HA GLU A 73 -15.101 8.159 -12.011 1.00 14.22 H new ATOM 0 HB2 GLU A 73 -16.891 7.128 -10.225 1.00 10.54 H new ATOM 0 HB3 GLU A 73 -15.406 6.902 -9.323 1.00 10.54 H new ATOM 0 HG2 GLU A 73 -14.984 9.186 -9.159 1.00 25.13 H new ATOM 0 HG3 GLU A 73 -15.919 9.576 -10.589 1.00 25.13 H new ATOM 1144 N GLU A 74 -13.435 5.542 -10.989 1.00 41.25 N ATOM 1145 CA GLU A 74 -12.101 5.033 -10.699 1.00 42.31 C ATOM 1146 C GLU A 74 -11.126 5.391 -11.817 1.00 22.03 C ATOM 1147 O GLU A 74 -9.951 5.665 -11.569 1.00 33.30 O ATOM 1148 CB GLU A 74 -12.139 3.515 -10.509 1.00 53.40 C ATOM 1149 CG GLU A 74 -12.098 3.082 -9.052 1.00 62.40 C ATOM 1150 CD GLU A 74 -13.376 2.395 -8.612 1.00 50.32 C ATOM 1151 OE1 GLU A 74 -14.465 2.855 -9.014 1.00 54.53 O ATOM 1152 OE2 GLU A 74 -13.286 1.399 -7.864 1.00 12.15 O ATOM 0 H GLU A 74 -14.152 4.821 -11.076 1.00 41.25 H new ATOM 0 HA GLU A 74 -11.756 5.499 -9.776 1.00 42.31 H new ATOM 0 HB2 GLU A 74 -13.045 3.122 -10.971 1.00 53.40 H new ATOM 0 HB3 GLU A 74 -11.294 3.070 -11.035 1.00 53.40 H new ATOM 0 HG2 GLU A 74 -11.256 2.406 -8.901 1.00 62.40 H new ATOM 0 HG3 GLU A 74 -11.923 3.954 -8.422 1.00 62.40 H new ATOM 1159 N LEU A 75 -11.622 5.385 -13.049 1.00 23.31 N ATOM 1160 CA LEU A 75 -10.796 5.710 -14.208 1.00 12.12 C ATOM 1161 C LEU A 75 -10.409 7.184 -14.206 1.00 74.55 C ATOM 1162 O LEU A 75 -9.292 7.545 -14.578 1.00 51.52 O ATOM 1163 CB LEU A 75 -11.539 5.368 -15.501 1.00 54.23 C ATOM 1164 CG LEU A 75 -10.668 5.124 -16.732 1.00 4.32 C ATOM 1165 CD1 LEU A 75 -11.121 3.873 -17.468 1.00 71.00 C ATOM 1166 CD2 LEU A 75 -10.701 6.331 -17.658 1.00 62.42 C ATOM 0 H LEU A 75 -12.591 5.159 -13.272 1.00 23.31 H new ATOM 0 HA LEU A 75 -9.885 5.115 -14.151 1.00 12.12 H new ATOM 0 HB2 LEU A 75 -12.142 4.477 -15.325 1.00 54.23 H new ATOM 0 HB3 LEU A 75 -12.230 6.181 -15.725 1.00 54.23 H new ATOM 0 HG LEU A 75 -9.640 4.974 -16.401 1.00 4.32 H new ATOM 0 HD11 LEU A 75 -10.489 3.716 -18.342 1.00 71.00 H new ATOM 0 HD12 LEU A 75 -11.043 3.012 -16.804 1.00 71.00 H new ATOM 0 HD13 LEU A 75 -12.157 3.993 -17.786 1.00 71.00 H new ATOM 0 HD21 LEU A 75 -10.075 6.138 -18.529 1.00 62.42 H new ATOM 0 HD22 LEU A 75 -11.726 6.514 -17.981 1.00 62.42 H new ATOM 0 HD23 LEU A 75 -10.326 7.207 -17.128 1.00 62.42 H new ATOM 1178 N ARG A 76 -11.339 8.034 -13.780 1.00 31.21 N ATOM 1179 CA ARG A 76 -11.095 9.471 -13.728 1.00 1.53 C ATOM 1180 C ARG A 76 -9.962 9.795 -12.759 1.00 5.14 C ATOM 1181 O ARG A 76 -8.964 10.410 -13.138 1.00 71.31 O ATOM 1182 CB ARG A 76 -12.366 10.211 -13.308 1.00 61.23 C ATOM 1183 CG ARG A 76 -13.054 10.936 -14.453 1.00 54.11 C ATOM 1184 CD ARG A 76 -13.350 12.385 -14.097 1.00 62.24 C ATOM 1185 NE ARG A 76 -13.998 13.097 -15.195 1.00 2.02 N ATOM 1186 CZ ARG A 76 -14.144 14.417 -15.229 1.00 32.35 C ATOM 1187 NH1 ARG A 76 -13.692 15.165 -14.232 1.00 2.44 N ATOM 1188 NH2 ARG A 76 -14.745 14.992 -16.264 1.00 41.03 N ATOM 0 H ARG A 76 -12.268 7.752 -13.466 1.00 31.21 H new ATOM 0 HA ARG A 76 -10.803 9.801 -14.725 1.00 1.53 H new ATOM 0 HB2 ARG A 76 -13.064 9.498 -12.869 1.00 61.23 H new ATOM 0 HB3 ARG A 76 -12.116 10.932 -12.530 1.00 61.23 H new ATOM 0 HG2 ARG A 76 -12.422 10.900 -15.340 1.00 54.11 H new ATOM 0 HG3 ARG A 76 -13.983 10.424 -14.703 1.00 54.11 H new ATOM 0 HD2 ARG A 76 -13.990 12.418 -13.216 1.00 62.24 H new ATOM 0 HD3 ARG A 76 -12.421 12.891 -13.835 1.00 62.24 H new ATOM 0 HE ARG A 76 -14.358 12.551 -15.978 1.00 2.02 H new ATOM 0 HH11 ARG A 76 -13.230 14.727 -13.435 1.00 2.44 H new ATOM 0 HH12 ARG A 76 -13.806 16.178 -14.262 1.00 2.44 H new ATOM 0 HH21 ARG A 76 -15.095 14.420 -17.033 1.00 41.03 H new ATOM 0 HH22 ARG A 76 -14.857 16.005 -16.290 1.00 41.03 H new ATOM 1202 N SER A 77 -10.121 9.376 -11.508 1.00 10.32 N ATOM 1203 CA SER A 77 -9.114 9.625 -10.484 1.00 24.51 C ATOM 1204 C SER A 77 -7.735 9.176 -10.958 1.00 71.12 C ATOM 1205 O SER A 77 -6.759 9.922 -10.865 1.00 60.45 O ATOM 1206 CB SER A 77 -9.482 8.899 -9.189 1.00 10.50 C ATOM 1207 OG SER A 77 -10.436 9.635 -8.444 1.00 54.03 O ATOM 0 H SER A 77 -10.938 8.862 -11.179 1.00 10.32 H new ATOM 0 HA SER A 77 -9.082 10.698 -10.294 1.00 24.51 H new ATOM 0 HB2 SER A 77 -9.882 7.912 -9.423 1.00 10.50 H new ATOM 0 HB3 SER A 77 -8.586 8.746 -8.587 1.00 10.50 H new ATOM 0 HG SER A 77 -10.655 9.148 -7.622 1.00 54.03 H new ATOM 1213 N LEU A 78 -7.661 7.951 -11.467 1.00 41.34 N ATOM 1214 CA LEU A 78 -6.402 7.400 -11.957 1.00 64.24 C ATOM 1215 C LEU A 78 -5.802 8.293 -13.038 1.00 4.51 C ATOM 1216 O LEU A 78 -4.651 8.720 -12.937 1.00 43.34 O ATOM 1217 CB LEU A 78 -6.619 5.989 -12.505 1.00 22.15 C ATOM 1218 CG LEU A 78 -6.103 4.843 -11.634 1.00 21.25 C ATOM 1219 CD1 LEU A 78 -4.625 5.027 -11.331 1.00 65.43 C ATOM 1220 CD2 LEU A 78 -6.907 4.749 -10.346 1.00 62.24 C ATOM 0 H LEU A 78 -8.458 7.320 -11.551 1.00 41.34 H new ATOM 0 HA LEU A 78 -5.704 7.354 -11.121 1.00 64.24 H new ATOM 0 HB2 LEU A 78 -7.687 5.844 -12.666 1.00 22.15 H new ATOM 0 HB3 LEU A 78 -6.138 5.922 -13.481 1.00 22.15 H new ATOM 0 HG LEU A 78 -6.226 3.910 -12.184 1.00 21.25 H new ATOM 0 HD11 LEU A 78 -4.275 4.202 -10.710 1.00 65.43 H new ATOM 0 HD12 LEU A 78 -4.062 5.043 -12.264 1.00 65.43 H new ATOM 0 HD13 LEU A 78 -4.477 5.968 -10.801 1.00 65.43 H new ATOM 0 HD21 LEU A 78 -6.526 3.928 -9.738 1.00 62.24 H new ATOM 0 HD22 LEU A 78 -6.817 5.683 -9.792 1.00 62.24 H new ATOM 0 HD23 LEU A 78 -7.955 4.568 -10.584 1.00 62.24 H new ATOM 1232 N TYR A 79 -6.588 8.572 -14.071 1.00 63.21 N ATOM 1233 CA TYR A 79 -6.134 9.414 -15.172 1.00 44.43 C ATOM 1234 C TYR A 79 -5.560 10.728 -14.651 1.00 23.11 C ATOM 1235 O TYR A 79 -4.403 11.060 -14.912 1.00 51.43 O ATOM 1236 CB TYR A 79 -7.287 9.695 -16.136 1.00 1.03 C ATOM 1237 CG TYR A 79 -6.837 9.993 -17.548 1.00 21.15 C ATOM 1238 CD1 TYR A 79 -6.057 9.087 -18.256 1.00 51.21 C ATOM 1239 CD2 TYR A 79 -7.189 11.183 -18.174 1.00 41.24 C ATOM 1240 CE1 TYR A 79 -5.642 9.356 -19.546 1.00 10.04 C ATOM 1241 CE2 TYR A 79 -6.780 11.459 -19.464 1.00 12.01 C ATOM 1242 CZ TYR A 79 -6.007 10.543 -20.146 1.00 10.04 C ATOM 1243 OH TYR A 79 -5.596 10.816 -21.431 1.00 53.41 O ATOM 0 H TYR A 79 -7.543 8.228 -14.170 1.00 63.21 H new ATOM 0 HA TYR A 79 -5.347 8.880 -15.704 1.00 44.43 H new ATOM 0 HB2 TYR A 79 -7.955 8.834 -16.151 1.00 1.03 H new ATOM 0 HB3 TYR A 79 -7.865 10.540 -15.762 1.00 1.03 H new ATOM 0 HD1 TYR A 79 -5.770 8.156 -17.790 1.00 51.21 H new ATOM 0 HD2 TYR A 79 -7.793 11.904 -17.643 1.00 41.24 H new ATOM 0 HE1 TYR A 79 -5.035 8.641 -20.082 1.00 10.04 H new ATOM 0 HE2 TYR A 79 -7.064 12.388 -19.936 1.00 12.01 H new ATOM 0 HH TYR A 79 -5.939 11.692 -21.705 1.00 53.41 H new ATOM 1253 N ASN A 80 -6.377 11.472 -13.913 1.00 24.23 N ATOM 1254 CA ASN A 80 -5.952 12.751 -13.356 1.00 43.24 C ATOM 1255 C ASN A 80 -4.619 12.610 -12.626 1.00 61.32 C ATOM 1256 O ASN A 80 -3.661 13.328 -12.913 1.00 3.31 O ATOM 1257 CB ASN A 80 -7.015 13.292 -12.398 1.00 30.41 C ATOM 1258 CG ASN A 80 -8.045 14.153 -13.106 1.00 5.42 C ATOM 1259 OD1 ASN A 80 -8.494 13.826 -14.204 1.00 3.11 O ATOM 1260 ND2 ASN A 80 -8.424 15.259 -12.476 1.00 21.33 N ATOM 0 H ASN A 80 -7.337 11.211 -13.687 1.00 24.23 H new ATOM 0 HA ASN A 80 -5.823 13.453 -14.180 1.00 43.24 H new ATOM 0 HB2 ASN A 80 -7.517 12.458 -11.908 1.00 30.41 H new ATOM 0 HB3 ASN A 80 -6.532 13.877 -11.616 1.00 30.41 H new ATOM 0 HD21 ASN A 80 -9.115 15.877 -12.902 1.00 21.33 H new ATOM 0 HD22 ASN A 80 -8.025 15.490 -11.566 1.00 21.33 H new ATOM 1267 N THR A 81 -4.565 11.678 -11.678 1.00 33.00 N ATOM 1268 CA THR A 81 -3.352 11.442 -10.906 1.00 23.43 C ATOM 1269 C THR A 81 -2.182 11.084 -11.817 1.00 54.45 C ATOM 1270 O THR A 81 -1.180 11.798 -11.865 1.00 12.42 O ATOM 1271 CB THR A 81 -3.552 10.314 -9.877 1.00 23.41 C ATOM 1272 OG1 THR A 81 -4.680 10.606 -9.044 1.00 5.11 O ATOM 1273 CG2 THR A 81 -2.310 10.142 -9.015 1.00 23.32 C ATOM 0 H THR A 81 -5.348 11.075 -11.427 1.00 33.00 H new ATOM 0 HA THR A 81 -3.127 12.369 -10.378 1.00 23.43 H new ATOM 0 HB THR A 81 -3.731 9.385 -10.418 1.00 23.41 H new ATOM 0 HG1 THR A 81 -5.507 10.436 -9.542 1.00 5.11 H new ATOM 0 HG21 THR A 81 -2.475 9.340 -8.296 1.00 23.32 H new ATOM 0 HG22 THR A 81 -1.459 9.892 -9.649 1.00 23.32 H new ATOM 0 HG23 THR A 81 -2.105 11.071 -8.482 1.00 23.32 H new ATOM 1281 N ILE A 82 -2.317 9.975 -12.535 1.00 51.40 N ATOM 1282 CA ILE A 82 -1.272 9.523 -13.445 1.00 3.20 C ATOM 1283 C ILE A 82 -0.761 10.670 -14.309 1.00 30.33 C ATOM 1284 O ILE A 82 0.446 10.845 -14.477 1.00 14.41 O ATOM 1285 CB ILE A 82 -1.772 8.390 -14.360 1.00 32.02 C ATOM 1286 CG1 ILE A 82 -2.230 7.193 -13.523 1.00 70.44 C ATOM 1287 CG2 ILE A 82 -0.681 7.975 -15.335 1.00 51.20 C ATOM 1288 CD1 ILE A 82 -3.264 6.332 -14.214 1.00 21.35 C ATOM 0 H ILE A 82 -3.140 9.373 -12.504 1.00 51.40 H new ATOM 0 HA ILE A 82 -0.458 9.146 -12.826 1.00 3.20 H new ATOM 0 HB ILE A 82 -2.624 8.756 -14.933 1.00 32.02 H new ATOM 0 HG12 ILE A 82 -1.363 6.579 -13.277 1.00 70.44 H new ATOM 0 HG13 ILE A 82 -2.642 7.555 -12.581 1.00 70.44 H new ATOM 0 HG21 ILE A 82 -1.050 7.173 -15.975 1.00 51.20 H new ATOM 0 HG22 ILE A 82 -0.399 8.829 -15.950 1.00 51.20 H new ATOM 0 HG23 ILE A 82 0.189 7.625 -14.780 1.00 51.20 H new ATOM 0 HD11 ILE A 82 -3.542 5.503 -13.562 1.00 21.35 H new ATOM 0 HD12 ILE A 82 -4.147 6.931 -14.436 1.00 21.35 H new ATOM 0 HD13 ILE A 82 -2.849 5.940 -15.143 1.00 21.35 H new ATOM 1300 N ALA A 83 -1.688 11.452 -14.854 1.00 54.35 N ATOM 1301 CA ALA A 83 -1.332 12.586 -15.697 1.00 74.20 C ATOM 1302 C ALA A 83 -0.284 13.465 -15.022 1.00 14.34 C ATOM 1303 O ALA A 83 0.755 13.768 -15.607 1.00 64.52 O ATOM 1304 CB ALA A 83 -2.571 13.403 -16.033 1.00 3.10 C ATOM 0 H ALA A 83 -2.691 11.320 -14.726 1.00 54.35 H new ATOM 0 HA ALA A 83 -0.903 12.199 -16.621 1.00 74.20 H new ATOM 0 HB1 ALA A 83 -2.290 14.247 -16.663 1.00 3.10 H new ATOM 0 HB2 ALA A 83 -3.287 12.776 -16.564 1.00 3.10 H new ATOM 0 HB3 ALA A 83 -3.024 13.772 -15.113 1.00 3.10 H new ATOM 1310 N VAL A 84 -0.564 13.871 -13.788 1.00 50.53 N ATOM 1311 CA VAL A 84 0.355 14.714 -13.033 1.00 34.03 C ATOM 1312 C VAL A 84 1.721 14.050 -12.892 1.00 53.44 C ATOM 1313 O VAL A 84 2.757 14.699 -13.037 1.00 70.22 O ATOM 1314 CB VAL A 84 -0.197 15.030 -11.630 1.00 33.53 C ATOM 1315 CG1 VAL A 84 0.795 15.876 -10.844 1.00 15.33 C ATOM 1316 CG2 VAL A 84 -1.543 15.731 -11.734 1.00 35.42 C ATOM 0 H VAL A 84 -1.421 13.630 -13.290 1.00 50.53 H new ATOM 0 HA VAL A 84 0.462 15.644 -13.591 1.00 34.03 H new ATOM 0 HB VAL A 84 -0.342 14.092 -11.095 1.00 33.53 H new ATOM 0 HG11 VAL A 84 0.388 16.089 -9.856 1.00 15.33 H new ATOM 0 HG12 VAL A 84 1.734 15.333 -10.740 1.00 15.33 H new ATOM 0 HG13 VAL A 84 0.974 16.812 -11.373 1.00 15.33 H new ATOM 0 HG21 VAL A 84 -1.919 15.947 -10.734 1.00 35.42 H new ATOM 0 HG22 VAL A 84 -1.426 16.663 -12.287 1.00 35.42 H new ATOM 0 HG23 VAL A 84 -2.250 15.086 -12.256 1.00 35.42 H new ATOM 1326 N LEU A 85 1.715 12.752 -12.609 1.00 54.23 N ATOM 1327 CA LEU A 85 2.952 11.998 -12.448 1.00 24.43 C ATOM 1328 C LEU A 85 3.771 12.015 -13.736 1.00 12.23 C ATOM 1329 O LEU A 85 4.953 12.357 -13.728 1.00 2.14 O ATOM 1330 CB LEU A 85 2.647 10.556 -12.044 1.00 55.15 C ATOM 1331 CG LEU A 85 3.557 9.950 -10.975 1.00 21.31 C ATOM 1332 CD1 LEU A 85 2.735 9.406 -9.818 1.00 53.05 C ATOM 1333 CD2 LEU A 85 4.427 8.855 -11.575 1.00 52.24 C ATOM 0 H LEU A 85 0.866 12.200 -12.486 1.00 54.23 H new ATOM 0 HA LEU A 85 3.537 12.472 -11.660 1.00 24.43 H new ATOM 0 HB2 LEU A 85 1.619 10.510 -11.685 1.00 55.15 H new ATOM 0 HB3 LEU A 85 2.702 9.931 -12.935 1.00 55.15 H new ATOM 0 HG LEU A 85 4.208 10.736 -10.592 1.00 21.31 H new ATOM 0 HD11 LEU A 85 3.401 8.979 -9.068 1.00 53.05 H new ATOM 0 HD12 LEU A 85 2.156 10.214 -9.371 1.00 53.05 H new ATOM 0 HD13 LEU A 85 2.058 8.634 -10.184 1.00 53.05 H new ATOM 0 HD21 LEU A 85 5.068 8.435 -10.800 1.00 52.24 H new ATOM 0 HD22 LEU A 85 3.792 8.070 -11.986 1.00 52.24 H new ATOM 0 HD23 LEU A 85 5.045 9.275 -12.369 1.00 52.24 H new ATOM 1345 N TYR A 86 3.133 11.644 -14.840 1.00 54.30 N ATOM 1346 CA TYR A 86 3.801 11.615 -16.136 1.00 53.33 C ATOM 1347 C TYR A 86 4.436 12.966 -16.451 1.00 21.13 C ATOM 1348 O TYR A 86 5.615 13.044 -16.796 1.00 5.42 O ATOM 1349 CB TYR A 86 2.809 11.236 -17.237 1.00 70.12 C ATOM 1350 CG TYR A 86 3.330 11.486 -18.634 1.00 74.32 C ATOM 1351 CD1 TYR A 86 3.132 12.710 -19.261 1.00 61.24 C ATOM 1352 CD2 TYR A 86 4.018 10.499 -19.327 1.00 24.00 C ATOM 1353 CE1 TYR A 86 3.606 12.944 -20.537 1.00 13.33 C ATOM 1354 CE2 TYR A 86 4.496 10.724 -20.603 1.00 4.03 C ATOM 1355 CZ TYR A 86 4.287 11.948 -21.205 1.00 45.51 C ATOM 1356 OH TYR A 86 4.762 12.175 -22.476 1.00 35.01 O ATOM 0 H TYR A 86 2.154 11.359 -14.864 1.00 54.30 H new ATOM 0 HA TYR A 86 4.590 10.864 -16.093 1.00 53.33 H new ATOM 0 HB2 TYR A 86 2.554 10.181 -17.137 1.00 70.12 H new ATOM 0 HB3 TYR A 86 1.888 11.802 -17.095 1.00 70.12 H new ATOM 0 HD1 TYR A 86 2.598 13.492 -18.742 1.00 61.24 H new ATOM 0 HD2 TYR A 86 4.182 9.539 -18.860 1.00 24.00 H new ATOM 0 HE1 TYR A 86 3.444 13.902 -21.009 1.00 13.33 H new ATOM 0 HE2 TYR A 86 5.031 9.946 -21.127 1.00 4.03 H new ATOM 0 HH TYR A 86 5.219 11.372 -22.803 1.00 35.01 H new ATOM 1366 N CYS A 87 3.646 14.026 -16.329 1.00 23.11 N ATOM 1367 CA CYS A 87 4.130 15.375 -16.601 1.00 61.32 C ATOM 1368 C CYS A 87 5.393 15.671 -15.800 1.00 4.32 C ATOM 1369 O CYS A 87 6.416 16.070 -16.357 1.00 22.24 O ATOM 1370 CB CYS A 87 3.048 16.404 -16.267 1.00 32.32 C ATOM 1371 SG CYS A 87 1.944 16.788 -17.648 1.00 45.33 S ATOM 0 H CYS A 87 2.668 13.978 -16.044 1.00 23.11 H new ATOM 0 HA CYS A 87 4.370 15.441 -17.662 1.00 61.32 H new ATOM 0 HB2 CYS A 87 2.453 16.032 -15.433 1.00 32.32 H new ATOM 0 HB3 CYS A 87 3.527 17.324 -15.932 1.00 32.32 H new ATOM 0 HG CYS A 87 1.063 17.665 -17.268 1.00 45.33 H new ATOM 1377 N VAL A 88 5.317 15.475 -14.488 1.00 55.05 N ATOM 1378 CA VAL A 88 6.454 15.721 -13.608 1.00 11.44 C ATOM 1379 C VAL A 88 7.705 15.015 -14.119 1.00 61.00 C ATOM 1380 O VAL A 88 8.799 15.578 -14.102 1.00 30.51 O ATOM 1381 CB VAL A 88 6.164 15.253 -12.171 1.00 74.43 C ATOM 1382 CG1 VAL A 88 7.375 15.483 -11.280 1.00 41.34 C ATOM 1383 CG2 VAL A 88 4.941 15.967 -11.615 1.00 54.21 C ATOM 0 H VAL A 88 4.478 15.146 -14.010 1.00 55.05 H new ATOM 0 HA VAL A 88 6.624 16.798 -13.603 1.00 11.44 H new ATOM 0 HB VAL A 88 5.955 14.183 -12.191 1.00 74.43 H new ATOM 0 HG11 VAL A 88 7.151 15.146 -10.268 1.00 41.34 H new ATOM 0 HG12 VAL A 88 8.225 14.923 -11.669 1.00 41.34 H new ATOM 0 HG13 VAL A 88 7.618 16.545 -11.263 1.00 41.34 H new ATOM 0 HG21 VAL A 88 4.750 15.624 -10.598 1.00 54.21 H new ATOM 0 HG22 VAL A 88 5.119 17.042 -11.608 1.00 54.21 H new ATOM 0 HG23 VAL A 88 4.076 15.747 -12.240 1.00 54.21 H new ATOM 1393 N HIS A 89 7.535 13.777 -14.572 1.00 41.43 N ATOM 1394 CA HIS A 89 8.651 12.991 -15.088 1.00 10.11 C ATOM 1395 C HIS A 89 9.256 13.655 -16.322 1.00 22.13 C ATOM 1396 O HIS A 89 10.478 13.594 -16.455 1.00 62.41 O ATOM 1397 CB HIS A 89 8.190 11.574 -15.432 1.00 61.43 C ATOM 1398 CG HIS A 89 8.372 10.598 -14.311 1.00 1.02 C ATOM 1399 ND1 HIS A 89 9.371 10.711 -13.368 1.00 2.12 N ATOM 1400 CD2 HIS A 89 7.673 9.485 -13.984 1.00 32.35 C ATOM 1401 CE1 HIS A 89 9.279 9.710 -12.511 1.00 43.34 C ATOM 1402 NE2 HIS A 89 8.256 8.952 -12.862 1.00 64.51 N ATOM 0 H HIS A 89 6.636 13.296 -14.592 1.00 41.43 H new ATOM 0 HA HIS A 89 9.415 12.937 -14.313 1.00 10.11 H new ATOM 0 HB2 HIS A 89 7.137 11.601 -15.712 1.00 61.43 H new ATOM 0 HB3 HIS A 89 8.743 11.222 -16.303 1.00 61.43 H new ATOM 0 HD1 HIS A 89 10.072 11.452 -13.337 1.00 2.12 H new ATOM 0 HD2 HIS A 89 6.816 9.090 -14.509 1.00 32.35 H new ATOM 0 HE1 HIS A 89 9.930 9.540 -11.666 1.00 43.34 H new ATOM 0 HE2 HIS A 89 7.949 8.108 -12.378 1.00 64.51 H new ATOM 1411 N GLN A 90 8.462 14.264 -17.197 1.00 3.11 N ATOM 1412 CA GLN A 90 8.994 14.911 -18.390 1.00 3.43 C ATOM 1413 C GLN A 90 9.353 16.366 -18.107 1.00 74.43 C ATOM 1414 O GLN A 90 9.265 17.220 -18.989 1.00 24.20 O ATOM 1415 CB GLN A 90 7.980 14.836 -19.533 1.00 70.25 C ATOM 1416 CG GLN A 90 8.554 14.267 -20.820 1.00 41.54 C ATOM 1417 CD GLN A 90 9.356 15.288 -21.604 1.00 42.12 C ATOM 1418 OE1 GLN A 90 8.972 16.453 -21.701 1.00 13.11 O ATOM 1419 NE2 GLN A 90 10.477 14.854 -22.167 1.00 65.33 N ATOM 0 H GLN A 90 7.448 14.323 -17.102 1.00 3.11 H new ATOM 0 HA GLN A 90 9.901 14.383 -18.684 1.00 3.43 H new ATOM 0 HB2 GLN A 90 7.136 14.222 -19.219 1.00 70.25 H new ATOM 0 HB3 GLN A 90 7.592 15.835 -19.729 1.00 70.25 H new ATOM 0 HG2 GLN A 90 9.191 13.415 -20.583 1.00 41.54 H new ATOM 0 HG3 GLN A 90 7.741 13.894 -21.442 1.00 41.54 H new ATOM 0 HE21 GLN A 90 10.757 13.879 -22.060 1.00 65.33 H new ATOM 0 HE22 GLN A 90 11.058 15.496 -22.706 1.00 65.33 H new ATOM 1428 N ARG A 91 9.756 16.641 -16.871 1.00 52.15 N ATOM 1429 CA ARG A 91 10.126 17.994 -16.471 1.00 54.53 C ATOM 1430 C ARG A 91 8.976 18.967 -16.715 1.00 13.52 C ATOM 1431 O ARG A 91 9.195 20.125 -17.072 1.00 15.44 O ATOM 1432 CB ARG A 91 11.367 18.453 -17.237 1.00 64.24 C ATOM 1433 CG ARG A 91 12.484 17.422 -17.263 1.00 52.23 C ATOM 1434 CD ARG A 91 13.800 18.035 -17.715 1.00 75.21 C ATOM 1435 NE ARG A 91 14.007 17.887 -19.153 1.00 75.53 N ATOM 1436 CZ ARG A 91 14.296 16.731 -19.739 1.00 70.11 C ATOM 1437 NH1 ARG A 91 14.412 15.627 -19.013 1.00 35.25 N ATOM 1438 NH2 ARG A 91 14.471 16.678 -21.053 1.00 55.44 N ATOM 0 H ARG A 91 9.835 15.945 -16.129 1.00 52.15 H new ATOM 0 HA ARG A 91 10.349 17.982 -15.404 1.00 54.53 H new ATOM 0 HB2 ARG A 91 11.083 18.694 -18.261 1.00 64.24 H new ATOM 0 HB3 ARG A 91 11.743 19.372 -16.786 1.00 64.24 H new ATOM 0 HG2 ARG A 91 12.605 16.991 -16.269 1.00 52.23 H new ATOM 0 HG3 ARG A 91 12.212 16.607 -17.934 1.00 52.23 H new ATOM 0 HD2 ARG A 91 13.816 19.093 -17.453 1.00 75.21 H new ATOM 0 HD3 ARG A 91 14.623 17.562 -17.180 1.00 75.21 H new ATOM 0 HE ARG A 91 13.925 18.717 -19.740 1.00 75.53 H new ATOM 0 HH11 ARG A 91 14.279 15.665 -18.002 1.00 35.25 H new ATOM 0 HH12 ARG A 91 14.634 14.740 -19.465 1.00 35.25 H new ATOM 0 HH21 ARG A 91 14.384 17.526 -21.614 1.00 55.44 H new ATOM 0 HH22 ARG A 91 14.693 15.790 -21.503 1.00 55.44 H new ATOM 1452 N ILE A 92 7.751 18.488 -16.522 1.00 41.14 N ATOM 1453 CA ILE A 92 6.568 19.315 -16.720 1.00 51.41 C ATOM 1454 C ILE A 92 5.914 19.667 -15.389 1.00 72.13 C ATOM 1455 O ILE A 92 5.415 18.792 -14.680 1.00 62.31 O ATOM 1456 CB ILE A 92 5.533 18.611 -17.618 1.00 61.13 C ATOM 1457 CG1 ILE A 92 6.210 18.048 -18.869 1.00 54.12 C ATOM 1458 CG2 ILE A 92 4.420 19.575 -18.000 1.00 74.54 C ATOM 1459 CD1 ILE A 92 5.263 17.307 -19.787 1.00 32.11 C ATOM 0 H ILE A 92 7.553 17.531 -16.229 1.00 41.14 H new ATOM 0 HA ILE A 92 6.901 20.229 -17.211 1.00 51.41 H new ATOM 0 HB ILE A 92 5.094 17.783 -17.061 1.00 61.13 H new ATOM 0 HG12 ILE A 92 6.673 18.866 -19.421 1.00 54.12 H new ATOM 0 HG13 ILE A 92 7.012 17.374 -18.566 1.00 54.12 H new ATOM 0 HG21 ILE A 92 3.697 19.063 -18.634 1.00 74.54 H new ATOM 0 HG22 ILE A 92 3.923 19.932 -17.098 1.00 74.54 H new ATOM 0 HG23 ILE A 92 4.842 20.422 -18.541 1.00 74.54 H new ATOM 0 HD11 ILE A 92 5.811 16.936 -20.653 1.00 32.11 H new ATOM 0 HD12 ILE A 92 4.819 16.468 -19.251 1.00 32.11 H new ATOM 0 HD13 ILE A 92 4.475 17.983 -20.119 1.00 32.11 H new ATOM 1471 N ASP A 93 5.917 20.953 -15.056 1.00 50.12 N ATOM 1472 CA ASP A 93 5.321 21.422 -13.810 1.00 21.52 C ATOM 1473 C ASP A 93 3.973 22.088 -14.069 1.00 3.33 C ATOM 1474 O ASP A 93 3.861 22.980 -14.910 1.00 3.32 O ATOM 1475 CB ASP A 93 6.261 22.403 -13.108 1.00 64.31 C ATOM 1476 CG ASP A 93 5.762 22.800 -11.733 1.00 31.33 C ATOM 1477 OD1 ASP A 93 4.701 22.290 -11.317 1.00 62.34 O ATOM 1478 OD2 ASP A 93 6.433 23.621 -11.073 1.00 61.14 O ATOM 0 H ASP A 93 6.325 21.690 -15.631 1.00 50.12 H new ATOM 0 HA ASP A 93 5.161 20.558 -13.165 1.00 21.52 H new ATOM 0 HB2 ASP A 93 7.249 21.952 -13.016 1.00 64.31 H new ATOM 0 HB3 ASP A 93 6.374 23.296 -13.722 1.00 64.31 H new ATOM 1483 N VAL A 94 2.952 21.645 -13.343 1.00 35.41 N ATOM 1484 CA VAL A 94 1.610 22.198 -13.494 1.00 5.10 C ATOM 1485 C VAL A 94 1.113 22.798 -12.185 1.00 71.51 C ATOM 1486 O VAL A 94 1.529 22.385 -11.102 1.00 73.42 O ATOM 1487 CB VAL A 94 0.612 21.125 -13.967 1.00 2.51 C ATOM 1488 CG1 VAL A 94 0.849 20.782 -15.429 1.00 14.52 C ATOM 1489 CG2 VAL A 94 0.714 19.882 -13.096 1.00 45.20 C ATOM 0 H VAL A 94 3.028 20.905 -12.645 1.00 35.41 H new ATOM 0 HA VAL A 94 1.673 22.982 -14.248 1.00 5.10 H new ATOM 0 HB VAL A 94 -0.397 21.526 -13.872 1.00 2.51 H new ATOM 0 HG11 VAL A 94 0.134 20.022 -15.745 1.00 14.52 H new ATOM 0 HG12 VAL A 94 0.720 21.677 -16.038 1.00 14.52 H new ATOM 0 HG13 VAL A 94 1.863 20.401 -15.554 1.00 14.52 H new ATOM 0 HG21 VAL A 94 0.002 19.134 -13.444 1.00 45.20 H new ATOM 0 HG22 VAL A 94 1.724 19.477 -13.157 1.00 45.20 H new ATOM 0 HG23 VAL A 94 0.489 20.143 -12.062 1.00 45.20 H new ATOM 1499 N LYS A 95 0.219 23.775 -12.290 1.00 62.12 N ATOM 1500 CA LYS A 95 -0.339 24.433 -11.115 1.00 24.21 C ATOM 1501 C LYS A 95 -1.207 23.470 -10.313 1.00 73.23 C ATOM 1502 O LYS A 95 -1.023 23.311 -9.105 1.00 31.23 O ATOM 1503 CB LYS A 95 -1.163 25.654 -11.531 1.00 55.25 C ATOM 1504 CG LYS A 95 -0.374 26.678 -12.328 1.00 53.31 C ATOM 1505 CD LYS A 95 -1.216 27.901 -12.652 1.00 64.43 C ATOM 1506 CE LYS A 95 -1.755 27.848 -14.072 1.00 13.11 C ATOM 1507 NZ LYS A 95 -2.397 29.132 -14.471 1.00 11.41 N ATOM 0 H LYS A 95 -0.135 24.129 -13.179 1.00 62.12 H new ATOM 0 HA LYS A 95 0.489 24.759 -10.485 1.00 24.21 H new ATOM 0 HB2 LYS A 95 -2.015 25.322 -12.125 1.00 55.25 H new ATOM 0 HB3 LYS A 95 -1.564 26.132 -10.638 1.00 55.25 H new ATOM 0 HG2 LYS A 95 0.507 26.981 -11.762 1.00 53.31 H new ATOM 0 HG3 LYS A 95 -0.018 26.225 -13.253 1.00 53.31 H new ATOM 0 HD2 LYS A 95 -2.046 27.968 -11.949 1.00 64.43 H new ATOM 0 HD3 LYS A 95 -0.616 28.802 -12.523 1.00 64.43 H new ATOM 0 HE2 LYS A 95 -0.942 27.619 -14.761 1.00 13.11 H new ATOM 0 HE3 LYS A 95 -2.480 27.038 -14.155 1.00 13.11 H new ATOM 0 HZ1 LYS A 95 -2.752 29.055 -15.446 1.00 11.41 H new ATOM 0 HZ2 LYS A 95 -3.189 29.338 -13.830 1.00 11.41 H new ATOM 0 HZ3 LYS A 95 -1.699 29.901 -14.417 1.00 11.41 H new ATOM 1521 N ASP A 96 -2.152 22.827 -10.990 1.00 24.45 N ATOM 1522 CA ASP A 96 -3.047 21.877 -10.341 1.00 42.42 C ATOM 1523 C ASP A 96 -3.277 20.655 -11.226 1.00 53.13 C ATOM 1524 O ASP A 96 -2.764 20.578 -12.343 1.00 71.15 O ATOM 1525 CB ASP A 96 -4.384 22.544 -10.014 1.00 44.11 C ATOM 1526 CG ASP A 96 -4.903 23.393 -11.157 1.00 3.14 C ATOM 1527 OD1 ASP A 96 -5.155 22.834 -12.244 1.00 31.04 O ATOM 1528 OD2 ASP A 96 -5.056 24.617 -10.965 1.00 62.02 O ATOM 0 H ASP A 96 -2.318 22.947 -11.989 1.00 24.45 H new ATOM 0 HA ASP A 96 -2.577 21.549 -9.414 1.00 42.42 H new ATOM 0 HB2 ASP A 96 -5.120 21.777 -9.772 1.00 44.11 H new ATOM 0 HB3 ASP A 96 -4.269 23.166 -9.127 1.00 44.11 H new ATOM 1533 N THR A 97 -4.051 19.701 -10.719 1.00 61.14 N ATOM 1534 CA THR A 97 -4.348 18.482 -11.460 1.00 24.25 C ATOM 1535 C THR A 97 -5.196 18.781 -12.692 1.00 4.12 C ATOM 1536 O THR A 97 -5.408 17.913 -13.538 1.00 14.54 O ATOM 1537 CB THR A 97 -5.084 17.454 -10.581 1.00 10.32 C ATOM 1538 OG1 THR A 97 -4.322 17.185 -9.399 1.00 3.03 O ATOM 1539 CG2 THR A 97 -5.319 16.159 -11.344 1.00 32.44 C ATOM 0 H THR A 97 -4.484 19.749 -9.797 1.00 61.14 H new ATOM 0 HA THR A 97 -3.392 18.062 -11.773 1.00 24.25 H new ATOM 0 HB THR A 97 -6.051 17.874 -10.302 1.00 10.32 H new ATOM 0 HG1 THR A 97 -3.896 16.306 -9.477 1.00 3.03 H new ATOM 0 HG21 THR A 97 -5.840 15.448 -10.703 1.00 32.44 H new ATOM 0 HG22 THR A 97 -5.924 16.362 -12.228 1.00 32.44 H new ATOM 0 HG23 THR A 97 -4.361 15.738 -11.649 1.00 32.44 H new ATOM 1547 N LYS A 98 -5.679 20.016 -12.787 1.00 43.20 N ATOM 1548 CA LYS A 98 -6.503 20.430 -13.916 1.00 60.42 C ATOM 1549 C LYS A 98 -5.635 20.860 -15.094 1.00 40.22 C ATOM 1550 O LYS A 98 -5.908 20.503 -16.239 1.00 33.53 O ATOM 1551 CB LYS A 98 -7.427 21.579 -13.504 1.00 45.12 C ATOM 1552 CG LYS A 98 -8.903 21.243 -13.623 1.00 73.54 C ATOM 1553 CD LYS A 98 -9.774 22.455 -13.336 1.00 74.31 C ATOM 1554 CE LYS A 98 -10.633 22.821 -14.537 1.00 24.11 C ATOM 1555 NZ LYS A 98 -11.959 23.360 -14.129 1.00 51.44 N ATOM 0 H LYS A 98 -5.514 20.747 -12.095 1.00 43.20 H new ATOM 0 HA LYS A 98 -7.108 19.577 -14.225 1.00 60.42 H new ATOM 0 HB2 LYS A 98 -7.208 21.859 -12.473 1.00 45.12 H new ATOM 0 HB3 LYS A 98 -7.210 22.449 -14.123 1.00 45.12 H new ATOM 0 HG2 LYS A 98 -9.113 20.872 -14.626 1.00 73.54 H new ATOM 0 HG3 LYS A 98 -9.152 20.441 -12.928 1.00 73.54 H new ATOM 0 HD2 LYS A 98 -10.415 22.249 -12.478 1.00 74.31 H new ATOM 0 HD3 LYS A 98 -9.143 23.302 -13.067 1.00 74.31 H new ATOM 0 HE2 LYS A 98 -10.112 23.561 -15.144 1.00 24.11 H new ATOM 0 HE3 LYS A 98 -10.776 21.940 -15.162 1.00 24.11 H new ATOM 0 HZ1 LYS A 98 -12.513 23.597 -14.977 1.00 51.44 H new ATOM 0 HZ2 LYS A 98 -12.468 22.645 -13.571 1.00 51.44 H new ATOM 0 HZ3 LYS A 98 -11.824 24.216 -13.553 1.00 51.44 H new ATOM 1569 N GLU A 99 -4.587 21.626 -14.804 1.00 60.21 N ATOM 1570 CA GLU A 99 -3.679 22.103 -15.841 1.00 53.41 C ATOM 1571 C GLU A 99 -2.760 20.981 -16.316 1.00 14.24 C ATOM 1572 O GLU A 99 -2.119 21.091 -17.360 1.00 11.33 O ATOM 1573 CB GLU A 99 -2.845 23.275 -15.320 1.00 14.41 C ATOM 1574 CG GLU A 99 -3.506 24.628 -15.521 1.00 43.14 C ATOM 1575 CD GLU A 99 -2.765 25.497 -16.519 1.00 12.52 C ATOM 1576 OE1 GLU A 99 -1.586 25.820 -16.265 1.00 0.33 O ATOM 1577 OE2 GLU A 99 -3.365 25.851 -17.555 1.00 21.12 O ATOM 0 H GLU A 99 -4.346 21.929 -13.860 1.00 60.21 H new ATOM 0 HA GLU A 99 -4.278 22.441 -16.686 1.00 53.41 H new ATOM 0 HB2 GLU A 99 -2.652 23.129 -14.257 1.00 14.41 H new ATOM 0 HB3 GLU A 99 -1.878 23.274 -15.823 1.00 14.41 H new ATOM 0 HG2 GLU A 99 -4.530 24.480 -15.863 1.00 43.14 H new ATOM 0 HG3 GLU A 99 -3.562 25.147 -14.564 1.00 43.14 H new ATOM 1584 N ALA A 100 -2.701 19.903 -15.540 1.00 32.45 N ATOM 1585 CA ALA A 100 -1.863 18.761 -15.883 1.00 43.02 C ATOM 1586 C ALA A 100 -2.550 17.861 -16.903 1.00 33.01 C ATOM 1587 O ALA A 100 -1.894 17.247 -17.746 1.00 51.40 O ATOM 1588 CB ALA A 100 -1.511 17.970 -14.631 1.00 71.55 C ATOM 0 H ALA A 100 -3.223 19.797 -14.670 1.00 32.45 H new ATOM 0 HA ALA A 100 -0.944 19.139 -16.332 1.00 43.02 H new ATOM 0 HB1 ALA A 100 -0.885 17.120 -14.902 1.00 71.55 H new ATOM 0 HB2 ALA A 100 -0.971 18.612 -13.935 1.00 71.55 H new ATOM 0 HB3 ALA A 100 -2.425 17.611 -14.158 1.00 71.55 H new ATOM 1594 N LEU A 101 -3.874 17.786 -16.823 1.00 51.03 N ATOM 1595 CA LEU A 101 -4.651 16.960 -17.740 1.00 4.51 C ATOM 1596 C LEU A 101 -4.781 17.632 -19.103 1.00 65.44 C ATOM 1597 O LEU A 101 -4.872 16.962 -20.131 1.00 3.41 O ATOM 1598 CB LEU A 101 -6.039 16.685 -17.159 1.00 62.31 C ATOM 1599 CG LEU A 101 -6.631 15.307 -17.457 1.00 61.32 C ATOM 1600 CD1 LEU A 101 -6.798 15.111 -18.955 1.00 1.35 C ATOM 1601 CD2 LEU A 101 -5.756 14.212 -16.868 1.00 44.24 C ATOM 0 H LEU A 101 -4.432 18.288 -16.132 1.00 51.03 H new ATOM 0 HA LEU A 101 -4.125 16.014 -17.871 1.00 4.51 H new ATOM 0 HB2 LEU A 101 -5.989 16.811 -16.077 1.00 62.31 H new ATOM 0 HB3 LEU A 101 -6.726 17.443 -17.537 1.00 62.31 H new ATOM 0 HG LEU A 101 -7.615 15.247 -16.992 1.00 61.32 H new ATOM 0 HD11 LEU A 101 -7.220 14.125 -19.148 1.00 1.35 H new ATOM 0 HD12 LEU A 101 -7.467 15.876 -19.350 1.00 1.35 H new ATOM 0 HD13 LEU A 101 -5.827 15.191 -19.443 1.00 1.35 H new ATOM 0 HD21 LEU A 101 -6.193 13.238 -17.090 1.00 44.24 H new ATOM 0 HD22 LEU A 101 -4.758 14.270 -17.303 1.00 44.24 H new ATOM 0 HD23 LEU A 101 -5.689 14.342 -15.788 1.00 44.24 H new ATOM 1613 N ASP A 102 -4.786 18.960 -19.102 1.00 24.25 N ATOM 1614 CA ASP A 102 -4.900 19.725 -20.338 1.00 33.13 C ATOM 1615 C ASP A 102 -3.613 19.638 -21.153 1.00 73.44 C ATOM 1616 O ASP A 102 -3.646 19.431 -22.366 1.00 20.23 O ATOM 1617 CB ASP A 102 -5.227 21.188 -20.031 1.00 5.43 C ATOM 1618 CG ASP A 102 -6.717 21.436 -19.915 1.00 30.32 C ATOM 1619 OD1 ASP A 102 -7.361 20.798 -19.055 1.00 4.05 O ATOM 1620 OD2 ASP A 102 -7.240 22.270 -20.684 1.00 73.15 O ATOM 0 H ASP A 102 -4.712 19.529 -18.259 1.00 24.25 H new ATOM 0 HA ASP A 102 -5.711 19.296 -20.927 1.00 33.13 H new ATOM 0 HB2 ASP A 102 -4.740 21.478 -19.100 1.00 5.43 H new ATOM 0 HB3 ASP A 102 -4.816 21.822 -20.817 1.00 5.43 H new ATOM 1625 N LYS A 103 -2.480 19.798 -20.478 1.00 52.14 N ATOM 1626 CA LYS A 103 -1.181 19.738 -21.136 1.00 33.22 C ATOM 1627 C LYS A 103 -0.981 18.391 -21.822 1.00 13.23 C ATOM 1628 O LYS A 103 -0.187 18.270 -22.756 1.00 35.54 O ATOM 1629 CB LYS A 103 -0.060 19.978 -20.123 1.00 1.21 C ATOM 1630 CG LYS A 103 0.112 21.437 -19.741 1.00 61.04 C ATOM 1631 CD LYS A 103 1.162 22.119 -20.603 1.00 44.33 C ATOM 1632 CE LYS A 103 0.578 22.584 -21.928 1.00 24.13 C ATOM 1633 NZ LYS A 103 0.909 21.648 -23.038 1.00 41.22 N ATOM 0 H LYS A 103 -2.436 19.971 -19.474 1.00 52.14 H new ATOM 0 HA LYS A 103 -1.150 20.521 -21.894 1.00 33.22 H new ATOM 0 HB2 LYS A 103 -0.264 19.397 -19.223 1.00 1.21 H new ATOM 0 HB3 LYS A 103 0.878 19.606 -20.536 1.00 1.21 H new ATOM 0 HG2 LYS A 103 -0.840 21.956 -19.847 1.00 61.04 H new ATOM 0 HG3 LYS A 103 0.399 21.508 -18.692 1.00 61.04 H new ATOM 0 HD2 LYS A 103 1.576 22.973 -20.067 1.00 44.33 H new ATOM 0 HD3 LYS A 103 1.986 21.430 -20.789 1.00 44.33 H new ATOM 0 HE2 LYS A 103 -0.505 22.671 -21.837 1.00 24.13 H new ATOM 0 HE3 LYS A 103 0.959 23.577 -22.164 1.00 24.13 H new ATOM 0 HZ1 LYS A 103 0.233 21.780 -23.817 1.00 41.22 H new ATOM 0 HZ2 LYS A 103 1.872 21.841 -23.379 1.00 41.22 H new ATOM 0 HZ3 LYS A 103 0.854 20.668 -22.694 1.00 41.22 H new ATOM 1647 N ILE A 104 -1.706 17.380 -21.354 1.00 24.31 N ATOM 1648 CA ILE A 104 -1.608 16.043 -21.925 1.00 14.53 C ATOM 1649 C ILE A 104 -2.693 15.811 -22.972 1.00 0.01 C ATOM 1650 O ILE A 104 -2.585 14.911 -23.803 1.00 11.43 O ATOM 1651 CB ILE A 104 -1.721 14.957 -20.838 1.00 53.14 C ATOM 1652 CG1 ILE A 104 -0.653 15.169 -19.762 1.00 33.12 C ATOM 1653 CG2 ILE A 104 -1.590 13.573 -21.456 1.00 64.12 C ATOM 1654 CD1 ILE A 104 -0.817 14.263 -18.562 1.00 62.33 C ATOM 0 H ILE A 104 -2.367 17.462 -20.582 1.00 24.31 H new ATOM 0 HA ILE A 104 -0.628 15.973 -22.398 1.00 14.53 H new ATOM 0 HB ILE A 104 -2.702 15.033 -20.370 1.00 53.14 H new ATOM 0 HG12 ILE A 104 0.331 15.003 -20.201 1.00 33.12 H new ATOM 0 HG13 ILE A 104 -0.684 16.207 -19.431 1.00 33.12 H new ATOM 0 HG21 ILE A 104 -1.672 12.817 -20.675 1.00 64.12 H new ATOM 0 HG22 ILE A 104 -2.383 13.425 -22.189 1.00 64.12 H new ATOM 0 HG23 ILE A 104 -0.621 13.484 -21.947 1.00 64.12 H new ATOM 0 HD11 ILE A 104 -0.026 14.468 -17.840 1.00 62.33 H new ATOM 0 HD12 ILE A 104 -1.787 14.445 -18.099 1.00 62.33 H new ATOM 0 HD13 ILE A 104 -0.756 13.222 -18.881 1.00 62.33 H new ATOM 1666 N GLU A 105 -3.737 16.633 -22.926 1.00 52.42 N ATOM 1667 CA GLU A 105 -4.841 16.517 -23.871 1.00 34.44 C ATOM 1668 C GLU A 105 -4.518 17.242 -25.175 1.00 61.20 C ATOM 1669 O GLU A 105 -4.828 16.753 -26.261 1.00 32.24 O ATOM 1670 CB GLU A 105 -6.124 17.088 -23.263 1.00 52.41 C ATOM 1671 CG GLU A 105 -7.387 16.653 -23.989 1.00 73.20 C ATOM 1672 CD GLU A 105 -8.467 16.167 -23.041 1.00 10.23 C ATOM 1673 OE1 GLU A 105 -8.924 16.970 -22.202 1.00 51.12 O ATOM 1674 OE2 GLU A 105 -8.853 14.984 -23.139 1.00 14.33 O ATOM 0 H GLU A 105 -3.841 17.385 -22.245 1.00 52.42 H new ATOM 0 HA GLU A 105 -4.990 15.459 -24.089 1.00 34.44 H new ATOM 0 HB2 GLU A 105 -6.190 16.780 -22.220 1.00 52.41 H new ATOM 0 HB3 GLU A 105 -6.067 18.176 -23.271 1.00 52.41 H new ATOM 0 HG2 GLU A 105 -7.771 17.489 -24.574 1.00 73.20 H new ATOM 0 HG3 GLU A 105 -7.141 15.858 -24.693 1.00 73.20 H new ATOM 1681 N GLU A 106 -3.894 18.410 -25.058 1.00 74.14 N ATOM 1682 CA GLU A 106 -3.531 19.202 -26.226 1.00 33.10 C ATOM 1683 C GLU A 106 -2.370 18.559 -26.980 1.00 65.25 C ATOM 1684 O GLU A 106 -2.278 18.663 -28.202 1.00 2.43 O ATOM 1685 CB GLU A 106 -3.157 20.626 -25.809 1.00 43.21 C ATOM 1686 CG GLU A 106 -4.246 21.648 -26.088 1.00 41.23 C ATOM 1687 CD GLU A 106 -5.378 21.583 -25.083 1.00 54.05 C ATOM 1688 OE1 GLU A 106 -5.972 20.495 -24.927 1.00 24.32 O ATOM 1689 OE2 GLU A 106 -5.672 22.619 -24.450 1.00 33.24 O ATOM 0 H GLU A 106 -3.630 18.828 -24.166 1.00 74.14 H new ATOM 0 HA GLU A 106 -4.395 19.241 -26.889 1.00 33.10 H new ATOM 0 HB2 GLU A 106 -2.927 20.635 -24.744 1.00 43.21 H new ATOM 0 HB3 GLU A 106 -2.249 20.923 -26.334 1.00 43.21 H new ATOM 0 HG2 GLU A 106 -3.812 22.648 -26.077 1.00 41.23 H new ATOM 0 HG3 GLU A 106 -4.644 21.485 -27.089 1.00 41.23 H new ATOM 1696 N GLU A 107 -1.487 17.897 -26.239 1.00 3.11 N ATOM 1697 CA GLU A 107 -0.331 17.239 -26.838 1.00 51.34 C ATOM 1698 C GLU A 107 -0.750 15.979 -27.590 1.00 33.42 C ATOM 1699 O GLU A 107 -0.179 15.645 -28.626 1.00 3.33 O ATOM 1700 CB GLU A 107 0.696 16.884 -25.760 1.00 51.15 C ATOM 1701 CG GLU A 107 2.122 17.250 -26.133 1.00 34.44 C ATOM 1702 CD GLU A 107 2.315 18.744 -26.301 1.00 25.32 C ATOM 1703 OE1 GLU A 107 2.417 19.447 -25.274 1.00 63.53 O ATOM 1704 OE2 GLU A 107 2.365 19.212 -27.458 1.00 54.54 O ATOM 0 H GLU A 107 -1.549 17.802 -25.225 1.00 3.11 H new ATOM 0 HA GLU A 107 0.121 17.931 -27.548 1.00 51.34 H new ATOM 0 HB2 GLU A 107 0.429 17.394 -24.834 1.00 51.15 H new ATOM 0 HB3 GLU A 107 0.645 15.814 -25.560 1.00 51.15 H new ATOM 0 HG2 GLU A 107 2.801 16.884 -25.362 1.00 34.44 H new ATOM 0 HG3 GLU A 107 2.392 16.746 -27.061 1.00 34.44 H new ATOM 1711 N GLN A 108 -1.754 15.287 -27.060 1.00 42.51 N ATOM 1712 CA GLN A 108 -2.249 14.065 -27.680 1.00 15.40 C ATOM 1713 C GLN A 108 -3.084 14.381 -28.917 1.00 60.30 C ATOM 1714 O GLN A 108 -3.145 13.589 -29.856 1.00 24.54 O ATOM 1715 CB GLN A 108 -3.083 13.261 -26.681 1.00 64.23 C ATOM 1716 CG GLN A 108 -2.812 11.766 -26.726 1.00 74.21 C ATOM 1717 CD GLN A 108 -2.773 11.138 -25.347 1.00 4.54 C ATOM 1718 OE1 GLN A 108 -3.487 11.560 -24.438 1.00 35.32 O ATOM 1719 NE2 GLN A 108 -1.934 10.121 -25.184 1.00 63.05 N ATOM 0 H GLN A 108 -2.240 15.552 -26.203 1.00 42.51 H new ATOM 0 HA GLN A 108 -1.388 13.470 -27.986 1.00 15.40 H new ATOM 0 HB2 GLN A 108 -2.882 13.628 -25.674 1.00 64.23 H new ATOM 0 HB3 GLN A 108 -4.140 13.436 -26.879 1.00 64.23 H new ATOM 0 HG2 GLN A 108 -3.584 11.278 -27.321 1.00 74.21 H new ATOM 0 HG3 GLN A 108 -1.862 11.588 -27.229 1.00 74.21 H new ATOM 0 HE21 GLN A 108 -1.360 9.803 -25.965 1.00 63.05 H new ATOM 0 HE22 GLN A 108 -1.864 9.658 -24.278 1.00 63.05 H new ATOM 1728 N ASN A 109 -3.727 15.545 -28.909 1.00 64.45 N ATOM 1729 CA ASN A 109 -4.559 15.966 -30.030 1.00 10.02 C ATOM 1730 C ASN A 109 -3.734 16.074 -31.310 1.00 54.44 C ATOM 1731 O ASN A 109 -4.188 15.689 -32.387 1.00 32.15 O ATOM 1732 CB ASN A 109 -5.222 17.311 -29.723 1.00 1.42 C ATOM 1733 CG ASN A 109 -6.321 17.190 -28.685 1.00 62.20 C ATOM 1734 OD1 ASN A 109 -6.790 16.091 -28.386 1.00 20.23 O ATOM 1735 ND2 ASN A 109 -6.737 18.322 -28.130 1.00 41.33 N ATOM 0 H ASN A 109 -3.688 16.213 -28.139 1.00 64.45 H new ATOM 0 HA ASN A 109 -5.332 15.212 -30.179 1.00 10.02 H new ATOM 0 HB2 ASN A 109 -4.467 18.013 -29.369 1.00 1.42 H new ATOM 0 HB3 ASN A 109 -5.637 17.726 -30.641 1.00 1.42 H new ATOM 0 HD21 ASN A 109 -7.474 18.304 -27.425 1.00 41.33 H new ATOM 0 HD22 ASN A 109 -6.320 19.210 -28.408 1.00 41.33 H new ATOM 1742 N LYS A 110 -2.520 16.597 -31.182 1.00 3.15 N ATOM 1743 CA LYS A 110 -1.630 16.753 -32.326 1.00 31.42 C ATOM 1744 C LYS A 110 -1.026 15.413 -32.733 1.00 24.41 C ATOM 1745 O LYS A 110 -0.758 15.174 -33.911 1.00 60.12 O ATOM 1746 CB LYS A 110 -0.516 17.750 -31.999 1.00 5.23 C ATOM 1747 CG LYS A 110 -0.803 19.163 -32.476 1.00 71.14 C ATOM 1748 CD LYS A 110 0.373 19.743 -33.243 1.00 10.32 C ATOM 1749 CE LYS A 110 1.277 20.567 -32.339 1.00 44.22 C ATOM 1750 NZ LYS A 110 2.682 20.070 -32.358 1.00 55.54 N ATOM 0 H LYS A 110 -2.129 16.920 -30.297 1.00 3.15 H new ATOM 0 HA LYS A 110 -2.217 17.135 -33.162 1.00 31.42 H new ATOM 0 HB2 LYS A 110 -0.359 17.765 -30.921 1.00 5.23 H new ATOM 0 HB3 LYS A 110 0.413 17.405 -32.452 1.00 5.23 H new ATOM 0 HG2 LYS A 110 -1.688 19.160 -33.113 1.00 71.14 H new ATOM 0 HG3 LYS A 110 -1.029 19.798 -31.619 1.00 71.14 H new ATOM 0 HD2 LYS A 110 0.948 18.935 -33.695 1.00 10.32 H new ATOM 0 HD3 LYS A 110 0.005 20.367 -34.058 1.00 10.32 H new ATOM 0 HE2 LYS A 110 1.256 21.609 -32.657 1.00 44.22 H new ATOM 0 HE3 LYS A 110 0.895 20.537 -31.319 1.00 44.22 H new ATOM 0 HZ1 LYS A 110 3.267 20.657 -31.730 1.00 55.54 H new ATOM 0 HZ2 LYS A 110 2.706 19.083 -32.030 1.00 55.54 H new ATOM 0 HZ3 LYS A 110 3.056 20.122 -33.327 1.00 55.54 H new ATOM 1764 N SER A 111 -0.814 14.543 -31.752 1.00 41.15 N ATOM 1765 CA SER A 111 -0.239 13.227 -32.007 1.00 13.23 C ATOM 1766 C SER A 111 -1.328 12.159 -32.057 1.00 45.44 C ATOM 1767 O SER A 111 -1.091 10.998 -31.720 1.00 3.13 O ATOM 1768 CB SER A 111 0.787 12.877 -30.928 1.00 13.11 C ATOM 1769 OG SER A 111 1.577 14.004 -30.592 1.00 41.24 O ATOM 0 H SER A 111 -1.032 14.725 -30.772 1.00 41.15 H new ATOM 0 HA SER A 111 0.260 13.257 -32.975 1.00 13.23 H new ATOM 0 HB2 SER A 111 0.274 12.510 -30.039 1.00 13.11 H new ATOM 0 HB3 SER A 111 1.430 12.070 -31.281 1.00 13.11 H new ATOM 0 HG SER A 111 1.089 14.568 -29.956 1.00 41.24 H new ATOM 1775 N LYS A 112 -2.522 12.560 -32.478 1.00 51.34 N ATOM 1776 CA LYS A 112 -3.649 11.638 -32.573 1.00 33.53 C ATOM 1777 C LYS A 112 -3.545 10.780 -33.829 1.00 5.14 C ATOM 1778 O LYS A 112 -3.987 9.631 -33.847 1.00 72.31 O ATOM 1779 CB LYS A 112 -4.969 12.414 -32.581 1.00 62.33 C ATOM 1780 CG LYS A 112 -6.122 11.657 -31.946 1.00 61.51 C ATOM 1781 CD LYS A 112 -6.213 11.929 -30.453 1.00 33.41 C ATOM 1782 CE LYS A 112 -6.940 10.809 -29.726 1.00 55.32 C ATOM 1783 NZ LYS A 112 -8.382 10.751 -30.096 1.00 2.14 N ATOM 0 H LYS A 112 -2.735 13.517 -32.759 1.00 51.34 H new ATOM 0 HA LYS A 112 -3.625 10.982 -31.703 1.00 33.53 H new ATOM 0 HB2 LYS A 112 -4.830 13.357 -32.053 1.00 62.33 H new ATOM 0 HB3 LYS A 112 -5.230 12.660 -33.610 1.00 62.33 H new ATOM 0 HG2 LYS A 112 -7.057 11.946 -32.427 1.00 61.51 H new ATOM 0 HG3 LYS A 112 -5.993 10.588 -32.115 1.00 61.51 H new ATOM 0 HD2 LYS A 112 -5.210 12.041 -30.041 1.00 33.41 H new ATOM 0 HD3 LYS A 112 -6.734 12.872 -30.285 1.00 33.41 H new ATOM 0 HE2 LYS A 112 -6.466 9.856 -29.961 1.00 55.32 H new ATOM 0 HE3 LYS A 112 -6.847 10.954 -28.650 1.00 55.32 H new ATOM 0 HZ1 LYS A 112 -8.842 9.975 -29.579 1.00 2.14 H new ATOM 0 HZ2 LYS A 112 -8.840 11.651 -29.848 1.00 2.14 H new ATOM 0 HZ3 LYS A 112 -8.472 10.587 -31.119 1.00 2.14 H new ATOM 1797 N LYS A 113 -2.955 11.342 -34.878 1.00 35.43 N ATOM 1798 CA LYS A 113 -2.790 10.628 -36.138 1.00 50.13 C ATOM 1799 C LYS A 113 -1.686 9.580 -36.029 1.00 71.21 C ATOM 1800 O LYS A 113 -1.886 8.415 -36.371 1.00 45.52 O ATOM 1801 CB LYS A 113 -2.465 11.610 -37.266 1.00 42.50 C ATOM 1802 CG LYS A 113 -2.653 11.024 -38.655 1.00 54.04 C ATOM 1803 CD LYS A 113 -1.441 11.275 -39.535 1.00 22.14 C ATOM 1804 CE LYS A 113 -1.626 12.514 -40.399 1.00 12.42 C ATOM 1805 NZ LYS A 113 -0.770 12.473 -41.617 1.00 1.31 N ATOM 0 H LYS A 113 -2.583 12.292 -34.880 1.00 35.43 H new ATOM 0 HA LYS A 113 -3.728 10.121 -36.365 1.00 50.13 H new ATOM 0 HB2 LYS A 113 -3.099 12.491 -37.163 1.00 42.50 H new ATOM 0 HB3 LYS A 113 -1.433 11.945 -37.159 1.00 42.50 H new ATOM 0 HG2 LYS A 113 -2.831 9.952 -38.577 1.00 54.04 H new ATOM 0 HG3 LYS A 113 -3.537 11.461 -39.119 1.00 54.04 H new ATOM 0 HD2 LYS A 113 -0.555 11.394 -38.911 1.00 22.14 H new ATOM 0 HD3 LYS A 113 -1.267 10.408 -40.173 1.00 22.14 H new ATOM 0 HE2 LYS A 113 -2.672 12.599 -40.693 1.00 12.42 H new ATOM 0 HE3 LYS A 113 -1.386 13.403 -39.816 1.00 12.42 H new ATOM 0 HZ1 LYS A 113 -1.221 13.021 -42.377 1.00 1.31 H new ATOM 0 HZ2 LYS A 113 0.161 12.882 -41.401 1.00 1.31 H new ATOM 0 HZ3 LYS A 113 -0.652 11.487 -41.925 1.00 1.31 H new ATOM 1819 N LYS A 114 -0.522 10.002 -35.548 1.00 62.21 N ATOM 1820 CA LYS A 114 0.614 9.101 -35.390 1.00 75.51 C ATOM 1821 C LYS A 114 0.254 7.928 -34.483 1.00 4.05 C ATOM 1822 O LYS A 114 0.792 6.831 -34.631 1.00 72.44 O ATOM 1823 CB LYS A 114 1.814 9.856 -34.814 1.00 1.14 C ATOM 1824 CG LYS A 114 2.787 10.348 -35.872 1.00 55.33 C ATOM 1825 CD LYS A 114 3.500 11.613 -35.427 1.00 62.44 C ATOM 1826 CE LYS A 114 4.520 11.324 -34.337 1.00 3.11 C ATOM 1827 NZ LYS A 114 5.022 12.573 -33.700 1.00 32.42 N ATOM 0 H LYS A 114 -0.340 10.964 -35.260 1.00 62.21 H new ATOM 0 HA LYS A 114 0.877 8.711 -36.373 1.00 75.51 H new ATOM 0 HB2 LYS A 114 1.454 10.709 -34.238 1.00 1.14 H new ATOM 0 HB3 LYS A 114 2.344 9.204 -34.120 1.00 1.14 H new ATOM 0 HG2 LYS A 114 3.521 9.570 -36.083 1.00 55.33 H new ATOM 0 HG3 LYS A 114 2.250 10.539 -36.801 1.00 55.33 H new ATOM 0 HD2 LYS A 114 3.999 12.070 -36.281 1.00 62.44 H new ATOM 0 HD3 LYS A 114 2.769 12.334 -35.061 1.00 62.44 H new ATOM 0 HE2 LYS A 114 4.069 10.685 -33.578 1.00 3.11 H new ATOM 0 HE3 LYS A 114 5.358 10.771 -34.761 1.00 3.11 H new ATOM 0 HZ1 LYS A 114 5.715 12.332 -32.963 1.00 32.42 H new ATOM 0 HZ2 LYS A 114 5.476 13.172 -34.419 1.00 32.42 H new ATOM 0 HZ3 LYS A 114 4.226 13.089 -33.272 1.00 32.42 H new ATOM 1841 N ALA A 115 -0.658 8.167 -33.546 1.00 22.15 N ATOM 1842 CA ALA A 115 -1.090 7.129 -32.619 1.00 31.31 C ATOM 1843 C ALA A 115 -2.376 6.465 -33.099 1.00 74.31 C ATOM 1844 O ALA A 115 -3.145 5.933 -32.300 1.00 13.15 O ATOM 1845 CB ALA A 115 -1.283 7.713 -31.227 1.00 53.10 C ATOM 0 H ALA A 115 -1.112 9.070 -33.409 1.00 22.15 H new ATOM 0 HA ALA A 115 -0.312 6.366 -32.577 1.00 31.31 H new ATOM 0 HB1 ALA A 115 -1.606 6.927 -30.544 1.00 53.10 H new ATOM 0 HB2 ALA A 115 -0.341 8.135 -30.876 1.00 53.10 H new ATOM 0 HB3 ALA A 115 -2.040 8.496 -31.263 1.00 53.10 H new ATOM 1851 N GLN A 116 -2.603 6.502 -34.408 1.00 4.04 N ATOM 1852 CA GLN A 116 -3.796 5.904 -34.994 1.00 71.30 C ATOM 1853 C GLN A 116 -3.676 5.822 -36.512 1.00 72.00 C ATOM 1854 O GLN A 116 -4.669 5.939 -37.229 1.00 21.11 O ATOM 1855 CB GLN A 116 -5.037 6.714 -34.612 1.00 71.12 C ATOM 1856 CG GLN A 116 -6.225 5.854 -34.214 1.00 75.25 C ATOM 1857 CD GLN A 116 -7.091 6.509 -33.155 1.00 33.34 C ATOM 1858 OE1 GLN A 116 -7.242 5.988 -32.050 1.00 3.11 O ATOM 1859 NE2 GLN A 116 -7.666 7.659 -33.489 1.00 4.02 N ATOM 0 H GLN A 116 -1.976 6.940 -35.083 1.00 4.04 H new ATOM 0 HA GLN A 116 -3.895 4.892 -34.601 1.00 71.30 H new ATOM 0 HB2 GLN A 116 -4.787 7.379 -33.785 1.00 71.12 H new ATOM 0 HB3 GLN A 116 -5.322 7.346 -35.453 1.00 71.12 H new ATOM 0 HG2 GLN A 116 -6.831 5.647 -35.096 1.00 75.25 H new ATOM 0 HG3 GLN A 116 -5.866 4.895 -33.842 1.00 75.25 H new ATOM 0 HE21 GLN A 116 -7.513 8.055 -34.417 1.00 4.02 H new ATOM 0 HE22 GLN A 116 -8.260 8.146 -32.818 1.00 4.02 H new ATOM 1868 N GLN A 117 -2.453 5.620 -36.993 1.00 53.50 N ATOM 1869 CA GLN A 117 -2.204 5.524 -38.427 1.00 54.54 C ATOM 1870 C GLN A 117 -3.065 4.434 -39.057 1.00 51.20 C ATOM 1871 O GLN A 117 -3.695 4.648 -40.092 1.00 5.32 O ATOM 1872 CB GLN A 117 -0.725 5.236 -38.690 1.00 30.33 C ATOM 1873 CG GLN A 117 0.030 6.421 -39.272 1.00 40.32 C ATOM 1874 CD GLN A 117 0.084 6.390 -40.787 1.00 4.01 C ATOM 1875 OE1 GLN A 117 0.602 5.445 -41.382 1.00 13.14 O ATOM 1876 NE2 GLN A 117 -0.451 7.428 -41.420 1.00 40.04 N ATOM 0 H GLN A 117 -1.621 5.520 -36.412 1.00 53.50 H new ATOM 0 HA GLN A 117 -2.468 6.479 -38.881 1.00 54.54 H new ATOM 0 HB2 GLN A 117 -0.250 4.936 -37.756 1.00 30.33 H new ATOM 0 HB3 GLN A 117 -0.644 4.392 -39.375 1.00 30.33 H new ATOM 0 HG2 GLN A 117 -0.447 7.346 -38.948 1.00 40.32 H new ATOM 0 HG3 GLN A 117 1.045 6.430 -38.876 1.00 40.32 H new ATOM 0 HE21 GLN A 117 -0.870 8.190 -40.887 1.00 40.04 H new ATOM 0 HE22 GLN A 117 -0.443 7.463 -42.439 1.00 40.04 H new ATOM 1885 N ALA A 118 -3.088 3.265 -38.426 1.00 44.15 N ATOM 1886 CA ALA A 118 -3.873 2.142 -38.923 1.00 10.53 C ATOM 1887 C ALA A 118 -5.336 2.532 -39.100 1.00 41.21 C ATOM 1888 O ALA A 118 -5.915 2.338 -40.169 1.00 74.13 O ATOM 1889 CB ALA A 118 -3.751 0.953 -37.982 1.00 63.53 C ATOM 0 H ALA A 118 -2.571 3.071 -37.568 1.00 44.15 H new ATOM 0 HA ALA A 118 -3.479 1.859 -39.899 1.00 10.53 H new ATOM 0 HB1 ALA A 118 -4.343 0.122 -38.367 1.00 63.53 H new ATOM 0 HB2 ALA A 118 -2.706 0.652 -37.910 1.00 63.53 H new ATOM 0 HB3 ALA A 118 -4.117 1.232 -36.994 1.00 63.53 H new ATOM 1895 N ALA A 119 -5.929 3.080 -38.045 1.00 75.14 N ATOM 1896 CA ALA A 119 -7.325 3.498 -38.085 1.00 52.42 C ATOM 1897 C ALA A 119 -7.450 4.960 -38.497 1.00 42.34 C ATOM 1898 O ALA A 119 -8.123 5.747 -37.833 1.00 54.52 O ATOM 1899 CB ALA A 119 -7.983 3.271 -36.731 1.00 2.31 C ATOM 0 H ALA A 119 -5.465 3.245 -37.152 1.00 75.14 H new ATOM 0 HA ALA A 119 -7.838 2.893 -38.833 1.00 52.42 H new ATOM 0 HB1 ALA A 119 -9.025 3.588 -36.775 1.00 2.31 H new ATOM 0 HB2 ALA A 119 -7.936 2.212 -36.476 1.00 2.31 H new ATOM 0 HB3 ALA A 119 -7.460 3.851 -35.970 1.00 2.31 H new ATOM 1905 N ALA A 120 -6.794 5.317 -39.596 1.00 63.53 N ATOM 1906 CA ALA A 120 -6.833 6.686 -40.097 1.00 4.42 C ATOM 1907 C ALA A 120 -6.932 6.711 -41.619 1.00 54.25 C ATOM 1908 O ALA A 120 -8.020 6.856 -42.176 1.00 41.51 O ATOM 1909 CB ALA A 120 -5.602 7.452 -39.635 1.00 61.34 C ATOM 0 H ALA A 120 -6.230 4.678 -40.156 1.00 63.53 H new ATOM 0 HA ALA A 120 -7.722 7.169 -39.693 1.00 4.42 H new ATOM 0 HB1 ALA A 120 -5.644 8.472 -40.016 1.00 61.34 H new ATOM 0 HB2 ALA A 120 -5.574 7.472 -38.546 1.00 61.34 H new ATOM 0 HB3 ALA A 120 -4.705 6.961 -40.012 1.00 61.34 H new ATOM 1915 N ASP A 121 -5.791 6.570 -42.284 1.00 44.42 N ATOM 1916 CA ASP A 121 -5.750 6.575 -43.741 1.00 33.33 C ATOM 1917 C ASP A 121 -6.659 7.664 -44.306 1.00 11.24 C ATOM 1918 O ASP A 121 -7.282 7.486 -45.354 1.00 62.12 O ATOM 1919 CB ASP A 121 -6.167 5.210 -44.290 1.00 63.21 C ATOM 1920 CG ASP A 121 -7.638 4.919 -44.065 1.00 71.44 C ATOM 1921 OD1 ASP A 121 -7.980 4.397 -42.983 1.00 61.31 O ATOM 1922 OD2 ASP A 121 -8.447 5.214 -44.969 1.00 71.35 O ATOM 0 H ASP A 121 -4.882 6.451 -41.837 1.00 44.42 H new ATOM 0 HA ASP A 121 -4.726 6.784 -44.050 1.00 33.33 H new ATOM 0 HB2 ASP A 121 -5.951 5.170 -45.358 1.00 63.21 H new ATOM 0 HB3 ASP A 121 -5.569 4.433 -43.814 1.00 63.21 H new ATOM 1927 N THR A 122 -6.730 8.791 -43.605 1.00 53.32 N ATOM 1928 CA THR A 122 -7.563 9.906 -44.034 1.00 30.12 C ATOM 1929 C THR A 122 -6.751 10.930 -44.818 1.00 5.03 C ATOM 1930 O THR A 122 -5.551 10.755 -45.030 1.00 54.53 O ATOM 1931 CB THR A 122 -8.228 10.607 -42.834 1.00 1.41 C ATOM 1932 OG1 THR A 122 -7.278 11.445 -42.168 1.00 24.43 O ATOM 1933 CG2 THR A 122 -8.784 9.586 -41.853 1.00 54.24 C ATOM 0 H THR A 122 -6.220 8.955 -42.737 1.00 53.32 H new ATOM 0 HA THR A 122 -8.338 9.490 -44.678 1.00 30.12 H new ATOM 0 HB THR A 122 -9.051 11.217 -43.208 1.00 1.41 H new ATOM 0 HG1 THR A 122 -7.709 11.888 -41.408 1.00 24.43 H new ATOM 0 HG21 THR A 122 -9.249 10.103 -41.014 1.00 54.24 H new ATOM 0 HG22 THR A 122 -9.528 8.967 -42.355 1.00 54.24 H new ATOM 0 HG23 THR A 122 -7.974 8.955 -41.487 1.00 54.24 H new ATOM 1941 N GLY A 123 -7.411 12.001 -45.248 1.00 60.34 N ATOM 1942 CA GLY A 123 -6.733 13.038 -46.003 1.00 15.23 C ATOM 1943 C GLY A 123 -6.329 14.215 -45.139 1.00 60.53 C ATOM 1944 O GLY A 123 -6.964 15.269 -45.178 1.00 0.41 O ATOM 0 H GLY A 123 -8.404 12.169 -45.087 1.00 60.34 H new ATOM 0 HA2 GLY A 123 -5.846 12.617 -46.476 1.00 15.23 H new ATOM 0 HA3 GLY A 123 -7.386 13.386 -46.803 1.00 15.23 H new ATOM 1948 N ASN A 124 -5.272 14.037 -44.355 1.00 42.21 N ATOM 1949 CA ASN A 124 -4.785 15.093 -43.474 1.00 20.43 C ATOM 1950 C ASN A 124 -3.270 15.240 -43.586 1.00 14.23 C ATOM 1951 O ASN A 124 -2.557 14.264 -43.814 1.00 53.30 O ATOM 1952 CB ASN A 124 -5.175 14.797 -42.025 1.00 44.33 C ATOM 1953 CG ASN A 124 -4.509 15.742 -41.043 1.00 71.15 C ATOM 1954 OD1 ASN A 124 -3.742 15.317 -40.178 1.00 23.43 O ATOM 1955 ND2 ASN A 124 -4.801 17.031 -41.172 1.00 63.22 N ATOM 0 H ASN A 124 -4.735 13.171 -44.311 1.00 42.21 H new ATOM 0 HA ASN A 124 -5.246 16.031 -43.783 1.00 20.43 H new ATOM 0 HB2 ASN A 124 -6.257 14.872 -41.920 1.00 44.33 H new ATOM 0 HB3 ASN A 124 -4.901 13.771 -41.780 1.00 44.33 H new ATOM 0 HD21 ASN A 124 -4.384 17.714 -40.540 1.00 63.22 H new ATOM 0 HD22 ASN A 124 -5.442 17.338 -41.904 1.00 63.22 H new ATOM 1962 N ASN A 125 -2.787 16.468 -43.424 1.00 14.22 N ATOM 1963 CA ASN A 125 -1.357 16.743 -43.506 1.00 1.11 C ATOM 1964 C ASN A 125 -0.897 17.586 -42.322 1.00 62.44 C ATOM 1965 O ASN A 125 -1.474 18.634 -42.030 1.00 53.44 O ATOM 1966 CB ASN A 125 -1.030 17.461 -44.817 1.00 34.51 C ATOM 1967 CG ASN A 125 0.457 17.707 -44.986 1.00 75.20 C ATOM 1968 OD1 ASN A 125 1.270 17.232 -44.192 1.00 32.45 O ATOM 1969 ND2 ASN A 125 0.818 18.452 -46.024 1.00 23.34 N ATOM 0 H ASN A 125 -3.364 17.287 -43.235 1.00 14.22 H new ATOM 0 HA ASN A 125 -0.826 15.791 -43.479 1.00 1.11 H new ATOM 0 HB2 ASN A 125 -1.395 16.866 -45.655 1.00 34.51 H new ATOM 0 HB3 ASN A 125 -1.559 18.414 -44.848 1.00 34.51 H new ATOM 0 HD21 ASN A 125 1.804 18.652 -46.190 1.00 23.34 H new ATOM 0 HD22 ASN A 125 0.109 18.824 -46.656 1.00 23.34 H new ATOM 1976 N SER A 126 0.148 17.123 -41.644 1.00 61.31 N ATOM 1977 CA SER A 126 0.686 17.834 -40.488 1.00 13.01 C ATOM 1978 C SER A 126 2.206 17.925 -40.567 1.00 62.04 C ATOM 1979 O SER A 126 2.818 17.459 -41.527 1.00 4.23 O ATOM 1980 CB SER A 126 0.271 17.131 -39.194 1.00 64.52 C ATOM 1981 OG SER A 126 -0.297 18.050 -38.276 1.00 41.42 O ATOM 0 H SER A 126 0.639 16.259 -41.874 1.00 61.31 H new ATOM 0 HA SER A 126 0.279 18.845 -40.490 1.00 13.01 H new ATOM 0 HB2 SER A 126 -0.449 16.344 -39.418 1.00 64.52 H new ATOM 0 HB3 SER A 126 1.139 16.650 -38.743 1.00 64.52 H new ATOM 0 HG SER A 126 -0.556 17.577 -37.458 1.00 41.42 H new ATOM 1987 N GLN A 127 2.809 18.530 -39.548 1.00 72.31 N ATOM 1988 CA GLN A 127 4.258 18.684 -39.500 1.00 2.52 C ATOM 1989 C GLN A 127 4.709 19.181 -38.130 1.00 2.25 C ATOM 1990 O GLN A 127 3.886 19.447 -37.254 1.00 44.12 O ATOM 1991 CB GLN A 127 4.725 19.654 -40.587 1.00 33.14 C ATOM 1992 CG GLN A 127 5.414 18.971 -41.758 1.00 55.11 C ATOM 1993 CD GLN A 127 4.782 19.321 -43.091 1.00 41.12 C ATOM 1994 OE1 GLN A 127 4.816 20.473 -43.524 1.00 30.13 O ATOM 1995 NE2 GLN A 127 4.201 18.326 -43.750 1.00 32.43 N ATOM 0 H GLN A 127 2.316 18.921 -38.745 1.00 72.31 H new ATOM 0 HA GLN A 127 4.708 17.707 -39.677 1.00 2.52 H new ATOM 0 HB2 GLN A 127 3.865 20.212 -40.958 1.00 33.14 H new ATOM 0 HB3 GLN A 127 5.410 20.379 -40.146 1.00 33.14 H new ATOM 0 HG2 GLN A 127 6.466 19.256 -41.773 1.00 55.11 H new ATOM 0 HG3 GLN A 127 5.379 17.891 -41.616 1.00 55.11 H new ATOM 0 HE21 GLN A 127 4.196 17.386 -43.354 1.00 32.43 H new ATOM 0 HE22 GLN A 127 3.759 18.501 -44.653 1.00 32.43 H new ATOM 2004 N VAL A 128 6.021 19.304 -37.953 1.00 54.01 N ATOM 2005 CA VAL A 128 6.581 19.771 -36.690 1.00 11.44 C ATOM 2006 C VAL A 128 7.182 21.164 -36.837 1.00 40.35 C ATOM 2007 O VAL A 128 7.583 21.566 -37.928 1.00 12.45 O ATOM 2008 CB VAL A 128 7.664 18.808 -36.167 1.00 15.32 C ATOM 2009 CG1 VAL A 128 7.056 17.456 -35.824 1.00 41.03 C ATOM 2010 CG2 VAL A 128 8.779 18.655 -37.190 1.00 33.15 C ATOM 0 H VAL A 128 6.715 19.087 -38.668 1.00 54.01 H new ATOM 0 HA VAL A 128 5.761 19.807 -35.973 1.00 11.44 H new ATOM 0 HB VAL A 128 8.091 19.229 -35.257 1.00 15.32 H new ATOM 0 HG11 VAL A 128 7.836 16.789 -35.456 1.00 41.03 H new ATOM 0 HG12 VAL A 128 6.295 17.584 -35.054 1.00 41.03 H new ATOM 0 HG13 VAL A 128 6.601 17.025 -36.716 1.00 41.03 H new ATOM 0 HG21 VAL A 128 9.535 17.971 -36.804 1.00 33.15 H new ATOM 0 HG22 VAL A 128 8.369 18.256 -38.118 1.00 33.15 H new ATOM 0 HG23 VAL A 128 9.233 19.627 -37.382 1.00 33.15 H new ATOM 2020 N SER A 129 7.243 21.895 -35.729 1.00 45.43 N ATOM 2021 CA SER A 129 7.793 23.246 -35.734 1.00 52.33 C ATOM 2022 C SER A 129 8.328 23.619 -34.355 1.00 21.43 C ATOM 2023 O SER A 129 7.559 23.888 -33.432 1.00 30.33 O ATOM 2024 CB SER A 129 6.727 24.252 -36.170 1.00 61.13 C ATOM 2025 OG SER A 129 7.301 25.317 -36.907 1.00 64.11 O ATOM 0 H SER A 129 6.919 21.575 -34.816 1.00 45.43 H new ATOM 0 HA SER A 129 8.619 23.273 -36.445 1.00 52.33 H new ATOM 0 HB2 SER A 129 5.975 23.749 -36.778 1.00 61.13 H new ATOM 0 HB3 SER A 129 6.215 24.647 -35.293 1.00 61.13 H new ATOM 0 HG SER A 129 6.598 25.945 -37.175 1.00 64.11 H new ATOM 2031 N GLN A 130 9.650 23.634 -34.224 1.00 23.12 N ATOM 2032 CA GLN A 130 10.289 23.974 -32.958 1.00 72.05 C ATOM 2033 C GLN A 130 11.626 24.668 -33.192 1.00 41.23 C ATOM 2034 O GLN A 130 12.382 24.294 -34.087 1.00 31.04 O ATOM 2035 CB GLN A 130 10.493 22.717 -32.112 1.00 5.21 C ATOM 2036 CG GLN A 130 9.355 22.443 -31.143 1.00 73.13 C ATOM 2037 CD GLN A 130 9.495 21.108 -30.438 1.00 2.52 C ATOM 2038 OE1 GLN A 130 8.653 20.223 -30.587 1.00 2.45 O ATOM 2039 NE2 GLN A 130 10.564 20.956 -29.666 1.00 4.20 N ATOM 0 H GLN A 130 10.300 23.415 -34.979 1.00 23.12 H new ATOM 0 HA GLN A 130 9.634 24.661 -32.422 1.00 72.05 H new ATOM 0 HB2 GLN A 130 10.610 21.859 -32.774 1.00 5.21 H new ATOM 0 HB3 GLN A 130 11.422 22.815 -31.550 1.00 5.21 H new ATOM 0 HG2 GLN A 130 9.317 23.239 -30.400 1.00 73.13 H new ATOM 0 HG3 GLN A 130 8.409 22.466 -31.684 1.00 73.13 H new ATOM 0 HE21 GLN A 130 11.237 21.717 -29.571 1.00 4.20 H new ATOM 0 HE22 GLN A 130 10.713 20.079 -29.168 1.00 4.20 H new ATOM 2048 N ASN A 131 11.912 25.681 -32.379 1.00 20.14 N ATOM 2049 CA ASN A 131 13.159 26.428 -32.499 1.00 45.52 C ATOM 2050 C ASN A 131 14.007 26.275 -31.239 1.00 30.22 C ATOM 2051 O ASN A 131 13.480 26.181 -30.131 1.00 12.43 O ATOM 2052 CB ASN A 131 12.868 27.908 -32.755 1.00 45.02 C ATOM 2053 CG ASN A 131 14.090 28.660 -33.248 1.00 52.24 C ATOM 2054 OD1 ASN A 131 14.944 28.097 -33.934 1.00 71.44 O ATOM 2055 ND2 ASN A 131 14.178 29.938 -32.899 1.00 43.20 N ATOM 0 H ASN A 131 11.298 26.003 -31.631 1.00 20.14 H new ATOM 0 HA ASN A 131 13.717 26.023 -33.343 1.00 45.52 H new ATOM 0 HB2 ASN A 131 12.069 27.997 -33.491 1.00 45.02 H new ATOM 0 HB3 ASN A 131 12.507 28.369 -31.836 1.00 45.02 H new ATOM 0 HD21 ASN A 131 14.977 30.495 -33.201 1.00 43.20 H new ATOM 0 HD22 ASN A 131 13.446 30.363 -32.329 1.00 43.20 H new ATOM 2062 N TYR A 132 15.323 26.252 -31.419 1.00 65.33 N ATOM 2063 CA TYR A 132 16.244 26.109 -30.297 1.00 25.23 C ATOM 2064 C TYR A 132 16.118 27.286 -29.336 1.00 51.15 C ATOM 2065 O TYR A 132 16.189 28.444 -29.743 1.00 34.30 O ATOM 2066 CB TYR A 132 17.684 26.003 -30.804 1.00 42.21 C ATOM 2067 CG TYR A 132 18.647 25.451 -29.778 1.00 64.54 C ATOM 2068 CD1 TYR A 132 19.259 26.288 -28.851 1.00 51.32 C ATOM 2069 CD2 TYR A 132 18.948 24.096 -29.735 1.00 0.12 C ATOM 2070 CE1 TYR A 132 20.141 25.788 -27.912 1.00 70.21 C ATOM 2071 CE2 TYR A 132 19.827 23.588 -28.799 1.00 10.30 C ATOM 2072 CZ TYR A 132 20.421 24.438 -27.889 1.00 50.02 C ATOM 2073 OH TYR A 132 21.298 23.936 -26.955 1.00 22.01 O ATOM 0 H TYR A 132 15.776 26.330 -32.330 1.00 65.33 H new ATOM 0 HA TYR A 132 15.985 25.196 -29.761 1.00 25.23 H new ATOM 0 HB2 TYR A 132 17.703 25.366 -31.688 1.00 42.21 H new ATOM 0 HB3 TYR A 132 18.024 26.991 -31.115 1.00 42.21 H new ATOM 0 HD1 TYR A 132 19.041 27.346 -28.865 1.00 51.32 H new ATOM 0 HD2 TYR A 132 18.486 23.427 -30.446 1.00 0.12 H new ATOM 0 HE1 TYR A 132 20.609 26.451 -27.200 1.00 70.21 H new ATOM 0 HE2 TYR A 132 20.048 22.531 -28.779 1.00 10.30 H new ATOM 0 HH TYR A 132 21.384 22.967 -27.074 1.00 22.01 H new TER 2083 TYR A 132