USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1096 hydrogens (48 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 29 TYR OH : rot 167:sc= 0.463 USER MOD Set 1.2: A 80 ASN : amide:sc= -4.44! C(o=-2.7!,f=-2.6!) USER MOD Set 1.3: A 81 THR OG1 : rot 73:sc= 0.109 USER MOD Set 1.4: A 97 THR OG1 : rot 55:sc= 1.15 USER MOD Set 2.1: A 65 GLN : amide:sc= 0.0235 K(o=0.33,f=-2.1) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 108 GLN :FLIP amide:sc= 0.31 F(o=-0.55,f=0.33) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0582 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0 X(o=0,f=0) 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= -3.62! C(o=-3.6!,f=-9.4!) USER MOD Single : A 38 SER OG : rot 64:sc= 1.18 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 53 THR OG1 : rot -41:sc= 1.47 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.244 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.0248 K(o=-0.025,f=-1.6) 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) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0696 USER MOD Single : A 77 SER OG : rot 56:sc= 0.27 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.859 USER MOD Single : A 87 CYS SG : rot 79:sc= 0.21 USER MOD Single : A 89 HIS : +bothHN:sc= -0.387! C(o=-0.39!,f=-3.9!) USER MOD Single : A 90 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.34) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00713) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000816) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.079) USER MOD Single : A 117 GLN : amide:sc= -0.793 X(o=-0.79,f=-0.4) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 124 ASN :FLIP amide:sc= 1.11 F(o=-0.061,f=1.1) USER MOD Single : A 125 ASN : amide:sc= -0.304 K(o=-0.3,f=-2.4) USER MOD Single : A 126 SER OG : rot 180:sc= -0.02 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 129 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 130 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.16) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -6.506 -8.181 -10.297 1.00 13.00 N ATOM 2 CA GLY A 2 -7.491 -7.119 -10.208 1.00 45.03 C ATOM 3 C GLY A 2 -6.880 -5.794 -9.798 1.00 40.13 C ATOM 4 O GLY A 2 -7.014 -4.795 -10.504 1.00 63.11 O ATOM 0 HA2 GLY A 2 -7.985 -7.005 -11.173 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -8.259 -7.400 -9.487 1.00 45.03 H new ATOM 8 N ALA A 3 -6.207 -5.784 -8.652 1.00 22.14 N ATOM 9 CA ALA A 3 -5.573 -4.573 -8.148 1.00 51.23 C ATOM 10 C ALA A 3 -6.604 -3.480 -7.889 1.00 63.32 C ATOM 11 O ALA A 3 -7.792 -3.657 -8.163 1.00 54.24 O ATOM 12 CB ALA A 3 -4.517 -4.083 -9.129 1.00 65.00 C ATOM 0 H ALA A 3 -6.087 -6.602 -8.055 1.00 22.14 H new ATOM 0 HA ALA A 3 -5.091 -4.813 -7.200 1.00 51.23 H new ATOM 0 HB1 ALA A 3 -4.051 -3.178 -8.740 1.00 65.00 H new ATOM 0 HB2 ALA A 3 -3.758 -4.854 -9.261 1.00 65.00 H new ATOM 0 HB3 ALA A 3 -4.985 -3.866 -10.089 1.00 65.00 H new ATOM 18 N ARG A 4 -6.145 -2.352 -7.359 1.00 52.31 N ATOM 19 CA ARG A 4 -7.028 -1.231 -7.061 1.00 60.42 C ATOM 20 C ARG A 4 -6.888 -0.133 -8.111 1.00 32.33 C ATOM 21 O ARG A 4 -6.164 -0.289 -9.094 1.00 12.14 O ATOM 22 CB ARG A 4 -6.721 -0.666 -5.672 1.00 4.24 C ATOM 23 CG ARG A 4 -5.248 -0.365 -5.451 1.00 23.22 C ATOM 24 CD ARG A 4 -5.017 0.336 -4.121 1.00 51.03 C ATOM 25 NE ARG A 4 -5.146 -0.579 -2.990 1.00 63.31 N ATOM 26 CZ ARG A 4 -4.179 -1.398 -2.594 1.00 75.41 C ATOM 27 NH1 ARG A 4 -3.017 -1.416 -3.233 1.00 42.33 N1+ ATOM 28 NH2 ARG A 4 -4.372 -2.202 -1.556 1.00 71.05 N ATOM 0 H ARG A 4 -5.165 -2.190 -7.127 1.00 52.31 H new ATOM 0 HA ARG A 4 -8.055 -1.597 -7.078 1.00 60.42 H new ATOM 0 HB2 ARG A 4 -7.296 0.248 -5.525 1.00 4.24 H new ATOM 0 HB3 ARG A 4 -7.055 -1.378 -4.917 1.00 4.24 H new ATOM 0 HG2 ARG A 4 -4.678 -1.293 -5.478 1.00 23.22 H new ATOM 0 HG3 ARG A 4 -4.877 0.261 -6.263 1.00 23.22 H new ATOM 0 HD2 ARG A 4 -4.023 0.782 -4.114 1.00 51.03 H new ATOM 0 HD3 ARG A 4 -5.733 1.151 -4.012 1.00 51.03 H new ATOM 0 HE ARG A 4 -6.027 -0.589 -2.476 1.00 63.31 H new ATOM 0 HH11 ARG A 4 -2.864 -0.799 -4.031 1.00 42.33 H new ATOM 0 HH12 ARG A 4 -2.276 -2.046 -2.926 1.00 42.33 H new ATOM 0 HH21 ARG A 4 -5.264 -2.191 -1.061 1.00 71.05 H new ATOM 0 HH22 ARG A 4 -3.628 -2.831 -1.253 1.00 71.05 H new ATOM 42 N ALA A 5 -7.585 0.977 -7.896 1.00 40.20 N ATOM 43 CA ALA A 5 -7.537 2.101 -8.823 1.00 73.22 C ATOM 44 C ALA A 5 -7.551 3.431 -8.075 1.00 33.32 C ATOM 45 O ALA A 5 -6.765 4.329 -8.372 1.00 52.13 O ATOM 46 CB ALA A 5 -8.700 2.031 -9.800 1.00 64.32 C ATOM 0 H ALA A 5 -8.190 1.122 -7.088 1.00 40.20 H new ATOM 0 HA ALA A 5 -6.604 2.038 -9.382 1.00 73.22 H new ATOM 0 HB1 ALA A 5 -8.651 2.877 -10.486 1.00 64.32 H new ATOM 0 HB2 ALA A 5 -8.644 1.101 -10.366 1.00 64.32 H new ATOM 0 HB3 ALA A 5 -9.640 2.065 -9.250 1.00 64.32 H new ATOM 52 N SER A 6 -8.450 3.548 -7.103 1.00 23.31 N ATOM 53 CA SER A 6 -8.570 4.769 -6.315 1.00 31.43 C ATOM 54 C SER A 6 -8.766 5.981 -7.219 1.00 63.15 C ATOM 55 O SER A 6 -8.249 7.065 -6.946 1.00 60.32 O ATOM 56 CB SER A 6 -7.326 4.964 -5.445 1.00 20.41 C ATOM 57 OG SER A 6 -6.988 3.767 -4.765 1.00 34.03 O ATOM 0 H SER A 6 -9.106 2.812 -6.842 1.00 23.31 H new ATOM 0 HA SER A 6 -9.444 4.672 -5.671 1.00 31.43 H new ATOM 0 HB2 SER A 6 -6.489 5.282 -6.067 1.00 20.41 H new ATOM 0 HB3 SER A 6 -7.505 5.759 -4.721 1.00 20.41 H new ATOM 0 HG SER A 6 -6.189 3.916 -4.217 1.00 34.03 H new ATOM 63 N VAL A 7 -9.517 5.791 -8.300 1.00 61.50 N ATOM 64 CA VAL A 7 -9.784 6.868 -9.246 1.00 74.30 C ATOM 65 C VAL A 7 -11.022 7.659 -8.842 1.00 24.32 C ATOM 66 O VAL A 7 -10.944 8.855 -8.557 1.00 12.32 O ATOM 67 CB VAL A 7 -9.976 6.326 -10.674 1.00 23.21 C ATOM 68 CG1 VAL A 7 -10.193 7.469 -11.654 1.00 11.22 C ATOM 69 CG2 VAL A 7 -8.784 5.477 -11.087 1.00 22.44 C ATOM 0 H VAL A 7 -9.951 4.900 -8.542 1.00 61.50 H new ATOM 0 HA VAL A 7 -8.915 7.526 -9.230 1.00 74.30 H new ATOM 0 HB VAL A 7 -10.864 5.694 -10.688 1.00 23.21 H new ATOM 0 HG11 VAL A 7 -10.327 7.067 -12.658 1.00 11.22 H new ATOM 0 HG12 VAL A 7 -11.082 8.031 -11.367 1.00 11.22 H new ATOM 0 HG13 VAL A 7 -9.326 8.130 -11.640 1.00 11.22 H new ATOM 0 HG21 VAL A 7 -8.937 5.102 -12.099 1.00 22.44 H new ATOM 0 HG22 VAL A 7 -7.878 6.083 -11.058 1.00 22.44 H new ATOM 0 HG23 VAL A 7 -8.681 4.636 -10.401 1.00 22.44 H new ATOM 79 N LEU A 8 -12.167 6.984 -8.818 1.00 54.03 N ATOM 80 CA LEU A 8 -13.424 7.624 -8.448 1.00 43.52 C ATOM 81 C LEU A 8 -13.976 7.034 -7.154 1.00 72.03 C ATOM 82 O LEU A 8 -14.143 5.820 -7.035 1.00 52.13 O ATOM 83 CB LEU A 8 -14.450 7.464 -9.573 1.00 75.42 C ATOM 84 CG LEU A 8 -14.107 8.148 -10.896 1.00 73.34 C ATOM 85 CD1 LEU A 8 -15.156 7.828 -11.949 1.00 14.42 C ATOM 86 CD2 LEU A 8 -13.985 9.653 -10.702 1.00 41.14 C ATOM 0 H LEU A 8 -12.250 5.994 -9.050 1.00 54.03 H new ATOM 0 HA LEU A 8 -13.230 8.685 -8.288 1.00 43.52 H new ATOM 0 HB2 LEU A 8 -14.589 6.400 -9.763 1.00 75.42 H new ATOM 0 HB3 LEU A 8 -15.406 7.853 -9.223 1.00 75.42 H new ATOM 0 HG LEU A 8 -13.146 7.767 -11.242 1.00 73.34 H new ATOM 0 HD11 LEU A 8 -14.896 8.323 -12.884 1.00 14.42 H new ATOM 0 HD12 LEU A 8 -15.195 6.750 -12.108 1.00 14.42 H new ATOM 0 HD13 LEU A 8 -16.130 8.181 -11.611 1.00 14.42 H new ATOM 0 HD21 LEU A 8 -13.740 10.124 -11.654 1.00 41.14 H new ATOM 0 HD22 LEU A 8 -14.931 10.050 -10.333 1.00 41.14 H new ATOM 0 HD23 LEU A 8 -13.196 9.864 -9.980 1.00 41.14 H new ATOM 98 N SER A 9 -14.257 7.902 -6.187 1.00 4.14 N ATOM 99 CA SER A 9 -14.788 7.466 -4.901 1.00 62.13 C ATOM 100 C SER A 9 -16.262 7.088 -5.021 1.00 1.32 C ATOM 101 O SER A 9 -16.809 7.021 -6.121 1.00 62.53 O ATOM 102 CB SER A 9 -14.617 8.570 -3.855 1.00 70.40 C ATOM 103 OG SER A 9 -15.771 9.390 -3.785 1.00 10.21 O ATOM 0 H SER A 9 -14.126 8.910 -6.270 1.00 4.14 H new ATOM 0 HA SER A 9 -14.230 6.585 -4.585 1.00 62.13 H new ATOM 0 HB2 SER A 9 -14.424 8.124 -2.879 1.00 70.40 H new ATOM 0 HB3 SER A 9 -13.748 9.180 -4.104 1.00 70.40 H new ATOM 0 HG SER A 9 -15.637 10.086 -3.108 1.00 10.21 H new ATOM 109 N GLY A 10 -16.898 6.842 -3.880 1.00 30.32 N ATOM 110 CA GLY A 10 -18.302 6.473 -3.878 1.00 34.20 C ATOM 111 C GLY A 10 -19.166 7.478 -4.613 1.00 1.30 C ATOM 112 O GLY A 10 -19.964 7.109 -5.474 1.00 51.43 O ATOM 0 H GLY A 10 -16.467 6.892 -2.957 1.00 30.32 H new ATOM 0 HA2 GLY A 10 -18.418 5.492 -4.340 1.00 34.20 H new ATOM 0 HA3 GLY A 10 -18.650 6.383 -2.849 1.00 34.20 H new ATOM 116 N GLY A 11 -19.009 8.753 -4.271 1.00 4.01 N ATOM 117 CA GLY A 11 -19.790 9.795 -4.912 1.00 4.44 C ATOM 118 C GLY A 11 -19.443 9.959 -6.379 1.00 30.12 C ATOM 119 O GLY A 11 -20.330 10.047 -7.227 1.00 42.24 O ATOM 0 H GLY A 11 -18.355 9.083 -3.561 1.00 4.01 H new ATOM 0 HA2 GLY A 11 -20.850 9.561 -4.816 1.00 4.44 H new ATOM 0 HA3 GLY A 11 -19.624 10.740 -4.395 1.00 4.44 H new ATOM 123 N GLU A 12 -18.148 10.002 -6.678 1.00 1.05 N ATOM 124 CA GLU A 12 -17.688 10.159 -8.053 1.00 34.23 C ATOM 125 C GLU A 12 -18.146 8.988 -8.918 1.00 33.04 C ATOM 126 O GLU A 12 -18.367 9.139 -10.121 1.00 74.41 O ATOM 127 CB GLU A 12 -16.161 10.270 -8.093 1.00 64.11 C ATOM 128 CG GLU A 12 -15.599 11.278 -7.106 1.00 75.11 C ATOM 129 CD GLU A 12 -14.102 11.465 -7.253 1.00 74.52 C ATOM 130 OE1 GLU A 12 -13.344 10.679 -6.646 1.00 22.33 O ATOM 131 OE2 GLU A 12 -13.687 12.398 -7.973 1.00 30.42 O1- ATOM 0 H GLU A 12 -17.400 9.930 -5.988 1.00 1.05 H new ATOM 0 HA GLU A 12 -18.123 11.075 -8.452 1.00 34.23 H new ATOM 0 HB2 GLU A 12 -15.728 9.291 -7.886 1.00 64.11 H new ATOM 0 HB3 GLU A 12 -15.852 10.549 -9.100 1.00 64.11 H new ATOM 0 HG2 GLU A 12 -16.097 12.237 -7.248 1.00 75.11 H new ATOM 0 HG3 GLU A 12 -15.823 10.950 -6.091 1.00 75.11 H new ATOM 138 N LEU A 13 -18.286 7.822 -8.298 1.00 63.33 N ATOM 139 CA LEU A 13 -18.718 6.623 -9.010 1.00 55.43 C ATOM 140 C LEU A 13 -20.147 6.779 -9.520 1.00 61.41 C ATOM 141 O LEU A 13 -20.415 6.605 -10.710 1.00 73.30 O ATOM 142 CB LEU A 13 -18.619 5.400 -8.097 1.00 1.21 C ATOM 143 CG LEU A 13 -18.684 4.039 -8.790 1.00 14.44 C ATOM 144 CD1 LEU A 13 -17.477 3.844 -9.696 1.00 12.13 C ATOM 145 CD2 LEU A 13 -18.767 2.921 -7.762 1.00 22.34 C ATOM 0 H LEU A 13 -18.107 7.680 -7.304 1.00 63.33 H new ATOM 0 HA LEU A 13 -18.060 6.481 -9.867 1.00 55.43 H new ATOM 0 HB2 LEU A 13 -17.682 5.459 -7.544 1.00 1.21 H new ATOM 0 HB3 LEU A 13 -19.425 5.452 -7.365 1.00 1.21 H new ATOM 0 HG LEU A 13 -19.584 4.008 -9.405 1.00 14.44 H new ATOM 0 HD11 LEU A 13 -17.540 2.870 -10.181 1.00 12.13 H new ATOM 0 HD12 LEU A 13 -17.461 4.627 -10.454 1.00 12.13 H new ATOM 0 HD13 LEU A 13 -16.564 3.895 -9.102 1.00 12.13 H new ATOM 0 HD21 LEU A 13 -18.813 1.959 -8.273 1.00 22.34 H new ATOM 0 HD22 LEU A 13 -17.886 2.950 -7.121 1.00 22.34 H new ATOM 0 HD23 LEU A 13 -19.662 3.051 -7.154 1.00 22.34 H new ATOM 157 N ASP A 14 -21.060 7.108 -8.613 1.00 1.14 N ATOM 158 CA ASP A 14 -22.462 7.289 -8.971 1.00 42.03 C ATOM 159 C ASP A 14 -22.603 8.258 -10.142 1.00 73.53 C ATOM 160 O ASP A 14 -23.272 7.961 -11.131 1.00 23.42 O ATOM 161 CB ASP A 14 -23.255 7.804 -7.769 1.00 21.34 C ATOM 162 CG ASP A 14 -24.734 7.487 -7.873 1.00 23.34 C ATOM 163 OD1 ASP A 14 -25.072 6.366 -8.308 1.00 61.41 O1- ATOM 164 OD2 ASP A 14 -25.555 8.361 -7.520 1.00 33.24 O ATOM 0 H ASP A 14 -20.855 7.255 -7.625 1.00 1.14 H new ATOM 0 HA ASP A 14 -22.862 6.321 -9.273 1.00 42.03 H new ATOM 0 HB2 ASP A 14 -22.855 7.362 -6.857 1.00 21.34 H new ATOM 0 HB3 ASP A 14 -23.122 8.883 -7.685 1.00 21.34 H new ATOM 169 N LYS A 15 -21.969 9.419 -10.021 1.00 73.13 N ATOM 170 CA LYS A 15 -22.022 10.434 -11.067 1.00 23.44 C ATOM 171 C LYS A 15 -21.359 9.931 -12.346 1.00 34.42 C ATOM 172 O LYS A 15 -21.836 10.194 -13.448 1.00 41.52 O ATOM 173 CB LYS A 15 -21.338 11.719 -10.596 1.00 21.35 C ATOM 174 CG LYS A 15 -22.109 12.456 -9.515 1.00 72.50 C ATOM 175 CD LYS A 15 -23.409 13.031 -10.051 1.00 74.24 C ATOM 176 CE LYS A 15 -24.571 12.752 -9.111 1.00 21.41 C ATOM 177 NZ LYS A 15 -25.875 12.730 -9.831 1.00 11.25 N1+ ATOM 0 H LYS A 15 -21.412 9.681 -9.208 1.00 73.13 H new ATOM 0 HA LYS A 15 -23.070 10.646 -11.280 1.00 23.44 H new ATOM 0 HB2 LYS A 15 -20.344 11.475 -10.220 1.00 21.35 H new ATOM 0 HB3 LYS A 15 -21.202 12.382 -11.450 1.00 21.35 H new ATOM 0 HG2 LYS A 15 -22.324 11.775 -8.691 1.00 72.50 H new ATOM 0 HG3 LYS A 15 -21.493 13.260 -9.112 1.00 72.50 H new ATOM 0 HD2 LYS A 15 -23.302 14.107 -10.190 1.00 74.24 H new ATOM 0 HD3 LYS A 15 -23.621 12.603 -11.031 1.00 74.24 H new ATOM 0 HE2 LYS A 15 -24.414 11.794 -8.614 1.00 21.41 H new ATOM 0 HE3 LYS A 15 -24.599 13.514 -8.332 1.00 21.41 H new ATOM 0 HZ1 LYS A 15 -26.642 12.537 -9.155 1.00 11.25 H new ATOM 0 HZ2 LYS A 15 -26.037 13.652 -10.284 1.00 11.25 H new ATOM 0 HZ3 LYS A 15 -25.858 11.986 -10.557 1.00 11.25 H new ATOM 191 N TRP A 16 -20.256 9.206 -12.189 1.00 51.15 N ATOM 192 CA TRP A 16 -19.528 8.667 -13.332 1.00 4.11 C ATOM 193 C TRP A 16 -20.424 7.760 -14.169 1.00 42.01 C ATOM 194 O TRP A 16 -20.626 8.000 -15.358 1.00 42.43 O ATOM 195 CB TRP A 16 -18.298 7.892 -12.858 1.00 14.23 C ATOM 196 CG TRP A 16 -17.559 7.213 -13.972 1.00 74.01 C ATOM 197 CD1 TRP A 16 -17.606 5.888 -14.299 1.00 32.32 C ATOM 198 CD2 TRP A 16 -16.660 7.827 -14.903 1.00 63.41 C ATOM 199 NE1 TRP A 16 -16.791 5.640 -15.377 1.00 54.42 N ATOM 200 CE2 TRP A 16 -16.201 6.814 -15.767 1.00 14.01 C ATOM 201 CE3 TRP A 16 -16.201 9.133 -15.093 1.00 72.10 C ATOM 202 CZ2 TRP A 16 -15.304 7.069 -16.802 1.00 63.31 C ATOM 203 CZ3 TRP A 16 -15.312 9.384 -16.119 1.00 70.01 C ATOM 204 CH2 TRP A 16 -14.871 8.356 -16.964 1.00 43.52 C ATOM 0 H TRP A 16 -19.847 8.978 -11.283 1.00 51.15 H new ATOM 0 HA TRP A 16 -19.206 9.502 -13.954 1.00 4.11 H new ATOM 0 HB2 TRP A 16 -17.621 8.576 -12.346 1.00 14.23 H new ATOM 0 HB3 TRP A 16 -18.607 7.144 -12.128 1.00 14.23 H new ATOM 0 HD1 TRP A 16 -18.197 5.144 -13.786 1.00 32.32 H new ATOM 0 HE1 TRP A 16 -16.648 4.730 -15.816 1.00 54.42 H new ATOM 0 HE3 TRP A 16 -16.536 9.932 -14.448 1.00 72.10 H new ATOM 0 HZ2 TRP A 16 -14.963 6.278 -17.453 1.00 63.31 H new ATOM 0 HZ3 TRP A 16 -14.950 10.390 -16.273 1.00 70.01 H new ATOM 0 HH2 TRP A 16 -14.176 8.585 -17.758 1.00 43.52 H new ATOM 215 N GLU A 17 -20.958 6.718 -13.539 1.00 34.13 N ATOM 216 CA GLU A 17 -21.832 5.775 -14.228 1.00 11.30 C ATOM 217 C GLU A 17 -23.019 6.496 -14.861 1.00 71.13 C ATOM 218 O GLU A 17 -23.595 6.027 -15.842 1.00 34.05 O ATOM 219 CB GLU A 17 -22.331 4.704 -13.256 1.00 12.42 C ATOM 220 CG GLU A 17 -21.261 3.704 -12.852 1.00 54.22 C ATOM 221 CD GLU A 17 -21.812 2.566 -12.014 1.00 42.31 C ATOM 222 OE1 GLU A 17 -23.035 2.323 -12.076 1.00 31.24 O1- ATOM 223 OE2 GLU A 17 -21.020 1.919 -11.298 1.00 14.40 O ATOM 0 H GLU A 17 -20.801 6.506 -12.554 1.00 34.13 H new ATOM 0 HA GLU A 17 -21.255 5.296 -15.020 1.00 11.30 H new ATOM 0 HB2 GLU A 17 -22.719 5.190 -12.361 1.00 12.42 H new ATOM 0 HB3 GLU A 17 -23.163 4.169 -13.714 1.00 12.42 H new ATOM 0 HG2 GLU A 17 -20.793 3.297 -13.748 1.00 54.22 H new ATOM 0 HG3 GLU A 17 -20.481 4.219 -12.291 1.00 54.22 H new ATOM 230 N LYS A 18 -23.380 7.641 -14.291 1.00 53.51 N ATOM 231 CA LYS A 18 -24.496 8.429 -14.797 1.00 44.24 C ATOM 232 C LYS A 18 -24.115 9.151 -16.086 1.00 34.24 C ATOM 233 O LYS A 18 -24.809 9.043 -17.097 1.00 54.15 O ATOM 234 CB LYS A 18 -24.948 9.446 -13.747 1.00 74.34 C ATOM 235 CG LYS A 18 -26.415 9.325 -13.373 1.00 71.42 C ATOM 236 CD LYS A 18 -26.683 8.067 -12.564 1.00 55.34 C ATOM 237 CE LYS A 18 -28.084 8.073 -11.972 1.00 10.15 C ATOM 238 NZ LYS A 18 -28.098 8.612 -10.583 1.00 11.43 N1+ ATOM 0 H LYS A 18 -22.915 8.044 -13.477 1.00 53.51 H new ATOM 0 HA LYS A 18 -25.319 7.747 -15.013 1.00 44.24 H new ATOM 0 HB2 LYS A 18 -24.342 9.322 -12.850 1.00 74.34 H new ATOM 0 HB3 LYS A 18 -24.760 10.452 -14.123 1.00 74.34 H new ATOM 0 HG2 LYS A 18 -26.718 10.200 -12.798 1.00 71.42 H new ATOM 0 HG3 LYS A 18 -27.022 9.313 -14.278 1.00 71.42 H new ATOM 0 HD2 LYS A 18 -26.560 7.191 -13.200 1.00 55.34 H new ATOM 0 HD3 LYS A 18 -25.949 7.985 -11.763 1.00 55.34 H new ATOM 0 HE2 LYS A 18 -28.741 8.673 -12.601 1.00 10.15 H new ATOM 0 HE3 LYS A 18 -28.482 7.058 -11.972 1.00 10.15 H new ATOM 0 HZ1 LYS A 18 -29.071 8.599 -10.215 1.00 11.43 H new ATOM 0 HZ2 LYS A 18 -27.491 8.024 -9.976 1.00 11.43 H new ATOM 0 HZ3 LYS A 18 -27.742 9.589 -10.586 1.00 11.43 H new ATOM 252 N ILE A 19 -23.006 9.882 -16.043 1.00 63.10 N ATOM 253 CA ILE A 19 -22.531 10.618 -17.208 1.00 22.11 C ATOM 254 C ILE A 19 -22.439 9.711 -18.430 1.00 41.21 C ATOM 255 O ILE A 19 -22.088 8.536 -18.320 1.00 23.01 O ATOM 256 CB ILE A 19 -21.152 11.253 -16.949 1.00 30.24 C ATOM 257 CG1 ILE A 19 -21.219 12.199 -15.749 1.00 44.04 C ATOM 258 CG2 ILE A 19 -20.668 11.992 -18.188 1.00 64.13 C ATOM 259 CD1 ILE A 19 -20.057 12.048 -14.793 1.00 31.04 C ATOM 0 H ILE A 19 -22.420 9.980 -15.214 1.00 63.10 H new ATOM 0 HA ILE A 19 -23.256 11.409 -17.399 1.00 22.11 H new ATOM 0 HB ILE A 19 -20.440 10.460 -16.722 1.00 30.24 H new ATOM 0 HG12 ILE A 19 -21.251 13.227 -16.109 1.00 44.04 H new ATOM 0 HG13 ILE A 19 -22.149 12.021 -15.208 1.00 44.04 H new ATOM 0 HG21 ILE A 19 -19.692 12.435 -17.989 1.00 64.13 H new ATOM 0 HG22 ILE A 19 -20.586 11.293 -19.020 1.00 64.13 H new ATOM 0 HG23 ILE A 19 -21.378 12.778 -18.443 1.00 64.13 H new ATOM 0 HD11 ILE A 19 -20.172 12.750 -13.967 1.00 31.04 H new ATOM 0 HD12 ILE A 19 -20.036 11.030 -14.404 1.00 31.04 H new ATOM 0 HD13 ILE A 19 -19.125 12.255 -15.318 1.00 31.04 H new ATOM 271 N ARG A 20 -22.755 10.266 -19.596 1.00 4.22 N ATOM 272 CA ARG A 20 -22.708 9.507 -20.841 1.00 25.23 C ATOM 273 C ARG A 20 -21.518 9.935 -21.694 1.00 70.44 C ATOM 274 O ARG A 20 -21.009 11.048 -21.553 1.00 1.51 O ATOM 275 CB ARG A 20 -24.007 9.696 -21.627 1.00 25.14 C ATOM 276 CG ARG A 20 -25.260 9.465 -20.798 1.00 4.04 C ATOM 277 CD ARG A 20 -26.520 9.748 -21.602 1.00 52.01 C ATOM 278 NE ARG A 20 -27.550 10.395 -20.794 1.00 51.40 N ATOM 279 CZ ARG A 20 -28.744 10.740 -21.265 1.00 31.21 C ATOM 280 NH1 ARG A 20 -29.055 10.501 -22.531 1.00 24.44 N1+ ATOM 281 NH2 ARG A 20 -29.629 11.325 -20.467 1.00 33.31 N ATOM 0 H ARG A 20 -23.046 11.238 -19.705 1.00 4.22 H new ATOM 0 HA ARG A 20 -22.593 8.452 -20.591 1.00 25.23 H new ATOM 0 HB2 ARG A 20 -24.032 10.707 -22.033 1.00 25.14 H new ATOM 0 HB3 ARG A 20 -24.011 9.011 -22.475 1.00 25.14 H new ATOM 0 HG2 ARG A 20 -25.278 8.435 -20.443 1.00 4.04 H new ATOM 0 HG3 ARG A 20 -25.238 10.106 -19.917 1.00 4.04 H new ATOM 0 HD2 ARG A 20 -26.273 10.384 -22.452 1.00 52.01 H new ATOM 0 HD3 ARG A 20 -26.910 8.814 -22.006 1.00 52.01 H new ATOM 0 HE ARG A 20 -27.342 10.593 -19.815 1.00 51.40 H new ATOM 0 HH11 ARG A 20 -28.377 10.051 -23.146 1.00 24.44 H new ATOM 0 HH12 ARG A 20 -29.972 10.767 -22.890 1.00 24.44 H new ATOM 0 HH21 ARG A 20 -29.393 11.510 -19.492 1.00 33.31 H new ATOM 0 HH22 ARG A 20 -30.545 11.590 -20.829 1.00 33.31 H new ATOM 295 N LEU A 21 -21.078 9.045 -22.577 1.00 65.24 N ATOM 296 CA LEU A 21 -19.948 9.330 -23.453 1.00 53.00 C ATOM 297 C LEU A 21 -20.329 10.353 -24.519 1.00 70.04 C ATOM 298 O LEU A 21 -19.477 11.086 -25.023 1.00 32.52 O ATOM 299 CB LEU A 21 -19.455 8.044 -24.117 1.00 21.55 C ATOM 300 CG LEU A 21 -19.197 6.862 -23.182 1.00 54.41 C ATOM 301 CD1 LEU A 21 -19.642 5.560 -23.830 1.00 42.33 C ATOM 302 CD2 LEU A 21 -17.724 6.794 -22.803 1.00 25.33 C ATOM 0 H LEU A 21 -21.487 8.120 -22.705 1.00 65.24 H new ATOM 0 HA LEU A 21 -19.146 9.748 -22.845 1.00 53.00 H new ATOM 0 HB2 LEU A 21 -20.190 7.739 -24.862 1.00 21.55 H new ATOM 0 HB3 LEU A 21 -18.532 8.266 -24.652 1.00 21.55 H new ATOM 0 HG LEU A 21 -19.780 7.009 -22.273 1.00 54.41 H new ATOM 0 HD11 LEU A 21 -19.450 4.731 -23.149 1.00 42.33 H new ATOM 0 HD12 LEU A 21 -20.708 5.609 -24.051 1.00 42.33 H new ATOM 0 HD13 LEU A 21 -19.087 5.406 -24.755 1.00 42.33 H new ATOM 0 HD21 LEU A 21 -17.558 5.947 -22.137 1.00 25.33 H new ATOM 0 HD22 LEU A 21 -17.122 6.671 -23.703 1.00 25.33 H new ATOM 0 HD23 LEU A 21 -17.436 7.715 -22.297 1.00 25.33 H new ATOM 314 N ARG A 22 -21.613 10.399 -24.856 1.00 23.32 N ATOM 315 CA ARG A 22 -22.107 11.332 -25.861 1.00 33.14 C ATOM 316 C ARG A 22 -23.483 11.867 -25.476 1.00 53.20 C ATOM 317 O ARG A 22 -24.203 11.277 -24.670 1.00 1.31 O ATOM 318 CB ARG A 22 -22.177 10.652 -27.229 1.00 24.14 C ATOM 319 CG ARG A 22 -20.943 10.878 -28.087 1.00 75.51 C ATOM 320 CD ARG A 22 -20.768 9.772 -29.115 1.00 30.40 C ATOM 321 NE ARG A 22 -19.532 9.021 -28.906 1.00 45.31 N ATOM 322 CZ ARG A 22 -19.088 8.090 -29.743 1.00 42.04 C ATOM 323 NH1 ARG A 22 -19.775 7.797 -30.839 1.00 43.34 N1+ ATOM 324 NH2 ARG A 22 -17.956 7.449 -29.485 1.00 54.24 N ATOM 0 H ARG A 22 -22.331 9.801 -24.447 1.00 23.32 H new ATOM 0 HA ARG A 22 -21.412 12.170 -25.915 1.00 33.14 H new ATOM 0 HB2 ARG A 22 -22.318 9.581 -27.086 1.00 24.14 H new ATOM 0 HB3 ARG A 22 -23.053 11.020 -27.764 1.00 24.14 H new ATOM 0 HG2 ARG A 22 -21.023 11.839 -28.595 1.00 75.51 H new ATOM 0 HG3 ARG A 22 -20.060 10.927 -27.450 1.00 75.51 H new ATOM 0 HD2 ARG A 22 -21.618 9.092 -29.064 1.00 30.40 H new ATOM 0 HD3 ARG A 22 -20.765 10.204 -30.116 1.00 30.40 H new ATOM 0 HE ARG A 22 -18.980 9.223 -28.072 1.00 45.31 H new ATOM 0 HH11 ARG A 22 -20.647 8.287 -31.041 1.00 43.34 H new ATOM 0 HH12 ARG A 22 -19.432 7.082 -31.480 1.00 43.34 H new ATOM 0 HH21 ARG A 22 -17.425 7.671 -28.643 1.00 54.24 H new ATOM 0 HH22 ARG A 22 -17.616 6.734 -30.129 1.00 54.24 H new ATOM 338 N PRO A 23 -23.858 13.013 -26.064 1.00 35.32 N ATOM 339 CA PRO A 23 -25.149 13.654 -25.798 1.00 65.11 C ATOM 340 C PRO A 23 -26.319 12.862 -26.373 1.00 2.11 C ATOM 341 O PRO A 23 -27.363 12.726 -25.737 1.00 74.25 O ATOM 342 CB PRO A 23 -25.025 15.009 -26.500 1.00 30.51 C ATOM 343 CG PRO A 23 -24.018 14.786 -27.575 1.00 70.04 C ATOM 344 CD PRO A 23 -23.050 13.772 -27.034 1.00 24.05 C ATOM 0 HA PRO A 23 -25.354 13.729 -24.730 1.00 65.11 H new ATOM 0 HB2 PRO A 23 -25.981 15.330 -26.913 1.00 30.51 H new ATOM 0 HB3 PRO A 23 -24.700 15.786 -25.808 1.00 30.51 H new ATOM 0 HG2 PRO A 23 -24.494 14.423 -28.486 1.00 70.04 H new ATOM 0 HG3 PRO A 23 -23.508 15.715 -27.830 1.00 70.04 H new ATOM 0 HD2 PRO A 23 -22.659 13.129 -27.822 1.00 24.05 H new ATOM 0 HD3 PRO A 23 -22.193 14.249 -26.558 1.00 24.05 H new ATOM 352 N GLY A 24 -26.136 12.339 -27.582 1.00 52.24 N ATOM 353 CA GLY A 24 -27.184 11.567 -28.223 1.00 60.34 C ATOM 354 C GLY A 24 -26.820 10.103 -28.368 1.00 71.13 C ATOM 355 O GLY A 24 -26.963 9.524 -29.444 1.00 52.14 O ATOM 0 H GLY A 24 -25.280 12.436 -28.129 1.00 52.24 H new ATOM 0 HA2 GLY A 24 -28.102 11.654 -27.642 1.00 60.34 H new ATOM 0 HA3 GLY A 24 -27.389 11.986 -29.208 1.00 60.34 H new ATOM 359 N GLY A 25 -26.345 9.503 -27.280 1.00 4.25 N ATOM 360 CA GLY A 25 -25.964 8.102 -27.314 1.00 72.24 C ATOM 361 C GLY A 25 -26.955 7.215 -26.589 1.00 32.40 C ATOM 362 O GLY A 25 -28.001 7.679 -26.136 1.00 63.32 O ATOM 0 H GLY A 25 -26.217 9.961 -26.377 1.00 4.25 H new ATOM 0 HA2 GLY A 25 -25.880 7.776 -28.351 1.00 72.24 H new ATOM 0 HA3 GLY A 25 -24.979 7.985 -26.863 1.00 72.24 H new ATOM 366 N LYS A 26 -26.628 5.932 -26.479 1.00 23.12 N ATOM 367 CA LYS A 26 -27.497 4.974 -25.804 1.00 74.23 C ATOM 368 C LYS A 26 -26.722 4.178 -24.760 1.00 35.00 C ATOM 369 O LYS A 26 -27.087 3.051 -24.426 1.00 22.11 O ATOM 370 CB LYS A 26 -28.129 4.023 -26.821 1.00 11.34 C ATOM 371 CG LYS A 26 -29.643 3.949 -26.727 1.00 41.51 C ATOM 372 CD LYS A 26 -30.094 2.764 -25.891 1.00 13.43 C ATOM 373 CE LYS A 26 -31.317 3.105 -25.054 1.00 51.04 C ATOM 374 NZ LYS A 26 -32.395 2.089 -25.208 1.00 62.23 N1+ ATOM 0 H LYS A 26 -25.766 5.531 -26.849 1.00 23.12 H new ATOM 0 HA LYS A 26 -28.286 5.531 -25.298 1.00 74.23 H new ATOM 0 HB2 LYS A 26 -27.851 4.342 -27.825 1.00 11.34 H new ATOM 0 HB3 LYS A 26 -27.715 3.025 -26.678 1.00 11.34 H new ATOM 0 HG2 LYS A 26 -30.026 4.871 -26.289 1.00 41.51 H new ATOM 0 HG3 LYS A 26 -30.067 3.871 -27.728 1.00 41.51 H new ATOM 0 HD2 LYS A 26 -30.323 1.922 -26.545 1.00 13.43 H new ATOM 0 HD3 LYS A 26 -29.281 2.448 -25.237 1.00 13.43 H new ATOM 0 HE2 LYS A 26 -31.031 3.175 -24.005 1.00 51.04 H new ATOM 0 HE3 LYS A 26 -31.696 4.084 -25.347 1.00 51.04 H new ATOM 0 HZ1 LYS A 26 -33.211 2.357 -24.622 1.00 62.23 H new ATOM 0 HZ2 LYS A 26 -32.686 2.040 -26.205 1.00 62.23 H new ATOM 0 HZ3 LYS A 26 -32.042 1.159 -24.905 1.00 62.23 H new ATOM 388 N LYS A 27 -25.649 4.771 -24.246 1.00 32.44 N ATOM 389 CA LYS A 27 -24.824 4.118 -23.237 1.00 75.12 C ATOM 390 C LYS A 27 -24.177 5.147 -22.314 1.00 2.44 C ATOM 391 O LYS A 27 -23.863 6.260 -22.735 1.00 73.10 O ATOM 392 CB LYS A 27 -23.741 3.267 -23.906 1.00 63.05 C ATOM 393 CG LYS A 27 -24.129 1.807 -24.066 1.00 3.42 C ATOM 394 CD LYS A 27 -24.102 1.380 -25.525 1.00 22.31 C ATOM 395 CE LYS A 27 -23.714 -0.084 -25.669 1.00 54.21 C ATOM 396 NZ LYS A 27 -22.407 -0.244 -26.366 1.00 10.03 N1+ ATOM 0 H LYS A 27 -25.331 5.703 -24.512 1.00 32.44 H new ATOM 0 HA LYS A 27 -25.468 3.473 -22.640 1.00 75.12 H new ATOM 0 HB2 LYS A 27 -23.517 3.685 -24.888 1.00 63.05 H new ATOM 0 HB3 LYS A 27 -22.826 3.329 -23.317 1.00 63.05 H new ATOM 0 HG2 LYS A 27 -23.446 1.183 -23.490 1.00 3.42 H new ATOM 0 HG3 LYS A 27 -25.127 1.648 -23.658 1.00 3.42 H new ATOM 0 HD2 LYS A 27 -25.083 1.543 -25.971 1.00 22.31 H new ATOM 0 HD3 LYS A 27 -23.394 2.001 -26.074 1.00 22.31 H new ATOM 0 HE2 LYS A 27 -23.658 -0.544 -24.682 1.00 54.21 H new ATOM 0 HE3 LYS A 27 -24.489 -0.613 -26.224 1.00 54.21 H new ATOM 0 HZ1 LYS A 27 -22.177 -1.255 -26.445 1.00 10.03 H new ATOM 0 HZ2 LYS A 27 -22.467 0.173 -27.317 1.00 10.03 H new ATOM 0 HZ3 LYS A 27 -21.663 0.239 -25.823 1.00 10.03 H new ATOM 410 N GLN A 28 -23.981 4.766 -21.056 1.00 61.21 N ATOM 411 CA GLN A 28 -23.371 5.656 -20.075 1.00 51.22 C ATOM 412 C GLN A 28 -21.890 5.338 -19.897 1.00 21.25 C ATOM 413 O GLN A 28 -21.323 4.539 -20.643 1.00 54.52 O ATOM 414 CB GLN A 28 -24.094 5.542 -18.732 1.00 42.44 C ATOM 415 CG GLN A 28 -25.610 5.555 -18.855 1.00 12.10 C ATOM 416 CD GLN A 28 -26.305 5.460 -17.511 1.00 12.33 C ATOM 417 OE1 GLN A 28 -26.377 4.386 -16.911 1.00 4.42 O ATOM 418 NE2 GLN A 28 -26.821 6.585 -17.029 1.00 11.34 N ATOM 0 H GLN A 28 -24.235 3.848 -20.692 1.00 61.21 H new ATOM 0 HA GLN A 28 -23.463 6.678 -20.443 1.00 51.22 H new ATOM 0 HB2 GLN A 28 -23.785 4.620 -18.240 1.00 42.44 H new ATOM 0 HB3 GLN A 28 -23.783 6.366 -18.090 1.00 42.44 H new ATOM 0 HG2 GLN A 28 -25.922 6.471 -19.357 1.00 12.10 H new ATOM 0 HG3 GLN A 28 -25.927 4.723 -19.483 1.00 12.10 H new ATOM 0 HE21 GLN A 28 -26.738 7.452 -17.559 1.00 11.34 H new ATOM 0 HE22 GLN A 28 -27.300 6.582 -16.128 1.00 11.34 H new ATOM 427 N TYR A 29 -21.271 5.965 -18.904 1.00 55.41 N ATOM 428 CA TYR A 29 -19.854 5.750 -18.629 1.00 4.33 C ATOM 429 C TYR A 29 -19.654 4.543 -17.719 1.00 32.40 C ATOM 430 O TYR A 29 -20.512 4.219 -16.898 1.00 71.34 O ATOM 431 CB TYR A 29 -19.244 6.997 -17.987 1.00 33.25 C ATOM 432 CG TYR A 29 -18.501 7.879 -18.964 1.00 15.00 C ATOM 433 CD1 TYR A 29 -17.216 7.555 -19.386 1.00 65.54 C ATOM 434 CD2 TYR A 29 -19.081 9.038 -19.464 1.00 3.53 C ATOM 435 CE1 TYR A 29 -16.534 8.360 -20.277 1.00 32.25 C ATOM 436 CE2 TYR A 29 -18.406 9.847 -20.358 1.00 70.41 C ATOM 437 CZ TYR A 29 -17.133 9.504 -20.761 1.00 42.01 C ATOM 438 OH TYR A 29 -16.457 10.308 -21.650 1.00 21.43 O ATOM 0 H TYR A 29 -21.727 6.626 -18.275 1.00 55.41 H new ATOM 0 HA TYR A 29 -19.350 5.554 -19.575 1.00 4.33 H new ATOM 0 HB2 TYR A 29 -20.037 7.578 -17.516 1.00 33.25 H new ATOM 0 HB3 TYR A 29 -18.561 6.690 -17.195 1.00 33.25 H new ATOM 0 HD1 TYR A 29 -16.744 6.659 -19.011 1.00 65.54 H new ATOM 0 HD2 TYR A 29 -20.077 9.312 -19.148 1.00 3.53 H new ATOM 0 HE1 TYR A 29 -15.536 8.095 -20.593 1.00 32.25 H new ATOM 0 HE2 TYR A 29 -18.873 10.743 -20.739 1.00 70.41 H new ATOM 0 HH TYR A 29 -17.081 10.946 -22.054 1.00 21.43 H new ATOM 448 N LYS A 30 -18.511 3.881 -17.869 1.00 63.31 N ATOM 449 CA LYS A 30 -18.194 2.711 -17.060 1.00 34.45 C ATOM 450 C LYS A 30 -16.686 2.566 -16.880 1.00 12.11 C ATOM 451 O LYS A 30 -15.902 3.237 -17.555 1.00 64.12 O ATOM 452 CB LYS A 30 -18.764 1.447 -17.707 1.00 32.15 C ATOM 453 CG LYS A 30 -19.333 0.455 -16.707 1.00 43.23 C ATOM 454 CD LYS A 30 -20.288 -0.521 -17.373 1.00 64.00 C ATOM 455 CE LYS A 30 -21.734 -0.071 -17.230 1.00 71.41 C ATOM 456 NZ LYS A 30 -22.514 -0.982 -16.347 1.00 33.34 N1+ ATOM 0 H LYS A 30 -17.789 4.135 -18.544 1.00 63.31 H new ATOM 0 HA LYS A 30 -18.649 2.846 -16.079 1.00 34.45 H new ATOM 0 HB2 LYS A 30 -19.547 1.730 -18.410 1.00 32.15 H new ATOM 0 HB3 LYS A 30 -17.979 0.959 -18.284 1.00 32.15 H new ATOM 0 HG2 LYS A 30 -18.519 -0.095 -16.235 1.00 43.23 H new ATOM 0 HG3 LYS A 30 -19.854 0.993 -15.915 1.00 43.23 H new ATOM 0 HD2 LYS A 30 -20.037 -0.613 -18.430 1.00 64.00 H new ATOM 0 HD3 LYS A 30 -20.168 -1.509 -16.929 1.00 64.00 H new ATOM 0 HE2 LYS A 30 -21.761 0.940 -16.823 1.00 71.41 H new ATOM 0 HE3 LYS A 30 -22.201 -0.031 -18.214 1.00 71.41 H new ATOM 0 HZ1 LYS A 30 -23.494 -0.641 -16.275 1.00 33.34 H new ATOM 0 HZ2 LYS A 30 -22.510 -1.942 -16.748 1.00 33.34 H new ATOM 0 HZ3 LYS A 30 -22.084 -1.000 -15.400 1.00 33.34 H new ATOM 470 N LEU A 31 -16.284 1.687 -15.968 1.00 10.20 N ATOM 471 CA LEU A 31 -14.869 1.454 -15.702 1.00 74.23 C ATOM 472 C LEU A 31 -14.124 1.098 -16.985 1.00 22.20 C ATOM 473 O LEU A 31 -12.925 1.345 -17.108 1.00 32.15 O ATOM 474 CB LEU A 31 -14.701 0.334 -14.674 1.00 61.40 C ATOM 475 CG LEU A 31 -14.661 0.768 -13.208 1.00 13.01 C ATOM 476 CD1 LEU A 31 -15.063 -0.383 -12.299 1.00 3.44 C ATOM 477 CD2 LEU A 31 -13.276 1.281 -12.842 1.00 33.34 C ATOM 0 H LEU A 31 -16.918 1.124 -15.401 1.00 10.20 H new ATOM 0 HA LEU A 31 -14.444 2.374 -15.301 1.00 74.23 H new ATOM 0 HB2 LEU A 31 -15.520 -0.374 -14.800 1.00 61.40 H new ATOM 0 HB3 LEU A 31 -13.779 -0.203 -14.898 1.00 61.40 H new ATOM 0 HG LEU A 31 -15.376 1.579 -13.069 1.00 13.01 H new ATOM 0 HD11 LEU A 31 -15.029 -0.055 -11.260 1.00 3.44 H new ATOM 0 HD12 LEU A 31 -16.075 -0.704 -12.545 1.00 3.44 H new ATOM 0 HD13 LEU A 31 -14.374 -1.216 -12.440 1.00 3.44 H new ATOM 0 HD21 LEU A 31 -13.266 1.586 -11.795 1.00 33.34 H new ATOM 0 HD22 LEU A 31 -12.542 0.490 -12.997 1.00 33.34 H new ATOM 0 HD23 LEU A 31 -13.027 2.136 -13.471 1.00 33.34 H new ATOM 489 N LYS A 32 -14.844 0.520 -17.939 1.00 22.14 N ATOM 490 CA LYS A 32 -14.255 0.132 -19.215 1.00 13.34 C ATOM 491 C LYS A 32 -13.507 1.302 -19.846 1.00 12.43 C ATOM 492 O LYS A 32 -12.529 1.110 -20.569 1.00 32.23 O ATOM 493 CB LYS A 32 -15.340 -0.369 -20.171 1.00 31.33 C ATOM 494 CG LYS A 32 -15.666 -1.843 -20.002 1.00 53.24 C ATOM 495 CD LYS A 32 -17.095 -2.148 -20.417 1.00 4.13 C ATOM 496 CE LYS A 32 -17.214 -3.539 -21.024 1.00 55.22 C ATOM 497 NZ LYS A 32 -16.864 -3.544 -22.471 1.00 74.12 N1+ ATOM 0 H LYS A 32 -15.838 0.309 -17.853 1.00 22.14 H new ATOM 0 HA LYS A 32 -13.545 -0.673 -19.029 1.00 13.34 H new ATOM 0 HB2 LYS A 32 -16.247 0.215 -20.016 1.00 31.33 H new ATOM 0 HB3 LYS A 32 -15.018 -0.192 -21.197 1.00 31.33 H new ATOM 0 HG2 LYS A 32 -14.977 -2.440 -20.600 1.00 53.24 H new ATOM 0 HG3 LYS A 32 -15.518 -2.132 -18.962 1.00 53.24 H new ATOM 0 HD2 LYS A 32 -17.751 -2.071 -19.550 1.00 4.13 H new ATOM 0 HD3 LYS A 32 -17.432 -1.404 -21.139 1.00 4.13 H new ATOM 0 HE2 LYS A 32 -16.558 -4.226 -20.489 1.00 55.22 H new ATOM 0 HE3 LYS A 32 -18.232 -3.906 -20.895 1.00 55.22 H new ATOM 0 HZ1 LYS A 32 -16.957 -4.509 -22.847 1.00 74.12 H new ATOM 0 HZ2 LYS A 32 -17.506 -2.908 -22.986 1.00 74.12 H new ATOM 0 HZ3 LYS A 32 -15.884 -3.219 -22.592 1.00 74.12 H new ATOM 511 N HIS A 33 -13.972 2.516 -19.567 1.00 25.13 N ATOM 512 CA HIS A 33 -13.347 3.718 -20.106 1.00 71.23 C ATOM 513 C HIS A 33 -12.200 4.180 -19.211 1.00 13.22 C ATOM 514 O HIS A 33 -11.231 4.707 -19.761 1.00 62.52 O ATOM 515 CB HIS A 33 -14.379 4.837 -20.248 1.00 72.33 C ATOM 516 CG HIS A 33 -15.654 4.396 -20.899 1.00 21.12 C ATOM 517 ND1 HIS A 33 -16.875 4.430 -20.261 1.00 24.23 N ATOM 518 CD2 HIS A 33 -15.892 3.911 -22.140 1.00 23.43 C ATOM 519 CE1 HIS A 33 -17.810 3.982 -21.081 1.00 70.14 C ATOM 520 NE2 HIS A 33 -17.240 3.662 -22.228 1.00 74.11 N ATOM 0 H HIS A 33 -14.780 2.693 -18.970 1.00 25.13 H new ATOM 0 HA HIS A 33 -12.945 3.478 -21.090 1.00 71.23 H new ATOM 0 HB2 HIS A 33 -14.605 5.239 -19.260 1.00 72.33 H new ATOM 0 HB3 HIS A 33 -13.945 5.649 -20.831 1.00 72.33 H new ATOM 0 HD2 HIS A 33 -15.159 3.750 -22.916 1.00 23.43 H new ATOM 0 HE1 HIS A 33 -18.862 3.893 -20.852 1.00 70.14 H new ATOM 0 HE2 HIS A 33 -17.722 3.290 -23.046 1.00 74.11 H new ATOM 528 N ILE A 34 -12.278 4.003 -17.897 1.00 2.24 N ATOM 529 CA ILE A 34 -11.207 4.426 -17.004 1.00 40.15 C ATOM 530 C ILE A 34 -9.999 3.502 -17.117 1.00 22.22 C ATOM 531 O ILE A 34 -8.856 3.958 -17.152 1.00 51.25 O ATOM 532 CB ILE A 34 -11.677 4.461 -15.537 1.00 1.55 C ATOM 533 CG1 ILE A 34 -12.972 5.266 -15.413 1.00 4.31 C ATOM 534 CG2 ILE A 34 -10.593 5.050 -14.648 1.00 30.22 C ATOM 535 CD1 ILE A 34 -13.572 5.235 -14.025 1.00 34.51 C ATOM 0 H ILE A 34 -13.072 3.569 -17.427 1.00 2.24 H new ATOM 0 HA ILE A 34 -10.921 5.433 -17.310 1.00 40.15 H new ATOM 0 HB ILE A 34 -11.873 3.440 -15.209 1.00 1.55 H new ATOM 0 HG12 ILE A 34 -12.775 6.301 -15.692 1.00 4.31 H new ATOM 0 HG13 ILE A 34 -13.701 4.878 -16.124 1.00 4.31 H new ATOM 0 HG21 ILE A 34 -10.940 5.068 -13.615 1.00 30.22 H new ATOM 0 HG22 ILE A 34 -9.693 4.439 -14.718 1.00 30.22 H new ATOM 0 HG23 ILE A 34 -10.368 6.066 -14.973 1.00 30.22 H new ATOM 0 HD11 ILE A 34 -14.487 5.826 -14.011 1.00 34.51 H new ATOM 0 HD12 ILE A 34 -13.801 4.205 -13.751 1.00 34.51 H new ATOM 0 HD13 ILE A 34 -12.860 5.651 -13.312 1.00 34.51 H new ATOM 547 N VAL A 35 -10.260 2.200 -17.176 1.00 4.22 N ATOM 548 CA VAL A 35 -9.195 1.211 -17.289 1.00 44.02 C ATOM 549 C VAL A 35 -8.478 1.326 -18.629 1.00 43.44 C ATOM 550 O VAL A 35 -7.252 1.434 -18.682 1.00 63.24 O ATOM 551 CB VAL A 35 -9.740 -0.221 -17.133 1.00 60.13 C ATOM 552 CG1 VAL A 35 -8.619 -1.238 -17.281 1.00 2.35 C ATOM 553 CG2 VAL A 35 -10.441 -0.380 -15.792 1.00 32.12 C ATOM 0 H VAL A 35 -11.200 1.806 -17.147 1.00 4.22 H new ATOM 0 HA VAL A 35 -8.489 1.413 -16.484 1.00 44.02 H new ATOM 0 HB VAL A 35 -10.469 -0.402 -17.923 1.00 60.13 H new ATOM 0 HG11 VAL A 35 -9.023 -2.244 -17.168 1.00 2.35 H new ATOM 0 HG12 VAL A 35 -8.165 -1.138 -18.267 1.00 2.35 H new ATOM 0 HG13 VAL A 35 -7.864 -1.062 -16.515 1.00 2.35 H new ATOM 0 HG21 VAL A 35 -10.820 -1.398 -15.698 1.00 32.12 H new ATOM 0 HG22 VAL A 35 -9.735 -0.180 -14.986 1.00 32.12 H new ATOM 0 HG23 VAL A 35 -11.271 0.324 -15.730 1.00 32.12 H new ATOM 563 N TRP A 36 -9.249 1.304 -19.710 1.00 54.31 N ATOM 564 CA TRP A 36 -8.687 1.406 -21.052 1.00 54.32 C ATOM 565 C TRP A 36 -7.770 2.619 -21.167 1.00 24.10 C ATOM 566 O TRP A 36 -6.695 2.542 -21.759 1.00 14.34 O ATOM 567 CB TRP A 36 -9.806 1.497 -22.091 1.00 44.23 C ATOM 568 CG TRP A 36 -9.306 1.729 -23.485 1.00 31.22 C ATOM 569 CD1 TRP A 36 -8.814 0.790 -24.345 1.00 1.31 C ATOM 570 CD2 TRP A 36 -9.248 2.981 -24.177 1.00 0.22 C ATOM 571 NE1 TRP A 36 -8.453 1.383 -25.531 1.00 2.11 N ATOM 572 CE2 TRP A 36 -8.711 2.726 -25.454 1.00 53.21 C ATOM 573 CE3 TRP A 36 -9.600 4.292 -23.844 1.00 34.23 C ATOM 574 CZ2 TRP A 36 -8.516 3.733 -26.394 1.00 53.54 C ATOM 575 CZ3 TRP A 36 -9.406 5.290 -24.779 1.00 74.14 C ATOM 576 CH2 TRP A 36 -8.869 5.008 -26.042 1.00 25.41 C ATOM 0 H TRP A 36 -10.265 1.216 -19.684 1.00 54.31 H new ATOM 0 HA TRP A 36 -8.098 0.509 -21.241 1.00 54.32 H new ATOM 0 HB2 TRP A 36 -10.387 0.575 -22.070 1.00 44.23 H new ATOM 0 HB3 TRP A 36 -10.482 2.306 -21.816 1.00 44.23 H new ATOM 0 HD1 TRP A 36 -8.722 -0.263 -24.126 1.00 1.31 H new ATOM 0 HE1 TRP A 36 -8.057 0.901 -26.338 1.00 2.11 H new ATOM 0 HE3 TRP A 36 -10.016 4.520 -22.874 1.00 34.23 H new ATOM 0 HZ2 TRP A 36 -8.101 3.516 -27.367 1.00 53.54 H new ATOM 0 HZ3 TRP A 36 -9.673 6.307 -24.532 1.00 74.14 H new ATOM 0 HH2 TRP A 36 -8.731 5.811 -26.751 1.00 25.41 H new ATOM 587 N ALA A 37 -8.204 3.739 -20.598 1.00 34.14 N ATOM 588 CA ALA A 37 -7.420 4.967 -20.635 1.00 75.12 C ATOM 589 C ALA A 37 -6.125 4.817 -19.844 1.00 13.24 C ATOM 590 O ALA A 37 -5.127 5.474 -20.139 1.00 15.02 O ATOM 591 CB ALA A 37 -8.238 6.132 -20.095 1.00 1.22 C ATOM 0 H ALA A 37 -9.094 3.821 -20.106 1.00 34.14 H new ATOM 0 HA ALA A 37 -7.159 5.170 -21.674 1.00 75.12 H new ATOM 0 HB1 ALA A 37 -7.640 7.043 -20.128 1.00 1.22 H new ATOM 0 HB2 ALA A 37 -9.132 6.262 -20.705 1.00 1.22 H new ATOM 0 HB3 ALA A 37 -8.528 5.926 -19.065 1.00 1.22 H new ATOM 597 N SER A 38 -6.148 3.948 -18.838 1.00 63.11 N ATOM 598 CA SER A 38 -4.977 3.715 -18.002 1.00 20.22 C ATOM 599 C SER A 38 -3.889 2.984 -18.784 1.00 73.35 C ATOM 600 O SER A 38 -2.708 3.320 -18.686 1.00 34.31 O ATOM 601 CB SER A 38 -5.362 2.905 -16.762 1.00 3.12 C ATOM 602 OG SER A 38 -6.413 3.532 -16.050 1.00 63.44 O ATOM 0 H SER A 38 -6.965 3.394 -18.583 1.00 63.11 H new ATOM 0 HA SER A 38 -4.587 4.683 -17.688 1.00 20.22 H new ATOM 0 HB2 SER A 38 -5.668 1.902 -17.059 1.00 3.12 H new ATOM 0 HB3 SER A 38 -4.494 2.794 -16.112 1.00 3.12 H new ATOM 0 HG SER A 38 -7.220 3.549 -16.606 1.00 63.44 H new ATOM 608 N ARG A 39 -4.296 1.984 -19.558 1.00 53.41 N ATOM 609 CA ARG A 39 -3.355 1.205 -20.355 1.00 44.45 C ATOM 610 C ARG A 39 -2.763 2.053 -21.478 1.00 32.34 C ATOM 611 O ARG A 39 -1.582 1.931 -21.801 1.00 33.32 O ATOM 612 CB ARG A 39 -4.051 -0.025 -20.943 1.00 75.32 C ATOM 613 CG ARG A 39 -3.414 -1.340 -20.527 1.00 72.20 C ATOM 614 CD ARG A 39 -4.462 -2.419 -20.302 1.00 31.51 C ATOM 615 NE ARG A 39 -5.113 -2.818 -21.547 1.00 15.24 N ATOM 616 CZ ARG A 39 -5.900 -3.882 -21.657 1.00 23.42 C ATOM 617 NH1 ARG A 39 -6.134 -4.649 -20.601 1.00 14.04 N1+ ATOM 618 NH2 ARG A 39 -6.457 -4.180 -22.824 1.00 74.20 N ATOM 0 H ARG A 39 -5.269 1.694 -19.651 1.00 53.41 H new ATOM 0 HA ARG A 39 -2.545 0.880 -19.703 1.00 44.45 H new ATOM 0 HB2 ARG A 39 -5.096 -0.023 -20.634 1.00 75.32 H new ATOM 0 HB3 ARG A 39 -4.040 0.047 -22.031 1.00 75.32 H new ATOM 0 HG2 ARG A 39 -2.714 -1.666 -21.296 1.00 72.20 H new ATOM 0 HG3 ARG A 39 -2.838 -1.194 -19.613 1.00 72.20 H new ATOM 0 HD2 ARG A 39 -3.993 -3.289 -19.843 1.00 31.51 H new ATOM 0 HD3 ARG A 39 -5.213 -2.054 -19.601 1.00 31.51 H new ATOM 0 HE ARG A 39 -4.954 -2.248 -22.378 1.00 15.24 H new ATOM 0 HH11 ARG A 39 -5.709 -4.422 -19.702 1.00 14.04 H new ATOM 0 HH12 ARG A 39 -6.739 -5.466 -20.688 1.00 14.04 H new ATOM 0 HH21 ARG A 39 -6.281 -3.591 -23.638 1.00 74.20 H new ATOM 0 HH22 ARG A 39 -7.061 -4.998 -22.907 1.00 74.20 H new ATOM 632 N GLU A 40 -3.590 2.909 -22.067 1.00 1.14 N ATOM 633 CA GLU A 40 -3.147 3.774 -23.153 1.00 43.10 C ATOM 634 C GLU A 40 -2.296 4.923 -22.621 1.00 1.41 C ATOM 635 O GLU A 40 -1.454 5.470 -23.335 1.00 71.12 O ATOM 636 CB GLU A 40 -4.351 4.329 -23.918 1.00 60.12 C ATOM 637 CG GLU A 40 -4.175 4.311 -25.427 1.00 72.34 C ATOM 638 CD GLU A 40 -4.679 3.027 -26.058 1.00 53.13 C ATOM 639 OE1 GLU A 40 -4.244 1.941 -25.620 1.00 54.41 O ATOM 640 OE2 GLU A 40 -5.506 3.108 -26.989 1.00 51.24 O1- ATOM 0 H GLU A 40 -4.571 3.022 -21.811 1.00 1.14 H new ATOM 0 HA GLU A 40 -2.538 3.177 -23.832 1.00 43.10 H new ATOM 0 HB2 GLU A 40 -5.236 3.748 -23.657 1.00 60.12 H new ATOM 0 HB3 GLU A 40 -4.535 5.353 -23.594 1.00 60.12 H new ATOM 0 HG2 GLU A 40 -4.707 5.158 -25.861 1.00 72.34 H new ATOM 0 HG3 GLU A 40 -3.120 4.440 -25.668 1.00 72.34 H new ATOM 647 N LEU A 41 -2.521 5.285 -21.363 1.00 30.11 N ATOM 648 CA LEU A 41 -1.776 6.370 -20.734 1.00 21.44 C ATOM 649 C LEU A 41 -0.317 5.976 -20.521 1.00 41.13 C ATOM 650 O LEU A 41 0.594 6.682 -20.955 1.00 34.43 O ATOM 651 CB LEU A 41 -2.415 6.744 -19.395 1.00 51.10 C ATOM 652 CG LEU A 41 -3.385 7.926 -19.421 1.00 2.32 C ATOM 653 CD1 LEU A 41 -3.982 8.158 -18.043 1.00 30.42 C ATOM 654 CD2 LEU A 41 -2.683 9.181 -19.918 1.00 53.30 C ATOM 0 H LEU A 41 -3.213 4.843 -20.758 1.00 30.11 H new ATOM 0 HA LEU A 41 -1.807 7.233 -21.399 1.00 21.44 H new ATOM 0 HB2 LEU A 41 -2.946 5.872 -19.013 1.00 51.10 H new ATOM 0 HB3 LEU A 41 -1.619 6.969 -18.685 1.00 51.10 H new ATOM 0 HG LEU A 41 -4.196 7.690 -20.110 1.00 2.32 H new ATOM 0 HD11 LEU A 41 -4.669 9.003 -18.082 1.00 30.42 H new ATOM 0 HD12 LEU A 41 -4.521 7.266 -17.725 1.00 30.42 H new ATOM 0 HD13 LEU A 41 -3.184 8.372 -17.332 1.00 30.42 H new ATOM 0 HD21 LEU A 41 -3.388 10.012 -19.930 1.00 53.30 H new ATOM 0 HD22 LEU A 41 -1.852 9.420 -19.254 1.00 53.30 H new ATOM 0 HD23 LEU A 41 -2.305 9.011 -20.926 1.00 53.30 H new ATOM 666 N GLU A 42 -0.105 4.846 -19.855 1.00 63.13 N ATOM 667 CA GLU A 42 1.243 4.360 -19.587 1.00 61.31 C ATOM 668 C GLU A 42 2.042 4.232 -20.881 1.00 74.34 C ATOM 669 O GLU A 42 3.271 4.321 -20.875 1.00 63.23 O ATOM 670 CB GLU A 42 1.189 3.008 -18.873 1.00 21.15 C ATOM 671 CG GLU A 42 1.787 3.031 -17.476 1.00 50.54 C ATOM 672 CD GLU A 42 3.066 2.224 -17.375 1.00 41.30 C ATOM 673 OE1 GLU A 42 3.013 0.998 -17.606 1.00 3.54 O ATOM 674 OE2 GLU A 42 4.120 2.818 -17.066 1.00 20.30 O1- ATOM 0 H GLU A 42 -0.849 4.250 -19.491 1.00 63.13 H new ATOM 0 HA GLU A 42 1.741 5.084 -18.942 1.00 61.31 H new ATOM 0 HB2 GLU A 42 0.151 2.682 -18.809 1.00 21.15 H new ATOM 0 HB3 GLU A 42 1.719 2.268 -19.473 1.00 21.15 H new ATOM 0 HG2 GLU A 42 1.989 4.063 -17.189 1.00 50.54 H new ATOM 0 HG3 GLU A 42 1.058 2.640 -16.766 1.00 50.54 H new ATOM 681 N ARG A 43 1.337 4.024 -21.987 1.00 22.30 N ATOM 682 CA ARG A 43 1.979 3.882 -23.288 1.00 30.23 C ATOM 683 C ARG A 43 2.588 5.207 -23.740 1.00 33.25 C ATOM 684 O ARG A 43 3.570 5.228 -24.482 1.00 54.34 O ATOM 685 CB ARG A 43 0.971 3.391 -24.328 1.00 44.02 C ATOM 686 CG ARG A 43 1.346 2.060 -24.959 1.00 2.12 C ATOM 687 CD ARG A 43 1.999 2.253 -26.319 1.00 4.41 C ATOM 688 NE ARG A 43 3.372 2.737 -26.205 1.00 65.12 N ATOM 689 CZ ARG A 43 4.378 1.995 -25.756 1.00 24.22 C ATOM 690 NH1 ARG A 43 4.165 0.741 -25.382 1.00 2.25 N1+ ATOM 691 NH2 ARG A 43 5.600 2.507 -25.680 1.00 24.01 N ATOM 0 H ARG A 43 0.320 3.950 -22.009 1.00 22.30 H new ATOM 0 HA ARG A 43 2.778 3.147 -23.193 1.00 30.23 H new ATOM 0 HB2 ARG A 43 -0.008 3.297 -23.857 1.00 44.02 H new ATOM 0 HB3 ARG A 43 0.877 4.142 -25.113 1.00 44.02 H new ATOM 0 HG2 ARG A 43 2.028 1.523 -24.300 1.00 2.12 H new ATOM 0 HG3 ARG A 43 0.454 1.443 -25.067 1.00 2.12 H new ATOM 0 HD2 ARG A 43 1.992 1.308 -26.861 1.00 4.41 H new ATOM 0 HD3 ARG A 43 1.413 2.961 -26.905 1.00 4.41 H new ATOM 0 HE ARG A 43 3.569 3.698 -26.486 1.00 65.12 H new ATOM 0 HH11 ARG A 43 3.227 0.344 -25.439 1.00 2.25 H new ATOM 0 HH12 ARG A 43 4.939 0.173 -25.038 1.00 2.25 H new ATOM 0 HH21 ARG A 43 5.768 3.471 -25.967 1.00 24.01 H new ATOM 0 HH22 ARG A 43 6.372 1.936 -25.335 1.00 24.01 H new ATOM 705 N PHE A 44 1.999 6.308 -23.288 1.00 70.03 N ATOM 706 CA PHE A 44 2.483 7.636 -23.647 1.00 63.42 C ATOM 707 C PHE A 44 3.410 8.187 -22.567 1.00 13.43 C ATOM 708 O PHE A 44 3.519 9.399 -22.387 1.00 71.12 O ATOM 709 CB PHE A 44 1.306 8.591 -23.859 1.00 25.31 C ATOM 710 CG PHE A 44 0.445 8.229 -25.035 1.00 12.50 C ATOM 711 CD1 PHE A 44 0.969 8.229 -26.319 1.00 72.03 C ATOM 712 CD2 PHE A 44 -0.886 7.888 -24.859 1.00 33.41 C ATOM 713 CE1 PHE A 44 0.179 7.898 -27.403 1.00 4.40 C ATOM 714 CE2 PHE A 44 -1.680 7.555 -25.940 1.00 50.13 C ATOM 715 CZ PHE A 44 -1.147 7.560 -27.214 1.00 12.42 C ATOM 0 H PHE A 44 1.186 6.308 -22.672 1.00 70.03 H new ATOM 0 HA PHE A 44 3.046 7.551 -24.577 1.00 63.42 H new ATOM 0 HB2 PHE A 44 0.691 8.603 -22.959 1.00 25.31 H new ATOM 0 HB3 PHE A 44 1.689 9.602 -23.997 1.00 25.31 H new ATOM 0 HD1 PHE A 44 2.005 8.490 -26.473 1.00 72.03 H new ATOM 0 HD2 PHE A 44 -1.308 7.882 -23.865 1.00 33.41 H new ATOM 0 HE1 PHE A 44 0.598 7.904 -28.398 1.00 4.40 H new ATOM 0 HE2 PHE A 44 -2.716 7.291 -25.789 1.00 50.13 H new ATOM 0 HZ PHE A 44 -1.765 7.300 -28.061 1.00 12.42 H new ATOM 725 N ALA A 45 4.077 7.287 -21.852 1.00 12.24 N ATOM 726 CA ALA A 45 4.997 7.681 -20.793 1.00 73.21 C ATOM 727 C ALA A 45 4.260 8.391 -19.662 1.00 42.54 C ATOM 728 O ALA A 45 4.861 9.130 -18.883 1.00 14.12 O ATOM 729 CB ALA A 45 6.095 8.573 -21.352 1.00 55.23 C ATOM 0 H ALA A 45 3.997 6.279 -21.987 1.00 12.24 H new ATOM 0 HA ALA A 45 5.451 6.778 -20.385 1.00 73.21 H new ATOM 0 HB1 ALA A 45 6.775 8.860 -20.550 1.00 55.23 H new ATOM 0 HB2 ALA A 45 6.648 8.032 -22.120 1.00 55.23 H new ATOM 0 HB3 ALA A 45 5.650 9.468 -21.788 1.00 55.23 H new ATOM 735 N VAL A 46 2.952 8.164 -19.581 1.00 74.43 N ATOM 736 CA VAL A 46 2.133 8.782 -18.545 1.00 63.25 C ATOM 737 C VAL A 46 1.501 7.729 -17.642 1.00 43.21 C ATOM 738 O VAL A 46 0.673 6.934 -18.085 1.00 31.13 O ATOM 739 CB VAL A 46 1.020 9.654 -19.155 1.00 3.52 C ATOM 740 CG1 VAL A 46 0.152 10.257 -18.062 1.00 31.40 C ATOM 741 CG2 VAL A 46 1.617 10.742 -20.035 1.00 15.22 C ATOM 0 H VAL A 46 2.438 7.557 -20.220 1.00 74.43 H new ATOM 0 HA VAL A 46 2.796 9.413 -17.953 1.00 63.25 H new ATOM 0 HB VAL A 46 0.388 9.021 -19.778 1.00 3.52 H new ATOM 0 HG11 VAL A 46 -0.628 10.870 -18.514 1.00 31.40 H new ATOM 0 HG12 VAL A 46 -0.306 9.458 -17.479 1.00 31.40 H new ATOM 0 HG13 VAL A 46 0.767 10.876 -17.409 1.00 31.40 H new ATOM 0 HG21 VAL A 46 0.816 11.348 -20.458 1.00 15.22 H new ATOM 0 HG22 VAL A 46 2.274 11.374 -19.437 1.00 15.22 H new ATOM 0 HG23 VAL A 46 2.190 10.284 -20.842 1.00 15.22 H new ATOM 751 N ASN A 47 1.897 7.729 -16.374 1.00 71.45 N ATOM 752 CA ASN A 47 1.370 6.773 -15.407 1.00 62.24 C ATOM 753 C ASN A 47 -0.132 6.965 -15.217 1.00 11.43 C ATOM 754 O ASN A 47 -0.651 8.081 -15.260 1.00 5.13 O ATOM 755 CB ASN A 47 2.088 6.923 -14.065 1.00 71.14 C ATOM 756 CG ASN A 47 3.522 6.435 -14.120 1.00 75.40 C ATOM 757 OD1 ASN A 47 4.345 6.973 -14.860 1.00 14.34 O ATOM 758 ND2 ASN A 47 3.829 5.410 -13.332 1.00 62.12 N ATOM 0 H ASN A 47 2.582 8.381 -15.991 1.00 71.45 H new ATOM 0 HA ASN A 47 1.545 5.769 -15.794 1.00 62.24 H new ATOM 0 HB2 ASN A 47 2.075 7.970 -13.764 1.00 71.14 H new ATOM 0 HB3 ASN A 47 1.546 6.365 -13.302 1.00 71.14 H new ATOM 0 HD21 ASN A 47 4.779 5.039 -13.325 1.00 62.12 H new ATOM 0 HD22 ASN A 47 3.115 4.994 -12.734 1.00 62.12 H new ATOM 765 N PRO A 48 -0.848 5.851 -15.001 1.00 42.34 N ATOM 766 CA PRO A 48 -2.300 5.871 -14.799 1.00 10.44 C ATOM 767 C PRO A 48 -2.691 6.498 -13.466 1.00 60.42 C ATOM 768 O PRO A 48 -3.858 6.812 -13.236 1.00 55.14 O ATOM 769 CB PRO A 48 -2.681 4.388 -14.825 1.00 31.11 C ATOM 770 CG PRO A 48 -1.443 3.671 -14.410 1.00 40.42 C ATOM 771 CD PRO A 48 -0.295 4.488 -14.937 1.00 40.21 C ATOM 0 HA PRO A 48 -2.809 6.470 -15.554 1.00 10.44 H new ATOM 0 HB2 PRO A 48 -3.506 4.179 -14.144 1.00 31.11 H new ATOM 0 HB3 PRO A 48 -3.003 4.079 -15.820 1.00 31.11 H new ATOM 0 HG2 PRO A 48 -1.391 3.579 -13.325 1.00 40.42 H new ATOM 0 HG3 PRO A 48 -1.422 2.660 -14.817 1.00 40.42 H new ATOM 0 HD2 PRO A 48 0.571 4.436 -14.277 1.00 40.21 H new ATOM 0 HD3 PRO A 48 0.030 4.140 -15.917 1.00 40.21 H new ATOM 779 N GLY A 49 -1.708 6.678 -12.589 1.00 12.34 N ATOM 780 CA GLY A 49 -1.969 7.267 -11.290 1.00 24.40 C ATOM 781 C GLY A 49 -2.427 8.709 -11.389 1.00 21.10 C ATOM 782 O GLY A 49 -2.969 9.264 -10.432 1.00 22.51 O ATOM 0 H GLY A 49 -0.734 6.426 -12.756 1.00 12.34 H new ATOM 0 HA2 GLY A 49 -2.731 6.681 -10.775 1.00 24.40 H new ATOM 0 HA3 GLY A 49 -1.065 7.217 -10.683 1.00 24.40 H new ATOM 786 N LEU A 50 -2.207 9.319 -12.548 1.00 52.21 N ATOM 787 CA LEU A 50 -2.599 10.707 -12.768 1.00 10.41 C ATOM 788 C LEU A 50 -4.108 10.824 -12.956 1.00 33.22 C ATOM 789 O LEU A 50 -4.695 11.877 -12.707 1.00 64.14 O ATOM 790 CB LEU A 50 -1.876 11.274 -13.992 1.00 11.45 C ATOM 791 CG LEU A 50 -0.354 11.126 -14.002 1.00 23.53 C ATOM 792 CD1 LEU A 50 0.238 11.771 -15.245 1.00 62.31 C ATOM 793 CD2 LEU A 50 0.248 11.735 -12.744 1.00 2.13 C ATOM 0 H LEU A 50 -1.759 8.875 -13.350 1.00 52.21 H new ATOM 0 HA LEU A 50 -2.316 11.282 -11.887 1.00 10.41 H new ATOM 0 HB2 LEU A 50 -2.274 10.787 -14.882 1.00 11.45 H new ATOM 0 HB3 LEU A 50 -2.118 12.334 -14.073 1.00 11.45 H new ATOM 0 HG LEU A 50 -0.111 10.063 -14.020 1.00 23.53 H new ATOM 0 HD11 LEU A 50 1.322 11.655 -15.234 1.00 62.31 H new ATOM 0 HD12 LEU A 50 -0.169 11.289 -16.134 1.00 62.31 H new ATOM 0 HD13 LEU A 50 -0.014 12.831 -15.260 1.00 62.31 H new ATOM 0 HD21 LEU A 50 1.332 11.621 -12.767 1.00 2.13 H new ATOM 0 HD22 LEU A 50 -0.005 12.794 -12.696 1.00 2.13 H new ATOM 0 HD23 LEU A 50 -0.151 11.227 -11.867 1.00 2.13 H new ATOM 805 N LEU A 51 -4.730 9.734 -13.394 1.00 72.03 N ATOM 806 CA LEU A 51 -6.172 9.713 -13.612 1.00 44.54 C ATOM 807 C LEU A 51 -6.924 9.964 -12.309 1.00 43.15 C ATOM 808 O LEU A 51 -8.062 10.433 -12.319 1.00 42.24 O ATOM 809 CB LEU A 51 -6.597 8.370 -14.209 1.00 42.54 C ATOM 810 CG LEU A 51 -6.045 8.049 -15.598 1.00 21.13 C ATOM 811 CD1 LEU A 51 -5.830 6.551 -15.753 1.00 3.31 C ATOM 812 CD2 LEU A 51 -6.981 8.570 -16.679 1.00 0.11 C ATOM 0 H LEU A 51 -4.258 8.854 -13.605 1.00 72.03 H new ATOM 0 HA LEU A 51 -6.421 10.511 -14.312 1.00 44.54 H new ATOM 0 HB2 LEU A 51 -6.290 7.578 -13.526 1.00 42.54 H new ATOM 0 HB3 LEU A 51 -7.686 8.345 -14.258 1.00 42.54 H new ATOM 0 HG LEU A 51 -5.082 8.548 -15.709 1.00 21.13 H new ATOM 0 HD11 LEU A 51 -5.437 6.341 -16.748 1.00 3.31 H new ATOM 0 HD12 LEU A 51 -5.120 6.206 -15.002 1.00 3.31 H new ATOM 0 HD13 LEU A 51 -6.779 6.032 -15.621 1.00 3.31 H new ATOM 0 HD21 LEU A 51 -6.571 8.332 -17.661 1.00 0.11 H new ATOM 0 HD22 LEU A 51 -7.959 8.101 -16.571 1.00 0.11 H new ATOM 0 HD23 LEU A 51 -7.084 9.651 -16.581 1.00 0.11 H new ATOM 824 N GLU A 52 -6.280 9.650 -11.190 1.00 55.35 N ATOM 825 CA GLU A 52 -6.888 9.843 -9.879 1.00 43.13 C ATOM 826 C GLU A 52 -6.376 11.123 -9.225 1.00 54.03 C ATOM 827 O GLU A 52 -6.376 11.252 -8.000 1.00 42.42 O ATOM 828 CB GLU A 52 -6.596 8.644 -8.975 1.00 42.31 C ATOM 829 CG GLU A 52 -5.121 8.461 -8.663 1.00 52.21 C ATOM 830 CD GLU A 52 -4.876 8.022 -7.233 1.00 30.33 C ATOM 831 OE1 GLU A 52 -5.463 8.634 -6.316 1.00 73.11 O1- ATOM 832 OE2 GLU A 52 -4.099 7.066 -7.030 1.00 11.35 O ATOM 0 H GLU A 52 -5.337 9.261 -11.165 1.00 55.35 H new ATOM 0 HA GLU A 52 -7.966 9.931 -10.016 1.00 43.13 H new ATOM 0 HB2 GLU A 52 -7.144 8.763 -8.040 1.00 42.31 H new ATOM 0 HB3 GLU A 52 -6.972 7.739 -9.453 1.00 42.31 H new ATOM 0 HG2 GLU A 52 -4.699 7.721 -9.343 1.00 52.21 H new ATOM 0 HG3 GLU A 52 -4.596 9.399 -8.846 1.00 52.21 H new ATOM 839 N THR A 53 -5.938 12.069 -10.050 1.00 1.41 N ATOM 840 CA THR A 53 -5.421 13.337 -9.554 1.00 41.44 C ATOM 841 C THR A 53 -5.998 14.512 -10.338 1.00 30.44 C ATOM 842 O THR A 53 -5.866 14.578 -11.560 1.00 71.14 O ATOM 843 CB THR A 53 -3.884 13.388 -9.634 1.00 15.42 C ATOM 844 OG1 THR A 53 -3.468 13.538 -10.996 1.00 23.12 O ATOM 845 CG2 THR A 53 -3.270 12.127 -9.047 1.00 12.32 C ATOM 0 H THR A 53 -5.931 11.980 -11.066 1.00 1.41 H new ATOM 0 HA THR A 53 -5.726 13.415 -8.510 1.00 41.44 H new ATOM 0 HB THR A 53 -3.541 14.245 -9.054 1.00 15.42 H new ATOM 0 HG1 THR A 53 -4.022 12.970 -11.572 1.00 23.12 H new ATOM 0 HG21 THR A 53 -2.184 12.186 -9.115 1.00 12.32 H new ATOM 0 HG22 THR A 53 -3.564 12.032 -8.002 1.00 12.32 H new ATOM 0 HG23 THR A 53 -3.622 11.258 -9.603 1.00 12.32 H new ATOM 853 N SER A 54 -6.638 15.434 -9.627 1.00 3.20 N ATOM 854 CA SER A 54 -7.238 16.605 -10.258 1.00 34.34 C ATOM 855 C SER A 54 -6.191 17.404 -11.028 1.00 22.54 C ATOM 856 O SER A 54 -6.520 18.151 -11.948 1.00 62.20 O ATOM 857 CB SER A 54 -7.901 17.493 -9.204 1.00 43.12 C ATOM 858 OG SER A 54 -6.986 18.448 -8.693 1.00 25.35 O ATOM 0 H SER A 54 -6.755 15.394 -8.615 1.00 3.20 H new ATOM 0 HA SER A 54 -7.996 16.261 -10.962 1.00 34.34 H new ATOM 0 HB2 SER A 54 -8.758 18.004 -9.642 1.00 43.12 H new ATOM 0 HB3 SER A 54 -8.280 16.875 -8.390 1.00 43.12 H new ATOM 0 HG SER A 54 -7.434 19.004 -8.022 1.00 25.35 H new ATOM 864 N GLU A 55 -4.929 17.239 -10.644 1.00 24.11 N ATOM 865 CA GLU A 55 -3.834 17.945 -11.298 1.00 30.12 C ATOM 866 C GLU A 55 -3.369 17.194 -12.542 1.00 53.40 C ATOM 867 O GLU A 55 -3.165 17.789 -13.600 1.00 65.14 O ATOM 868 CB GLU A 55 -2.663 18.124 -10.330 1.00 35.43 C ATOM 869 CG GLU A 55 -2.775 19.367 -9.463 1.00 53.11 C ATOM 870 CD GLU A 55 -2.526 19.079 -7.995 1.00 23.34 C ATOM 871 OE1 GLU A 55 -1.636 18.256 -7.694 1.00 23.11 O1- ATOM 872 OE2 GLU A 55 -3.221 19.677 -7.147 1.00 64.22 O ATOM 0 H GLU A 55 -4.640 16.623 -9.884 1.00 24.11 H new ATOM 0 HA GLU A 55 -4.198 18.926 -11.602 1.00 30.12 H new ATOM 0 HB2 GLU A 55 -2.597 17.247 -9.686 1.00 35.43 H new ATOM 0 HB3 GLU A 55 -1.735 18.171 -10.900 1.00 35.43 H new ATOM 0 HG2 GLU A 55 -2.060 20.113 -9.810 1.00 53.11 H new ATOM 0 HG3 GLU A 55 -3.769 19.799 -9.581 1.00 53.11 H new ATOM 879 N GLY A 56 -3.202 15.882 -12.407 1.00 12.41 N ATOM 880 CA GLY A 56 -2.761 15.072 -13.528 1.00 25.01 C ATOM 881 C GLY A 56 -3.733 15.112 -14.691 1.00 55.34 C ATOM 882 O GLY A 56 -3.336 15.353 -15.832 1.00 55.00 O ATOM 0 H GLY A 56 -3.364 15.366 -11.542 1.00 12.41 H new ATOM 0 HA2 GLY A 56 -1.784 15.422 -13.863 1.00 25.01 H new ATOM 0 HA3 GLY A 56 -2.635 14.040 -13.199 1.00 25.01 H new ATOM 886 N CYS A 57 -5.007 14.876 -14.403 1.00 44.50 N ATOM 887 CA CYS A 57 -6.038 14.885 -15.436 1.00 63.22 C ATOM 888 C CYS A 57 -5.981 16.173 -16.250 1.00 2.33 C ATOM 889 O CYS A 57 -6.209 16.164 -17.460 1.00 13.22 O ATOM 890 CB CYS A 57 -7.423 14.728 -14.804 1.00 15.32 C ATOM 891 SG CYS A 57 -8.241 13.165 -15.199 1.00 34.43 S ATOM 0 H CYS A 57 -5.352 14.676 -13.464 1.00 44.50 H new ATOM 0 HA CYS A 57 -5.854 14.045 -16.106 1.00 63.22 H new ATOM 0 HB2 CYS A 57 -7.328 14.813 -13.721 1.00 15.32 H new ATOM 0 HB3 CYS A 57 -8.057 15.551 -15.134 1.00 15.32 H new ATOM 0 HG CYS A 57 -9.403 13.125 -14.618 1.00 34.43 H new ATOM 897 N ARG A 58 -5.676 17.279 -15.579 1.00 31.02 N ATOM 898 CA ARG A 58 -5.591 18.575 -16.241 1.00 70.14 C ATOM 899 C ARG A 58 -4.404 18.621 -17.197 1.00 4.13 C ATOM 900 O ARG A 58 -4.506 19.152 -18.303 1.00 43.14 O ATOM 901 CB ARG A 58 -5.468 19.694 -15.203 1.00 2.42 C ATOM 902 CG ARG A 58 -6.369 20.885 -15.483 1.00 61.54 C ATOM 903 CD ARG A 58 -5.588 22.046 -16.079 1.00 65.10 C ATOM 904 NE ARG A 58 -6.183 23.336 -15.738 1.00 54.34 N ATOM 905 CZ ARG A 58 -6.032 23.926 -14.557 1.00 22.32 C ATOM 906 NH1 ARG A 58 -5.311 23.343 -13.609 1.00 51.40 N1+ ATOM 907 NH2 ARG A 58 -6.604 25.100 -14.323 1.00 73.23 N ATOM 0 H ARG A 58 -5.484 17.303 -14.578 1.00 31.02 H new ATOM 0 HA ARG A 58 -6.505 18.721 -16.817 1.00 70.14 H new ATOM 0 HB2 ARG A 58 -5.706 19.292 -14.218 1.00 2.42 H new ATOM 0 HB3 ARG A 58 -4.433 20.033 -15.167 1.00 2.42 H new ATOM 0 HG2 ARG A 58 -7.163 20.589 -16.169 1.00 61.54 H new ATOM 0 HG3 ARG A 58 -6.849 21.205 -14.558 1.00 61.54 H new ATOM 0 HD2 ARG A 58 -4.560 22.014 -15.719 1.00 65.10 H new ATOM 0 HD3 ARG A 58 -5.550 21.939 -17.163 1.00 65.10 H new ATOM 0 HE ARG A 58 -6.745 23.810 -16.445 1.00 54.34 H new ATOM 0 HH11 ARG A 58 -4.871 22.440 -13.786 1.00 51.40 H new ATOM 0 HH12 ARG A 58 -5.196 23.798 -12.703 1.00 51.40 H new ATOM 0 HH21 ARG A 58 -7.160 25.550 -15.050 1.00 73.23 H new ATOM 0 HH22 ARG A 58 -6.488 25.552 -13.416 1.00 73.23 H new ATOM 921 N GLN A 59 -3.280 18.060 -16.765 1.00 32.44 N ATOM 922 CA GLN A 59 -2.073 18.039 -17.583 1.00 33.34 C ATOM 923 C GLN A 59 -2.257 17.138 -18.801 1.00 53.02 C ATOM 924 O GLN A 59 -1.854 17.489 -19.909 1.00 1.43 O ATOM 925 CB GLN A 59 -0.879 17.559 -16.756 1.00 32.11 C ATOM 926 CG GLN A 59 -0.225 18.660 -15.936 1.00 31.20 C ATOM 927 CD GLN A 59 1.091 18.228 -15.323 1.00 15.14 C ATOM 928 OE1 GLN A 59 2.163 18.637 -15.772 1.00 70.44 O ATOM 929 NE2 GLN A 59 1.020 17.394 -14.291 1.00 12.22 N ATOM 0 H GLN A 59 -3.180 17.614 -15.853 1.00 32.44 H new ATOM 0 HA GLN A 59 -1.882 19.055 -17.929 1.00 33.34 H new ATOM 0 HB2 GLN A 59 -1.208 16.765 -16.086 1.00 32.11 H new ATOM 0 HB3 GLN A 59 -0.136 17.125 -17.425 1.00 32.11 H new ATOM 0 HG2 GLN A 59 -0.057 19.530 -16.571 1.00 31.20 H new ATOM 0 HG3 GLN A 59 -0.906 18.971 -15.143 1.00 31.20 H new ATOM 0 HE21 GLN A 59 0.111 17.080 -13.951 1.00 12.22 H new ATOM 0 HE22 GLN A 59 1.874 17.068 -13.839 1.00 12.22 H new ATOM 938 N ILE A 60 -2.868 15.979 -18.586 1.00 32.54 N ATOM 939 CA ILE A 60 -3.105 15.029 -19.666 1.00 72.40 C ATOM 940 C ILE A 60 -3.935 15.659 -20.779 1.00 70.43 C ATOM 941 O ILE A 60 -3.709 15.399 -21.961 1.00 31.33 O ATOM 942 CB ILE A 60 -3.825 13.765 -19.157 1.00 55.32 C ATOM 943 CG1 ILE A 60 -3.000 13.089 -18.061 1.00 32.22 C ATOM 944 CG2 ILE A 60 -4.079 12.802 -20.306 1.00 44.30 C ATOM 945 CD1 ILE A 60 -3.798 12.124 -17.211 1.00 54.53 C ATOM 0 H ILE A 60 -3.208 15.674 -17.674 1.00 32.54 H new ATOM 0 HA ILE A 60 -2.128 14.747 -20.059 1.00 72.40 H new ATOM 0 HB ILE A 60 -4.786 14.057 -18.734 1.00 55.32 H new ATOM 0 HG12 ILE A 60 -2.169 12.554 -18.521 1.00 32.22 H new ATOM 0 HG13 ILE A 60 -2.568 13.856 -17.418 1.00 32.22 H new ATOM 0 HG21 ILE A 60 -4.588 11.914 -19.931 1.00 44.30 H new ATOM 0 HG22 ILE A 60 -4.702 13.288 -21.057 1.00 44.30 H new ATOM 0 HG23 ILE A 60 -3.129 12.513 -20.755 1.00 44.30 H new ATOM 0 HD11 ILE A 60 -3.149 11.682 -16.455 1.00 54.53 H new ATOM 0 HD12 ILE A 60 -4.613 12.658 -16.722 1.00 54.53 H new ATOM 0 HD13 ILE A 60 -4.208 11.336 -17.843 1.00 54.53 H new ATOM 957 N LEU A 61 -4.897 16.491 -20.393 1.00 54.42 N ATOM 958 CA LEU A 61 -5.760 17.163 -21.359 1.00 3.42 C ATOM 959 C LEU A 61 -5.016 18.293 -22.062 1.00 62.43 C ATOM 960 O LEU A 61 -5.346 18.661 -23.188 1.00 43.23 O ATOM 961 CB LEU A 61 -7.006 17.712 -20.662 1.00 42.20 C ATOM 962 CG LEU A 61 -7.876 16.686 -19.936 1.00 40.10 C ATOM 963 CD1 LEU A 61 -8.614 17.337 -18.776 1.00 10.21 C ATOM 964 CD2 LEU A 61 -8.859 16.041 -20.901 1.00 23.44 C ATOM 0 H LEU A 61 -5.099 16.716 -19.419 1.00 54.42 H new ATOM 0 HA LEU A 61 -6.063 16.432 -22.109 1.00 3.42 H new ATOM 0 HB2 LEU A 61 -6.692 18.467 -19.941 1.00 42.20 H new ATOM 0 HB3 LEU A 61 -7.621 18.218 -21.406 1.00 42.20 H new ATOM 0 HG LEU A 61 -7.227 15.907 -19.536 1.00 40.10 H new ATOM 0 HD11 LEU A 61 -9.228 16.591 -18.271 1.00 10.21 H new ATOM 0 HD12 LEU A 61 -7.892 17.750 -18.071 1.00 10.21 H new ATOM 0 HD13 LEU A 61 -9.251 18.137 -19.153 1.00 10.21 H new ATOM 0 HD21 LEU A 61 -9.470 15.314 -20.366 1.00 23.44 H new ATOM 0 HD22 LEU A 61 -9.502 16.808 -21.332 1.00 23.44 H new ATOM 0 HD23 LEU A 61 -8.310 15.538 -21.698 1.00 23.44 H new ATOM 976 N GLY A 62 -4.008 18.840 -21.389 1.00 14.10 N ATOM 977 CA GLY A 62 -3.231 19.921 -21.965 1.00 41.34 C ATOM 978 C GLY A 62 -2.388 19.469 -23.141 1.00 4.14 C ATOM 979 O GLY A 62 -1.962 20.285 -23.957 1.00 14.13 O ATOM 0 H GLY A 62 -3.716 18.553 -20.455 1.00 14.10 H new ATOM 0 HA2 GLY A 62 -3.904 20.715 -22.289 1.00 41.34 H new ATOM 0 HA3 GLY A 62 -2.582 20.346 -21.199 1.00 41.34 H new ATOM 983 N GLN A 63 -2.148 18.164 -23.227 1.00 35.21 N ATOM 984 CA GLN A 63 -1.348 17.605 -24.310 1.00 45.02 C ATOM 985 C GLN A 63 -2.240 17.090 -25.435 1.00 13.13 C ATOM 986 O GLN A 63 -1.824 17.029 -26.592 1.00 3.12 O ATOM 987 CB GLN A 63 -0.462 16.472 -23.786 1.00 45.33 C ATOM 988 CG GLN A 63 0.979 16.889 -23.548 1.00 31.03 C ATOM 989 CD GLN A 63 1.765 17.039 -24.836 1.00 44.14 C ATOM 990 OE1 GLN A 63 1.189 17.102 -25.923 1.00 13.43 O ATOM 991 NE2 GLN A 63 3.086 17.099 -24.721 1.00 75.51 N ATOM 0 H GLN A 63 -2.496 17.475 -22.560 1.00 35.21 H new ATOM 0 HA GLN A 63 -0.714 18.398 -24.707 1.00 45.02 H new ATOM 0 HB2 GLN A 63 -0.882 16.095 -22.853 1.00 45.33 H new ATOM 0 HB3 GLN A 63 -0.480 15.648 -24.499 1.00 45.33 H new ATOM 0 HG2 GLN A 63 0.995 17.834 -23.005 1.00 31.03 H new ATOM 0 HG3 GLN A 63 1.467 16.149 -22.913 1.00 31.03 H new ATOM 0 HE21 GLN A 63 3.521 17.043 -23.800 1.00 75.51 H new ATOM 0 HE22 GLN A 63 3.666 17.201 -25.554 1.00 75.51 H new ATOM 1000 N LEU A 64 -3.468 16.721 -25.088 1.00 64.02 N ATOM 1001 CA LEU A 64 -4.420 16.211 -26.069 1.00 62.14 C ATOM 1002 C LEU A 64 -5.235 17.347 -26.678 1.00 13.41 C ATOM 1003 O LEU A 64 -5.722 17.240 -27.803 1.00 1.33 O ATOM 1004 CB LEU A 64 -5.355 15.190 -25.418 1.00 53.20 C ATOM 1005 CG LEU A 64 -4.692 13.923 -24.877 1.00 13.10 C ATOM 1006 CD1 LEU A 64 -5.729 13.006 -24.248 1.00 35.43 C ATOM 1007 CD2 LEU A 64 -3.939 13.200 -25.984 1.00 1.52 C ATOM 0 H LEU A 64 -3.828 16.765 -24.135 1.00 64.02 H new ATOM 0 HA LEU A 64 -3.858 15.724 -26.866 1.00 62.14 H new ATOM 0 HB2 LEU A 64 -5.881 15.679 -24.598 1.00 53.20 H new ATOM 0 HB3 LEU A 64 -6.108 14.898 -26.150 1.00 53.20 H new ATOM 0 HG LEU A 64 -3.976 14.211 -24.107 1.00 13.10 H new ATOM 0 HD11 LEU A 64 -5.239 12.109 -23.868 1.00 35.43 H new ATOM 0 HD12 LEU A 64 -6.223 13.525 -23.427 1.00 35.43 H new ATOM 0 HD13 LEU A 64 -6.469 12.725 -24.997 1.00 35.43 H new ATOM 0 HD21 LEU A 64 -3.474 12.301 -25.580 1.00 1.52 H new ATOM 0 HD22 LEU A 64 -4.634 12.924 -26.777 1.00 1.52 H new ATOM 0 HD23 LEU A 64 -3.169 13.856 -26.389 1.00 1.52 H new ATOM 1019 N GLN A 65 -5.377 18.436 -25.929 1.00 51.31 N ATOM 1020 CA GLN A 65 -6.131 19.592 -26.398 1.00 73.54 C ATOM 1021 C GLN A 65 -5.646 20.039 -27.773 1.00 60.40 C ATOM 1022 O GLN A 65 -6.391 20.031 -28.753 1.00 62.12 O ATOM 1023 CB GLN A 65 -6.008 20.747 -25.401 1.00 34.44 C ATOM 1024 CG GLN A 65 -7.254 20.958 -24.556 1.00 34.14 C ATOM 1025 CD GLN A 65 -7.074 22.041 -23.511 1.00 43.32 C ATOM 1026 OE1 GLN A 65 -6.001 22.635 -23.394 1.00 25.20 O ATOM 1027 NE2 GLN A 65 -8.127 22.307 -22.747 1.00 44.43 N ATOM 0 H GLN A 65 -4.980 18.542 -24.995 1.00 51.31 H new ATOM 0 HA GLN A 65 -7.178 19.301 -26.480 1.00 73.54 H new ATOM 0 HB2 GLN A 65 -5.160 20.558 -24.742 1.00 34.44 H new ATOM 0 HB3 GLN A 65 -5.790 21.665 -25.947 1.00 34.44 H new ATOM 0 HG2 GLN A 65 -8.089 21.221 -25.206 1.00 34.14 H new ATOM 0 HG3 GLN A 65 -7.516 20.022 -24.062 1.00 34.14 H new ATOM 0 HE21 GLN A 65 -8.996 21.790 -22.879 1.00 44.43 H new ATOM 0 HE22 GLN A 65 -8.067 23.028 -22.028 1.00 44.43 H new ATOM 1036 N PRO A 66 -4.368 20.437 -27.849 1.00 15.33 N ATOM 1037 CA PRO A 66 -3.754 20.895 -29.099 1.00 23.24 C ATOM 1038 C PRO A 66 -3.563 19.759 -30.100 1.00 70.05 C ATOM 1039 O PRO A 66 -3.354 19.996 -31.289 1.00 4.12 O ATOM 1040 CB PRO A 66 -2.400 21.445 -28.649 1.00 33.03 C ATOM 1041 CG PRO A 66 -2.096 20.718 -27.385 1.00 61.52 C ATOM 1042 CD PRO A 66 -3.422 20.473 -26.721 1.00 30.44 C ATOM 0 HA PRO A 66 -4.375 21.627 -29.615 1.00 23.24 H new ATOM 0 HB2 PRO A 66 -1.631 21.269 -29.402 1.00 33.03 H new ATOM 0 HB3 PRO A 66 -2.445 22.522 -28.485 1.00 33.03 H new ATOM 0 HG2 PRO A 66 -1.582 19.779 -27.589 1.00 61.52 H new ATOM 0 HG3 PRO A 66 -1.441 21.307 -26.743 1.00 61.52 H new ATOM 0 HD2 PRO A 66 -3.425 19.536 -26.164 1.00 30.44 H new ATOM 0 HD3 PRO A 66 -3.670 21.265 -26.014 1.00 30.44 H new ATOM 1050 N SER A 67 -3.634 18.526 -29.609 1.00 42.02 N ATOM 1051 CA SER A 67 -3.465 17.354 -30.460 1.00 63.43 C ATOM 1052 C SER A 67 -4.814 16.719 -30.786 1.00 41.14 C ATOM 1053 O SER A 67 -4.902 15.520 -31.050 1.00 22.53 O ATOM 1054 CB SER A 67 -2.559 16.328 -29.777 1.00 12.22 C ATOM 1055 OG SER A 67 -1.705 15.697 -30.716 1.00 71.24 O ATOM 0 H SER A 67 -3.807 18.313 -28.627 1.00 42.02 H new ATOM 0 HA SER A 67 -3.000 17.677 -31.391 1.00 63.43 H new ATOM 0 HB2 SER A 67 -1.961 16.820 -29.010 1.00 12.22 H new ATOM 0 HB3 SER A 67 -3.169 15.578 -29.274 1.00 12.22 H new ATOM 0 HG SER A 67 -1.135 15.047 -30.255 1.00 71.24 H new ATOM 1061 N LEU A 68 -5.864 17.534 -30.765 1.00 54.21 N ATOM 1062 CA LEU A 68 -7.211 17.054 -31.058 1.00 54.42 C ATOM 1063 C LEU A 68 -7.449 16.986 -32.563 1.00 54.24 C ATOM 1064 O LEU A 68 -8.147 16.098 -33.050 1.00 54.41 O ATOM 1065 CB LEU A 68 -8.251 17.966 -30.406 1.00 32.41 C ATOM 1066 CG LEU A 68 -8.781 17.514 -29.044 1.00 41.50 C ATOM 1067 CD1 LEU A 68 -9.690 18.575 -28.446 1.00 51.05 C ATOM 1068 CD2 LEU A 68 -9.518 16.189 -29.174 1.00 30.51 C ATOM 0 H LEU A 68 -5.809 18.529 -30.548 1.00 54.21 H new ATOM 0 HA LEU A 68 -7.310 16.049 -30.648 1.00 54.42 H new ATOM 0 HB2 LEU A 68 -7.815 18.958 -30.292 1.00 32.41 H new ATOM 0 HB3 LEU A 68 -9.096 18.065 -31.087 1.00 32.41 H new ATOM 0 HG LEU A 68 -7.933 17.372 -28.373 1.00 41.50 H new ATOM 0 HD11 LEU A 68 -10.057 18.236 -27.477 1.00 51.05 H new ATOM 0 HD12 LEU A 68 -9.132 19.502 -28.318 1.00 51.05 H new ATOM 0 HD13 LEU A 68 -10.534 18.749 -29.113 1.00 51.05 H new ATOM 0 HD21 LEU A 68 -9.889 15.881 -28.196 1.00 30.51 H new ATOM 0 HD22 LEU A 68 -10.357 16.305 -29.860 1.00 30.51 H new ATOM 0 HD23 LEU A 68 -8.837 15.430 -29.559 1.00 30.51 H new ATOM 1080 N GLN A 69 -6.863 17.930 -33.294 1.00 75.43 N ATOM 1081 CA GLN A 69 -7.010 17.975 -34.743 1.00 73.34 C ATOM 1082 C GLN A 69 -6.338 16.773 -35.397 1.00 53.30 C ATOM 1083 O GLN A 69 -6.977 16.004 -36.114 1.00 43.41 O ATOM 1084 CB GLN A 69 -6.416 19.272 -35.296 1.00 12.54 C ATOM 1085 CG GLN A 69 -6.906 19.618 -36.693 1.00 31.13 C ATOM 1086 CD GLN A 69 -6.825 21.102 -36.989 1.00 54.22 C ATOM 1087 OE1 GLN A 69 -7.630 21.891 -36.493 1.00 23.40 O ATOM 1088 NE2 GLN A 69 -5.849 21.493 -37.801 1.00 23.45 N ATOM 0 H GLN A 69 -6.282 18.673 -32.906 1.00 75.43 H new ATOM 0 HA GLN A 69 -8.074 17.943 -34.976 1.00 73.34 H new ATOM 0 HB2 GLN A 69 -6.662 20.091 -34.620 1.00 12.54 H new ATOM 0 HB3 GLN A 69 -5.329 19.187 -35.312 1.00 12.54 H new ATOM 0 HG2 GLN A 69 -6.313 19.072 -37.427 1.00 31.13 H new ATOM 0 HG3 GLN A 69 -7.938 19.285 -36.805 1.00 31.13 H new ATOM 0 HE21 GLN A 69 -5.203 20.806 -38.190 1.00 23.45 H new ATOM 0 HE22 GLN A 69 -5.745 22.480 -38.035 1.00 23.45 H new ATOM 1097 N THR A 70 -5.041 16.618 -35.145 1.00 22.44 N ATOM 1098 CA THR A 70 -4.281 15.510 -35.710 1.00 45.13 C ATOM 1099 C THR A 70 -4.196 14.345 -34.731 1.00 21.42 C ATOM 1100 O THR A 70 -3.215 13.603 -34.716 1.00 55.55 O ATOM 1101 CB THR A 70 -2.855 15.946 -36.096 1.00 70.34 C ATOM 1102 OG1 THR A 70 -2.284 16.738 -35.048 1.00 63.52 O ATOM 1103 CG2 THR A 70 -2.864 16.743 -37.392 1.00 42.10 C ATOM 0 H THR A 70 -4.496 17.246 -34.554 1.00 22.44 H new ATOM 0 HA THR A 70 -4.811 15.189 -36.607 1.00 45.13 H new ATOM 0 HB THR A 70 -2.253 15.049 -36.243 1.00 70.34 H new ATOM 0 HG1 THR A 70 -1.377 17.010 -35.300 1.00 63.52 H new ATOM 0 HG21 THR A 70 -1.846 17.040 -37.644 1.00 42.10 H new ATOM 0 HG22 THR A 70 -3.272 16.128 -38.194 1.00 42.10 H new ATOM 0 HG23 THR A 70 -3.481 17.633 -37.268 1.00 42.10 H new ATOM 1111 N GLY A 71 -5.233 14.187 -33.915 1.00 62.41 N ATOM 1112 CA GLY A 71 -5.256 13.109 -32.943 1.00 41.21 C ATOM 1113 C GLY A 71 -5.903 11.851 -33.488 1.00 44.30 C ATOM 1114 O GLY A 71 -7.010 11.897 -34.026 1.00 54.11 O ATOM 0 H GLY A 71 -6.058 14.786 -33.909 1.00 62.41 H new ATOM 0 HA2 GLY A 71 -4.236 12.884 -32.631 1.00 41.21 H new ATOM 0 HA3 GLY A 71 -5.796 13.436 -32.055 1.00 41.21 H new ATOM 1118 N SER A 72 -5.211 10.725 -33.352 1.00 21.20 N ATOM 1119 CA SER A 72 -5.723 9.449 -33.840 1.00 52.43 C ATOM 1120 C SER A 72 -6.994 9.053 -33.096 1.00 72.20 C ATOM 1121 O SER A 72 -7.474 9.787 -32.233 1.00 61.43 O ATOM 1122 CB SER A 72 -4.664 8.357 -33.682 1.00 71.21 C ATOM 1123 OG SER A 72 -4.933 7.545 -32.552 1.00 70.03 O ATOM 0 H SER A 72 -4.294 10.670 -32.908 1.00 21.20 H new ATOM 0 HA SER A 72 -5.963 9.562 -34.897 1.00 52.43 H new ATOM 0 HB2 SER A 72 -4.638 7.739 -34.580 1.00 71.21 H new ATOM 0 HB3 SER A 72 -3.679 8.813 -33.580 1.00 71.21 H new ATOM 0 HG SER A 72 -4.243 6.854 -32.474 1.00 70.03 H new ATOM 1129 N GLU A 73 -7.533 7.887 -33.437 1.00 51.12 N ATOM 1130 CA GLU A 73 -8.749 7.393 -32.802 1.00 21.11 C ATOM 1131 C GLU A 73 -8.577 7.310 -31.288 1.00 44.14 C ATOM 1132 O GLU A 73 -9.386 7.845 -30.531 1.00 51.44 O ATOM 1133 CB GLU A 73 -9.121 6.018 -33.361 1.00 71.10 C ATOM 1134 CG GLU A 73 -10.359 6.033 -34.241 1.00 13.13 C ATOM 1135 CD GLU A 73 -10.100 6.650 -35.601 1.00 3.23 C ATOM 1136 OE1 GLU A 73 -9.076 6.301 -36.225 1.00 1.30 O ATOM 1137 OE2 GLU A 73 -10.921 7.481 -36.042 1.00 5.35 O1- ATOM 0 H GLU A 73 -7.147 7.267 -34.149 1.00 51.12 H new ATOM 0 HA GLU A 73 -9.553 8.095 -33.021 1.00 21.11 H new ATOM 0 HB2 GLU A 73 -8.281 5.630 -33.937 1.00 71.10 H new ATOM 0 HB3 GLU A 73 -9.284 5.330 -32.531 1.00 71.10 H new ATOM 0 HG2 GLU A 73 -10.720 5.013 -34.372 1.00 13.13 H new ATOM 0 HG3 GLU A 73 -11.151 6.589 -33.739 1.00 13.13 H new ATOM 1144 N GLU A 74 -7.518 6.635 -30.855 1.00 33.14 N ATOM 1145 CA GLU A 74 -7.239 6.480 -29.432 1.00 25.20 C ATOM 1146 C GLU A 74 -7.171 7.838 -28.740 1.00 65.11 C ATOM 1147 O GLU A 74 -7.640 7.998 -27.613 1.00 44.34 O ATOM 1148 CB GLU A 74 -5.926 5.723 -29.225 1.00 41.43 C ATOM 1149 CG GLU A 74 -5.829 4.439 -30.032 1.00 44.33 C ATOM 1150 CD GLU A 74 -4.603 3.620 -29.681 1.00 72.33 C ATOM 1151 OE1 GLU A 74 -3.488 4.181 -29.706 1.00 74.42 O ATOM 1152 OE2 GLU A 74 -4.758 2.418 -29.381 1.00 45.33 O1- ATOM 0 H GLU A 74 -6.838 6.186 -31.469 1.00 33.14 H new ATOM 0 HA GLU A 74 -8.053 5.906 -28.989 1.00 25.20 H new ATOM 0 HB2 GLU A 74 -5.095 6.375 -29.494 1.00 41.43 H new ATOM 0 HB3 GLU A 74 -5.816 5.486 -28.167 1.00 41.43 H new ATOM 0 HG2 GLU A 74 -6.723 3.839 -29.862 1.00 44.33 H new ATOM 0 HG3 GLU A 74 -5.806 4.683 -31.094 1.00 44.33 H new ATOM 1159 N LEU A 75 -6.583 8.814 -29.424 1.00 61.24 N ATOM 1160 CA LEU A 75 -6.452 10.159 -28.876 1.00 51.33 C ATOM 1161 C LEU A 75 -7.820 10.757 -28.566 1.00 73.45 C ATOM 1162 O LEU A 75 -8.049 11.273 -27.472 1.00 41.15 O ATOM 1163 CB LEU A 75 -5.701 11.060 -29.858 1.00 54.41 C ATOM 1164 CG LEU A 75 -4.914 12.217 -29.240 1.00 0.45 C ATOM 1165 CD1 LEU A 75 -3.657 12.499 -30.050 1.00 60.15 C ATOM 1166 CD2 LEU A 75 -5.782 13.463 -29.148 1.00 30.20 C ATOM 0 H LEU A 75 -6.190 8.699 -30.358 1.00 61.24 H new ATOM 0 HA LEU A 75 -5.886 10.092 -27.947 1.00 51.33 H new ATOM 0 HB2 LEU A 75 -5.010 10.442 -30.431 1.00 54.41 H new ATOM 0 HB3 LEU A 75 -6.421 11.473 -30.565 1.00 54.41 H new ATOM 0 HG LEU A 75 -4.616 11.931 -28.231 1.00 0.45 H new ATOM 0 HD11 LEU A 75 -3.109 13.325 -29.596 1.00 60.15 H new ATOM 0 HD12 LEU A 75 -3.026 11.610 -30.065 1.00 60.15 H new ATOM 0 HD13 LEU A 75 -3.934 12.764 -31.070 1.00 60.15 H new ATOM 0 HD21 LEU A 75 -5.206 14.276 -28.706 1.00 30.20 H new ATOM 0 HD22 LEU A 75 -6.111 13.752 -30.146 1.00 30.20 H new ATOM 0 HD23 LEU A 75 -6.652 13.255 -28.526 1.00 30.20 H new ATOM 1178 N ARG A 76 -8.727 10.682 -29.534 1.00 2.23 N ATOM 1179 CA ARG A 76 -10.073 11.213 -29.364 1.00 43.34 C ATOM 1180 C ARG A 76 -10.760 10.580 -28.158 1.00 73.32 C ATOM 1181 O ARG A 76 -11.194 11.278 -27.241 1.00 1.03 O ATOM 1182 CB ARG A 76 -10.905 10.968 -30.624 1.00 74.02 C ATOM 1183 CG ARG A 76 -11.294 12.243 -31.354 1.00 23.04 C ATOM 1184 CD ARG A 76 -12.680 12.717 -30.946 1.00 43.23 C ATOM 1185 NE ARG A 76 -12.721 14.159 -30.721 1.00 72.25 N ATOM 1186 CZ ARG A 76 -13.841 14.838 -30.496 1.00 0.41 C ATOM 1187 NH1 ARG A 76 -15.007 14.207 -30.468 1.00 74.42 N1+ ATOM 1188 NH2 ARG A 76 -13.797 16.149 -30.300 1.00 52.43 N ATOM 0 H ARG A 76 -8.553 10.258 -30.445 1.00 2.23 H new ATOM 0 HA ARG A 76 -9.993 12.286 -29.193 1.00 43.34 H new ATOM 0 HB2 ARG A 76 -10.341 10.328 -31.303 1.00 74.02 H new ATOM 0 HB3 ARG A 76 -11.810 10.425 -30.352 1.00 74.02 H new ATOM 0 HG2 ARG A 76 -10.564 13.023 -31.140 1.00 23.04 H new ATOM 0 HG3 ARG A 76 -11.269 12.070 -32.430 1.00 23.04 H new ATOM 0 HD2 ARG A 76 -13.397 12.451 -31.722 1.00 43.23 H new ATOM 0 HD3 ARG A 76 -12.987 12.199 -30.037 1.00 43.23 H new ATOM 0 HE ARG A 76 -11.841 14.674 -30.737 1.00 72.25 H new ATOM 0 HH11 ARG A 76 -15.045 13.199 -30.619 1.00 74.42 H new ATOM 0 HH12 ARG A 76 -15.866 14.730 -30.295 1.00 74.42 H new ATOM 0 HH21 ARG A 76 -12.902 16.638 -30.322 1.00 52.43 H new ATOM 0 HH22 ARG A 76 -14.658 16.668 -30.128 1.00 52.43 H new ATOM 1202 N SER A 77 -10.854 9.254 -28.165 1.00 41.22 N ATOM 1203 CA SER A 77 -11.492 8.527 -27.073 1.00 54.32 C ATOM 1204 C SER A 77 -10.902 8.939 -25.729 1.00 74.23 C ATOM 1205 O SER A 77 -11.613 9.036 -24.728 1.00 25.32 O ATOM 1206 CB SER A 77 -11.328 7.019 -27.274 1.00 64.34 C ATOM 1207 OG SER A 77 -10.321 6.737 -28.230 1.00 64.32 O ATOM 0 H SER A 77 -10.497 8.661 -28.914 1.00 41.22 H new ATOM 0 HA SER A 77 -12.554 8.774 -27.075 1.00 54.32 H new ATOM 0 HB2 SER A 77 -11.074 6.548 -26.324 1.00 64.34 H new ATOM 0 HB3 SER A 77 -12.274 6.588 -27.600 1.00 64.34 H new ATOM 0 HG SER A 77 -9.482 7.164 -27.957 1.00 64.32 H new ATOM 1213 N LEU A 78 -9.596 9.182 -25.712 1.00 75.01 N ATOM 1214 CA LEU A 78 -8.908 9.585 -24.490 1.00 33.23 C ATOM 1215 C LEU A 78 -9.450 10.913 -23.972 1.00 74.52 C ATOM 1216 O LEU A 78 -9.977 10.989 -22.862 1.00 1.14 O ATOM 1217 CB LEU A 78 -7.403 9.699 -24.743 1.00 31.52 C ATOM 1218 CG LEU A 78 -6.536 8.592 -24.142 1.00 72.32 C ATOM 1219 CD1 LEU A 78 -6.752 8.502 -22.639 1.00 35.13 C ATOM 1220 CD2 LEU A 78 -6.838 7.257 -24.807 1.00 30.13 C ATOM 0 H LEU A 78 -8.992 9.107 -26.531 1.00 75.01 H new ATOM 0 HA LEU A 78 -9.087 8.821 -23.733 1.00 33.23 H new ATOM 0 HB2 LEU A 78 -7.236 9.719 -25.820 1.00 31.52 H new ATOM 0 HB3 LEU A 78 -7.060 10.656 -24.349 1.00 31.52 H new ATOM 0 HG LEU A 78 -5.490 8.837 -24.324 1.00 72.32 H new ATOM 0 HD11 LEU A 78 -6.127 7.709 -22.228 1.00 35.13 H new ATOM 0 HD12 LEU A 78 -6.484 9.452 -22.175 1.00 35.13 H new ATOM 0 HD13 LEU A 78 -7.800 8.281 -22.435 1.00 35.13 H new ATOM 0 HD21 LEU A 78 -6.212 6.481 -24.367 1.00 30.13 H new ATOM 0 HD22 LEU A 78 -7.888 7.005 -24.657 1.00 30.13 H new ATOM 0 HD23 LEU A 78 -6.631 7.327 -25.875 1.00 30.13 H new ATOM 1232 N TYR A 79 -9.319 11.956 -24.783 1.00 50.02 N ATOM 1233 CA TYR A 79 -9.795 13.282 -24.407 1.00 71.21 C ATOM 1234 C TYR A 79 -11.274 13.244 -24.037 1.00 25.45 C ATOM 1235 O TYR A 79 -11.754 14.072 -23.264 1.00 60.43 O ATOM 1236 CB TYR A 79 -9.571 14.272 -25.551 1.00 35.13 C ATOM 1237 CG TYR A 79 -9.711 15.719 -25.136 1.00 71.00 C ATOM 1238 CD1 TYR A 79 -8.702 16.359 -24.428 1.00 54.14 C ATOM 1239 CD2 TYR A 79 -10.853 16.444 -25.451 1.00 54.34 C ATOM 1240 CE1 TYR A 79 -8.825 17.682 -24.047 1.00 23.21 C ATOM 1241 CE2 TYR A 79 -10.985 17.767 -25.074 1.00 3.40 C ATOM 1242 CZ TYR A 79 -9.968 18.381 -24.372 1.00 5.41 C ATOM 1243 OH TYR A 79 -10.097 19.698 -23.994 1.00 0.23 O ATOM 0 H TYR A 79 -8.887 11.909 -25.706 1.00 50.02 H new ATOM 0 HA TYR A 79 -9.228 13.610 -23.536 1.00 71.21 H new ATOM 0 HB2 TYR A 79 -8.575 14.116 -25.965 1.00 35.13 H new ATOM 0 HB3 TYR A 79 -10.284 14.061 -26.348 1.00 35.13 H new ATOM 0 HD1 TYR A 79 -7.806 15.814 -24.171 1.00 54.14 H new ATOM 0 HD2 TYR A 79 -11.651 15.966 -26.000 1.00 54.34 H new ATOM 0 HE1 TYR A 79 -8.030 18.165 -23.498 1.00 23.21 H new ATOM 0 HE2 TYR A 79 -11.879 18.317 -25.327 1.00 3.40 H new ATOM 0 HH TYR A 79 -10.961 20.044 -24.302 1.00 0.23 H new ATOM 1253 N ASN A 80 -11.993 12.275 -24.594 1.00 0.05 N ATOM 1254 CA ASN A 80 -13.419 12.126 -24.322 1.00 50.50 C ATOM 1255 C ASN A 80 -13.653 11.620 -22.903 1.00 73.34 C ATOM 1256 O ASN A 80 -14.600 12.032 -22.232 1.00 20.13 O ATOM 1257 CB ASN A 80 -14.053 11.165 -25.330 1.00 64.24 C ATOM 1258 CG ASN A 80 -15.398 10.643 -24.862 1.00 34.42 C ATOM 1259 OD1 ASN A 80 -16.442 11.214 -25.177 1.00 13.50 O ATOM 1260 ND2 ASN A 80 -15.378 9.552 -24.105 1.00 54.11 N ATOM 0 H ASN A 80 -11.612 11.581 -25.237 1.00 0.05 H new ATOM 0 HA ASN A 80 -13.887 13.106 -24.420 1.00 50.50 H new ATOM 0 HB2 ASN A 80 -14.176 11.674 -26.286 1.00 64.24 H new ATOM 0 HB3 ASN A 80 -13.380 10.325 -25.501 1.00 64.24 H new ATOM 0 HD21 ASN A 80 -16.252 9.155 -23.760 1.00 54.11 H new ATOM 0 HD22 ASN A 80 -14.489 9.112 -23.869 1.00 54.11 H new ATOM 1267 N THR A 81 -12.782 10.724 -22.448 1.00 31.02 N ATOM 1268 CA THR A 81 -12.894 10.161 -21.109 1.00 75.30 C ATOM 1269 C THR A 81 -12.217 11.057 -20.078 1.00 21.42 C ATOM 1270 O THR A 81 -12.830 11.449 -19.085 1.00 24.33 O ATOM 1271 CB THR A 81 -12.270 8.754 -21.037 1.00 22.04 C ATOM 1272 OG1 THR A 81 -12.862 7.904 -22.026 1.00 41.21 O ATOM 1273 CG2 THR A 81 -12.465 8.145 -19.657 1.00 33.01 C ATOM 0 H THR A 81 -11.991 10.373 -22.988 1.00 31.02 H new ATOM 0 HA THR A 81 -13.958 10.091 -20.884 1.00 75.30 H new ATOM 0 HB THR A 81 -11.201 8.845 -21.229 1.00 22.04 H new ATOM 0 HG1 THR A 81 -12.532 8.156 -22.914 1.00 41.21 H new ATOM 0 HG21 THR A 81 -12.016 7.152 -19.631 1.00 33.01 H new ATOM 0 HG22 THR A 81 -11.988 8.779 -18.909 1.00 33.01 H new ATOM 0 HG23 THR A 81 -13.531 8.067 -19.441 1.00 33.01 H new ATOM 1281 N ILE A 82 -10.950 11.378 -20.319 1.00 22.13 N ATOM 1282 CA ILE A 82 -10.192 12.229 -19.411 1.00 44.42 C ATOM 1283 C ILE A 82 -10.945 13.520 -19.110 1.00 43.33 C ATOM 1284 O ILE A 82 -10.808 14.094 -18.031 1.00 62.33 O ATOM 1285 CB ILE A 82 -8.809 12.579 -19.992 1.00 75.20 C ATOM 1286 CG1 ILE A 82 -8.012 11.303 -20.273 1.00 42.05 C ATOM 1287 CG2 ILE A 82 -8.048 13.485 -19.036 1.00 52.40 C ATOM 1288 CD1 ILE A 82 -6.858 11.510 -21.228 1.00 12.54 C ATOM 0 H ILE A 82 -10.427 11.061 -21.136 1.00 22.13 H new ATOM 0 HA ILE A 82 -10.058 11.665 -18.488 1.00 44.42 H new ATOM 0 HB ILE A 82 -8.950 13.111 -20.933 1.00 75.20 H new ATOM 0 HG12 ILE A 82 -7.628 10.909 -19.332 1.00 42.05 H new ATOM 0 HG13 ILE A 82 -8.683 10.548 -20.684 1.00 42.05 H new ATOM 0 HG21 ILE A 82 -7.073 13.724 -19.460 1.00 52.40 H new ATOM 0 HG22 ILE A 82 -8.611 14.405 -18.881 1.00 52.40 H new ATOM 0 HG23 ILE A 82 -7.914 12.976 -18.081 1.00 52.40 H new ATOM 0 HD11 ILE A 82 -6.338 10.564 -21.381 1.00 12.54 H new ATOM 0 HD12 ILE A 82 -7.237 11.874 -22.183 1.00 12.54 H new ATOM 0 HD13 ILE A 82 -6.166 12.241 -20.809 1.00 12.54 H new ATOM 1300 N ALA A 83 -11.744 13.971 -20.073 1.00 50.03 N ATOM 1301 CA ALA A 83 -12.523 15.192 -19.909 1.00 1.22 C ATOM 1302 C ALA A 83 -13.592 15.022 -18.836 1.00 23.11 C ATOM 1303 O ALA A 83 -13.689 15.825 -17.908 1.00 3.30 O ATOM 1304 CB ALA A 83 -13.160 15.593 -21.232 1.00 15.13 C ATOM 0 H ALA A 83 -11.868 13.509 -20.974 1.00 50.03 H new ATOM 0 HA ALA A 83 -11.847 15.984 -19.588 1.00 1.22 H new ATOM 0 HB1 ALA A 83 -13.739 16.506 -21.095 1.00 15.13 H new ATOM 0 HB2 ALA A 83 -12.380 15.765 -21.974 1.00 15.13 H new ATOM 0 HB3 ALA A 83 -13.818 14.795 -21.576 1.00 15.13 H new ATOM 1310 N VAL A 84 -14.395 13.970 -18.969 1.00 40.31 N ATOM 1311 CA VAL A 84 -15.458 13.694 -18.011 1.00 60.45 C ATOM 1312 C VAL A 84 -14.888 13.391 -16.629 1.00 54.44 C ATOM 1313 O VAL A 84 -15.449 13.797 -15.610 1.00 4.42 O ATOM 1314 CB VAL A 84 -16.330 12.508 -18.464 1.00 54.23 C ATOM 1315 CG1 VAL A 84 -17.413 12.218 -17.437 1.00 24.13 C ATOM 1316 CG2 VAL A 84 -16.940 12.789 -19.829 1.00 23.02 C ATOM 0 H VAL A 84 -14.329 13.295 -19.731 1.00 40.31 H new ATOM 0 HA VAL A 84 -16.076 14.591 -17.959 1.00 60.45 H new ATOM 0 HB VAL A 84 -15.697 11.624 -18.548 1.00 54.23 H new ATOM 0 HG11 VAL A 84 -18.019 11.377 -17.775 1.00 24.13 H new ATOM 0 HG12 VAL A 84 -16.951 11.972 -16.481 1.00 24.13 H new ATOM 0 HG13 VAL A 84 -18.047 13.097 -17.318 1.00 24.13 H new ATOM 0 HG21 VAL A 84 -17.553 11.941 -20.135 1.00 23.02 H new ATOM 0 HG22 VAL A 84 -17.560 13.684 -19.773 1.00 23.02 H new ATOM 0 HG23 VAL A 84 -16.145 12.943 -20.558 1.00 23.02 H new ATOM 1326 N LEU A 85 -13.768 12.678 -16.602 1.00 22.42 N ATOM 1327 CA LEU A 85 -13.119 12.320 -15.344 1.00 51.54 C ATOM 1328 C LEU A 85 -12.611 13.564 -14.622 1.00 61.13 C ATOM 1329 O LEU A 85 -12.896 13.768 -13.441 1.00 54.31 O ATOM 1330 CB LEU A 85 -11.959 11.357 -15.602 1.00 42.21 C ATOM 1331 CG LEU A 85 -11.586 10.431 -14.444 1.00 1.23 C ATOM 1332 CD1 LEU A 85 -12.611 9.317 -14.301 1.00 24.13 C ATOM 1333 CD2 LEU A 85 -10.194 9.853 -14.651 1.00 74.12 C ATOM 0 H LEU A 85 -13.290 12.336 -17.436 1.00 22.42 H new ATOM 0 HA LEU A 85 -13.856 11.829 -14.709 1.00 51.54 H new ATOM 0 HB2 LEU A 85 -12.209 10.742 -16.467 1.00 42.21 H new ATOM 0 HB3 LEU A 85 -11.080 11.943 -15.871 1.00 42.21 H new ATOM 0 HG LEU A 85 -11.582 11.015 -13.523 1.00 1.23 H new ATOM 0 HD11 LEU A 85 -12.329 8.668 -13.472 1.00 24.13 H new ATOM 0 HD12 LEU A 85 -13.593 9.749 -14.106 1.00 24.13 H new ATOM 0 HD13 LEU A 85 -12.647 8.735 -15.222 1.00 24.13 H new ATOM 0 HD21 LEU A 85 -9.945 9.196 -13.817 1.00 74.12 H new ATOM 0 HD22 LEU A 85 -10.171 9.284 -15.580 1.00 74.12 H new ATOM 0 HD23 LEU A 85 -9.467 10.664 -14.704 1.00 74.12 H new ATOM 1345 N TYR A 86 -11.860 14.393 -15.338 1.00 15.43 N ATOM 1346 CA TYR A 86 -11.311 15.616 -14.764 1.00 0.32 C ATOM 1347 C TYR A 86 -12.406 16.444 -14.100 1.00 43.23 C ATOM 1348 O TYR A 86 -12.270 16.867 -12.952 1.00 2.11 O ATOM 1349 CB TYR A 86 -10.616 16.443 -15.846 1.00 53.44 C ATOM 1350 CG TYR A 86 -10.196 17.820 -15.380 1.00 10.25 C ATOM 1351 CD1 TYR A 86 -9.173 17.979 -14.454 1.00 75.33 C ATOM 1352 CD2 TYR A 86 -10.823 18.960 -15.867 1.00 73.23 C ATOM 1353 CE1 TYR A 86 -8.787 19.234 -14.024 1.00 51.42 C ATOM 1354 CE2 TYR A 86 -10.443 20.220 -15.445 1.00 34.32 C ATOM 1355 CZ TYR A 86 -9.425 20.351 -14.523 1.00 52.24 C ATOM 1356 OH TYR A 86 -9.042 21.603 -14.099 1.00 4.10 O ATOM 0 H TYR A 86 -11.617 14.241 -16.317 1.00 15.43 H new ATOM 0 HA TYR A 86 -10.581 15.336 -14.004 1.00 0.32 H new ATOM 0 HB2 TYR A 86 -9.736 15.903 -16.195 1.00 53.44 H new ATOM 0 HB3 TYR A 86 -11.286 16.546 -16.699 1.00 53.44 H new ATOM 0 HD1 TYR A 86 -8.671 17.106 -14.063 1.00 75.33 H new ATOM 0 HD2 TYR A 86 -11.621 18.860 -16.588 1.00 73.23 H new ATOM 0 HE1 TYR A 86 -7.991 19.340 -13.302 1.00 51.42 H new ATOM 0 HE2 TYR A 86 -10.940 21.096 -15.834 1.00 34.32 H new ATOM 0 HH TYR A 86 -9.589 22.282 -14.547 1.00 4.10 H new ATOM 1366 N CYS A 87 -13.492 16.672 -14.832 1.00 71.02 N ATOM 1367 CA CYS A 87 -14.613 17.450 -14.315 1.00 71.01 C ATOM 1368 C CYS A 87 -15.070 16.914 -12.963 1.00 3.14 C ATOM 1369 O CYS A 87 -15.569 17.661 -12.122 1.00 51.43 O ATOM 1370 CB CYS A 87 -15.776 17.428 -15.307 1.00 21.23 C ATOM 1371 SG CYS A 87 -15.473 18.366 -16.822 1.00 3.32 S ATOM 0 H CYS A 87 -13.620 16.329 -15.784 1.00 71.02 H new ATOM 0 HA CYS A 87 -14.279 18.479 -14.182 1.00 71.01 H new ATOM 0 HB2 CYS A 87 -15.995 16.393 -15.571 1.00 21.23 H new ATOM 0 HB3 CYS A 87 -16.665 17.827 -14.817 1.00 21.23 H new ATOM 0 HG CYS A 87 -14.726 17.666 -17.624 1.00 3.32 H new ATOM 1377 N VAL A 88 -14.899 15.611 -12.761 1.00 20.32 N ATOM 1378 CA VAL A 88 -15.295 14.972 -11.511 1.00 50.51 C ATOM 1379 C VAL A 88 -14.339 15.338 -10.380 1.00 44.34 C ATOM 1380 O VAL A 88 -14.765 15.603 -9.255 1.00 30.15 O ATOM 1381 CB VAL A 88 -15.341 13.439 -11.653 1.00 43.51 C ATOM 1382 CG1 VAL A 88 -15.936 12.804 -10.407 1.00 63.15 C ATOM 1383 CG2 VAL A 88 -16.130 13.044 -12.893 1.00 34.35 C ATOM 0 H VAL A 88 -14.489 14.977 -13.447 1.00 20.32 H new ATOM 0 HA VAL A 88 -16.294 15.337 -11.272 1.00 50.51 H new ATOM 0 HB VAL A 88 -14.321 13.071 -11.766 1.00 43.51 H new ATOM 0 HG11 VAL A 88 -15.960 11.721 -10.527 1.00 63.15 H new ATOM 0 HG12 VAL A 88 -15.325 13.060 -9.541 1.00 63.15 H new ATOM 0 HG13 VAL A 88 -16.950 13.175 -10.258 1.00 63.15 H new ATOM 0 HG21 VAL A 88 -16.153 11.958 -12.979 1.00 34.35 H new ATOM 0 HG22 VAL A 88 -17.149 13.423 -12.812 1.00 34.35 H new ATOM 0 HG23 VAL A 88 -15.654 13.468 -13.777 1.00 34.35 H new ATOM 1393 N HIS A 89 -13.046 15.352 -10.687 1.00 61.31 N ATOM 1394 CA HIS A 89 -12.028 15.687 -9.697 1.00 63.11 C ATOM 1395 C HIS A 89 -11.965 17.195 -9.473 1.00 63.55 C ATOM 1396 O HIS A 89 -11.399 17.592 -8.455 1.00 20.22 O ATOM 1397 CB HIS A 89 -10.661 15.169 -10.143 1.00 45.31 C ATOM 1398 CG HIS A 89 -10.627 13.688 -10.370 1.00 52.21 C ATOM 1399 ND1 HIS A 89 -11.447 12.806 -9.701 1.00 31.14 N ATOM 1400 CD2 HIS A 89 -9.865 12.937 -11.199 1.00 42.15 C ATOM 1401 CE1 HIS A 89 -11.190 11.575 -10.107 1.00 41.13 C ATOM 1402 NE2 HIS A 89 -10.234 11.627 -11.018 1.00 72.14 N ATOM 0 H HIS A 89 -12.678 15.135 -11.613 1.00 61.31 H new ATOM 0 HA HIS A 89 -12.300 15.208 -8.757 1.00 63.11 H new ATOM 0 HB2 HIS A 89 -10.372 15.676 -11.063 1.00 45.31 H new ATOM 0 HB3 HIS A 89 -9.919 15.430 -9.389 1.00 45.31 H new ATOM 0 HD1 HIS A 89 -12.144 13.063 -9.002 1.00 31.14 H new ATOM 0 HD2 HIS A 89 -9.107 13.301 -11.877 1.00 42.15 H new ATOM 0 HE1 HIS A 89 -11.678 10.679 -9.754 1.00 41.13 H new ATOM 0 HE2 HIS A 89 -9.836 10.825 -11.507 1.00 72.14 H new ATOM 1411 N GLN A 90 -12.511 18.016 -10.364 1.00 1.30 N ATOM 1412 CA GLN A 90 -12.474 19.463 -10.193 1.00 42.25 C ATOM 1413 C GLN A 90 -13.726 19.959 -9.476 1.00 2.31 C ATOM 1414 O GLN A 90 -13.678 20.324 -8.302 1.00 0.33 O ATOM 1415 CB GLN A 90 -12.341 20.156 -11.550 1.00 2.21 C ATOM 1416 CG GLN A 90 -10.987 20.812 -11.769 1.00 22.51 C ATOM 1417 CD GLN A 90 -10.630 21.793 -10.669 1.00 32.34 C ATOM 1418 OE1 GLN A 90 -11.367 22.744 -10.406 1.00 12.30 O ATOM 1419 NE2 GLN A 90 -9.495 21.566 -10.019 1.00 20.15 N ATOM 0 H GLN A 90 -12.984 17.703 -11.212 1.00 1.30 H new ATOM 0 HA GLN A 90 -11.606 19.708 -9.582 1.00 42.25 H new ATOM 0 HB2 GLN A 90 -12.513 19.425 -12.340 1.00 2.21 H new ATOM 0 HB3 GLN A 90 -13.121 20.912 -11.640 1.00 2.21 H new ATOM 0 HG2 GLN A 90 -10.219 20.041 -11.827 1.00 22.51 H new ATOM 0 HG3 GLN A 90 -10.990 21.331 -12.727 1.00 22.51 H new ATOM 0 HE21 GLN A 90 -8.915 20.766 -10.270 1.00 20.15 H new ATOM 0 HE22 GLN A 90 -9.203 22.192 -9.268 1.00 20.15 H new ATOM 1428 N ARG A 91 -14.847 19.968 -10.191 1.00 13.42 N ATOM 1429 CA ARG A 91 -16.111 20.420 -9.625 1.00 41.03 C ATOM 1430 C ARG A 91 -17.237 20.311 -10.650 1.00 73.41 C ATOM 1431 O ARG A 91 -18.378 20.007 -10.301 1.00 44.34 O ATOM 1432 CB ARG A 91 -15.989 21.866 -9.139 1.00 75.53 C ATOM 1433 CG ARG A 91 -16.518 22.082 -7.730 1.00 31.02 C ATOM 1434 CD ARG A 91 -18.020 22.316 -7.729 1.00 0.20 C ATOM 1435 NE ARG A 91 -18.354 23.729 -7.572 1.00 32.52 N ATOM 1436 CZ ARG A 91 -19.565 24.227 -7.796 1.00 54.24 C ATOM 1437 NH1 ARG A 91 -20.551 23.433 -8.185 1.00 20.44 N1+ ATOM 1438 NH2 ARG A 91 -19.790 25.525 -7.631 1.00 51.31 N ATOM 0 H ARG A 91 -14.904 19.667 -11.164 1.00 13.42 H new ATOM 0 HA ARG A 91 -16.350 19.777 -8.778 1.00 41.03 H new ATOM 0 HB2 ARG A 91 -14.941 22.165 -9.174 1.00 75.53 H new ATOM 0 HB3 ARG A 91 -16.530 22.518 -9.825 1.00 75.53 H new ATOM 0 HG2 ARG A 91 -16.284 21.213 -7.115 1.00 31.02 H new ATOM 0 HG3 ARG A 91 -16.015 22.937 -7.278 1.00 31.02 H new ATOM 0 HD2 ARG A 91 -18.445 21.944 -8.661 1.00 0.20 H new ATOM 0 HD3 ARG A 91 -18.475 21.744 -6.921 1.00 0.20 H new ATOM 0 HE ARG A 91 -17.617 24.368 -7.274 1.00 32.52 H new ATOM 0 HH11 ARG A 91 -20.382 22.435 -8.314 1.00 20.44 H new ATOM 0 HH12 ARG A 91 -21.479 23.819 -8.356 1.00 20.44 H new ATOM 0 HH21 ARG A 91 -19.033 26.140 -7.332 1.00 51.31 H new ATOM 0 HH22 ARG A 91 -20.720 25.907 -7.803 1.00 51.31 H new ATOM 1452 N ILE A 92 -16.907 20.561 -11.912 1.00 53.42 N ATOM 1453 CA ILE A 92 -17.890 20.490 -12.986 1.00 35.43 C ATOM 1454 C ILE A 92 -18.634 19.159 -12.963 1.00 35.54 C ATOM 1455 O ILE A 92 -18.020 18.092 -12.991 1.00 23.12 O ATOM 1456 CB ILE A 92 -17.229 20.671 -14.366 1.00 74.35 C ATOM 1457 CG1 ILE A 92 -16.397 21.956 -14.392 1.00 33.13 C ATOM 1458 CG2 ILE A 92 -18.287 20.697 -15.460 1.00 74.13 C ATOM 1459 CD1 ILE A 92 -14.905 21.708 -14.432 1.00 61.20 C ATOM 0 H ILE A 92 -15.967 20.814 -12.216 1.00 53.42 H new ATOM 0 HA ILE A 92 -18.598 21.302 -12.821 1.00 35.43 H new ATOM 0 HB ILE A 92 -16.565 19.826 -14.549 1.00 74.35 H new ATOM 0 HG12 ILE A 92 -16.683 22.547 -15.262 1.00 33.13 H new ATOM 0 HG13 ILE A 92 -16.635 22.551 -13.511 1.00 33.13 H new ATOM 0 HG21 ILE A 92 -17.805 20.825 -16.429 1.00 74.13 H new ATOM 0 HG22 ILE A 92 -18.842 19.759 -15.452 1.00 74.13 H new ATOM 0 HG23 ILE A 92 -18.973 21.525 -15.283 1.00 74.13 H new ATOM 0 HD11 ILE A 92 -14.378 22.662 -14.449 1.00 61.20 H new ATOM 0 HD12 ILE A 92 -14.606 21.144 -13.549 1.00 61.20 H new ATOM 0 HD13 ILE A 92 -14.655 21.139 -15.328 1.00 61.20 H new ATOM 1471 N ASP A 93 -19.959 19.230 -12.913 1.00 74.43 N ATOM 1472 CA ASP A 93 -20.789 18.031 -12.889 1.00 34.13 C ATOM 1473 C ASP A 93 -21.640 17.934 -14.151 1.00 2.24 C ATOM 1474 O ASP A 93 -22.869 17.987 -14.090 1.00 72.32 O ATOM 1475 CB ASP A 93 -21.688 18.031 -11.651 1.00 13.42 C ATOM 1476 CG ASP A 93 -20.895 18.070 -10.360 1.00 14.51 C ATOM 1477 OD1 ASP A 93 -19.700 17.708 -10.387 1.00 54.24 O1- ATOM 1478 OD2 ASP A 93 -21.469 18.462 -9.323 1.00 32.21 O ATOM 0 H ASP A 93 -20.482 20.105 -12.888 1.00 74.43 H new ATOM 0 HA ASP A 93 -20.130 17.164 -12.849 1.00 34.13 H new ATOM 0 HB2 ASP A 93 -22.355 18.892 -11.690 1.00 13.42 H new ATOM 0 HB3 ASP A 93 -22.316 17.140 -11.662 1.00 13.42 H new ATOM 1483 N VAL A 94 -20.979 17.792 -15.295 1.00 13.52 N ATOM 1484 CA VAL A 94 -21.674 17.688 -16.573 1.00 25.33 C ATOM 1485 C VAL A 94 -22.472 16.391 -16.660 1.00 71.43 C ATOM 1486 O VAL A 94 -22.174 15.418 -15.967 1.00 21.10 O ATOM 1487 CB VAL A 94 -20.690 17.752 -17.755 1.00 42.23 C ATOM 1488 CG1 VAL A 94 -19.858 19.025 -17.689 1.00 1.23 C ATOM 1489 CG2 VAL A 94 -19.796 16.522 -17.772 1.00 23.51 C ATOM 0 H VAL A 94 -19.962 17.746 -15.363 1.00 13.52 H new ATOM 0 HA VAL A 94 -22.356 18.536 -16.632 1.00 25.33 H new ATOM 0 HB VAL A 94 -21.264 17.768 -18.682 1.00 42.23 H new ATOM 0 HG11 VAL A 94 -19.168 19.053 -18.532 1.00 1.23 H new ATOM 0 HG12 VAL A 94 -20.517 19.893 -17.730 1.00 1.23 H new ATOM 0 HG13 VAL A 94 -19.293 19.042 -16.757 1.00 1.23 H new ATOM 0 HG21 VAL A 94 -19.107 16.585 -18.614 1.00 23.51 H new ATOM 0 HG22 VAL A 94 -19.229 16.471 -16.842 1.00 23.51 H new ATOM 0 HG23 VAL A 94 -20.410 15.627 -17.872 1.00 23.51 H new ATOM 1499 N LYS A 95 -23.488 16.385 -17.516 1.00 31.11 N ATOM 1500 CA LYS A 95 -24.329 15.207 -17.696 1.00 40.53 C ATOM 1501 C LYS A 95 -23.767 14.299 -18.786 1.00 60.31 C ATOM 1502 O LYS A 95 -24.004 13.091 -18.782 1.00 44.40 O ATOM 1503 CB LYS A 95 -25.757 15.626 -18.054 1.00 70.34 C ATOM 1504 CG LYS A 95 -26.596 16.016 -16.848 1.00 2.41 C ATOM 1505 CD LYS A 95 -27.490 14.874 -16.397 1.00 1.13 C ATOM 1506 CE LYS A 95 -27.562 14.788 -14.881 1.00 62.13 C ATOM 1507 NZ LYS A 95 -26.817 13.610 -14.355 1.00 44.31 N1+ ATOM 0 H LYS A 95 -23.749 17.182 -18.096 1.00 31.11 H new ATOM 0 HA LYS A 95 -24.343 14.653 -16.757 1.00 40.53 H new ATOM 0 HB2 LYS A 95 -25.717 16.467 -18.746 1.00 70.34 H new ATOM 0 HB3 LYS A 95 -26.247 14.805 -18.577 1.00 70.34 H new ATOM 0 HG2 LYS A 95 -25.941 16.312 -16.028 1.00 2.41 H new ATOM 0 HG3 LYS A 95 -27.209 16.883 -17.095 1.00 2.41 H new ATOM 0 HD2 LYS A 95 -28.492 15.013 -16.803 1.00 1.13 H new ATOM 0 HD3 LYS A 95 -27.111 13.934 -16.798 1.00 1.13 H new ATOM 0 HE2 LYS A 95 -27.153 15.700 -14.446 1.00 62.13 H new ATOM 0 HE3 LYS A 95 -28.605 14.726 -14.570 1.00 62.13 H new ATOM 0 HZ1 LYS A 95 -26.891 13.588 -13.318 1.00 44.31 H new ATOM 0 HZ2 LYS A 95 -27.223 12.738 -14.750 1.00 44.31 H new ATOM 0 HZ3 LYS A 95 -25.816 13.681 -14.630 1.00 44.31 H new ATOM 1521 N ASP A 96 -23.022 14.888 -19.714 1.00 43.21 N ATOM 1522 CA ASP A 96 -22.424 14.131 -20.808 1.00 62.34 C ATOM 1523 C ASP A 96 -20.997 14.599 -21.076 1.00 45.21 C ATOM 1524 O ASP A 96 -20.483 15.485 -20.392 1.00 65.20 O ATOM 1525 CB ASP A 96 -23.268 14.274 -22.076 1.00 31.45 C ATOM 1526 CG ASP A 96 -23.649 15.713 -22.359 1.00 21.33 C ATOM 1527 OD1 ASP A 96 -24.692 16.163 -21.841 1.00 13.03 O1- ATOM 1528 OD2 ASP A 96 -22.905 16.389 -23.099 1.00 53.25 O ATOM 0 H ASP A 96 -22.817 15.887 -19.731 1.00 43.21 H new ATOM 0 HA ASP A 96 -22.394 13.081 -20.517 1.00 62.34 H new ATOM 0 HB2 ASP A 96 -22.713 13.875 -22.925 1.00 31.45 H new ATOM 0 HB3 ASP A 96 -24.173 13.675 -21.976 1.00 31.45 H new ATOM 1533 N THR A 97 -20.360 13.997 -22.076 1.00 21.10 N ATOM 1534 CA THR A 97 -18.992 14.350 -22.433 1.00 44.51 C ATOM 1535 C THR A 97 -18.938 15.703 -23.134 1.00 42.14 C ATOM 1536 O THR A 97 -18.046 16.511 -22.879 1.00 72.04 O ATOM 1537 CB THR A 97 -18.359 13.285 -23.349 1.00 55.33 C ATOM 1538 OG1 THR A 97 -18.330 12.019 -22.680 1.00 54.23 O ATOM 1539 CG2 THR A 97 -16.946 13.687 -23.748 1.00 24.44 C ATOM 0 H THR A 97 -20.770 13.263 -22.653 1.00 21.10 H new ATOM 0 HA THR A 97 -18.426 14.403 -21.503 1.00 44.51 H new ATOM 0 HB THR A 97 -18.966 13.205 -24.251 1.00 55.33 H new ATOM 0 HG1 THR A 97 -19.235 11.784 -22.385 1.00 54.23 H new ATOM 0 HG21 THR A 97 -16.519 12.921 -24.395 1.00 24.44 H new ATOM 0 HG22 THR A 97 -16.975 14.637 -24.282 1.00 24.44 H new ATOM 0 HG23 THR A 97 -16.331 13.792 -22.854 1.00 24.44 H new ATOM 1547 N LYS A 98 -19.901 15.945 -24.019 1.00 54.02 N ATOM 1548 CA LYS A 98 -19.965 17.202 -24.756 1.00 24.44 C ATOM 1549 C LYS A 98 -19.926 18.393 -23.804 1.00 20.21 C ATOM 1550 O LYS A 98 -19.114 19.303 -23.968 1.00 3.05 O ATOM 1551 CB LYS A 98 -21.237 17.254 -25.605 1.00 64.43 C ATOM 1552 CG LYS A 98 -21.119 18.153 -26.823 1.00 34.11 C ATOM 1553 CD LYS A 98 -20.953 17.345 -28.099 1.00 32.31 C ATOM 1554 CE LYS A 98 -19.500 16.951 -28.324 1.00 44.11 C ATOM 1555 NZ LYS A 98 -18.696 18.085 -28.857 1.00 13.32 N1+ ATOM 0 H LYS A 98 -20.647 15.287 -24.243 1.00 54.02 H new ATOM 0 HA LYS A 98 -19.096 17.256 -25.412 1.00 24.44 H new ATOM 0 HB2 LYS A 98 -21.487 16.245 -25.932 1.00 64.43 H new ATOM 0 HB3 LYS A 98 -22.063 17.602 -24.985 1.00 64.43 H new ATOM 0 HG2 LYS A 98 -22.007 18.780 -26.901 1.00 34.11 H new ATOM 0 HG3 LYS A 98 -20.267 18.822 -26.701 1.00 34.11 H new ATOM 0 HD2 LYS A 98 -21.570 16.448 -28.046 1.00 32.31 H new ATOM 0 HD3 LYS A 98 -21.309 17.927 -28.949 1.00 32.31 H new ATOM 0 HE2 LYS A 98 -19.067 16.608 -27.384 1.00 44.11 H new ATOM 0 HE3 LYS A 98 -19.454 16.114 -29.020 1.00 44.11 H new ATOM 0 HZ1 LYS A 98 -17.725 17.764 -29.045 1.00 13.32 H new ATOM 0 HZ2 LYS A 98 -19.124 18.429 -29.740 1.00 13.32 H new ATOM 0 HZ3 LYS A 98 -18.677 18.855 -28.159 1.00 13.32 H new ATOM 1569 N GLU A 99 -20.808 18.380 -22.810 1.00 25.35 N ATOM 1570 CA GLU A 99 -20.874 19.460 -21.832 1.00 32.14 C ATOM 1571 C GLU A 99 -19.516 19.674 -21.169 1.00 61.24 C ATOM 1572 O GLU A 99 -19.125 20.806 -20.886 1.00 75.11 O ATOM 1573 CB GLU A 99 -21.930 19.153 -20.769 1.00 1.23 C ATOM 1574 CG GLU A 99 -23.334 19.577 -21.166 1.00 4.32 C ATOM 1575 CD GLU A 99 -24.072 20.276 -20.042 1.00 72.13 C ATOM 1576 OE1 GLU A 99 -23.755 20.005 -18.865 1.00 52.02 O1- ATOM 1577 OE2 GLU A 99 -24.967 21.095 -20.339 1.00 74.35 O ATOM 0 H GLU A 99 -21.487 17.634 -22.660 1.00 25.35 H new ATOM 0 HA GLU A 99 -21.153 20.374 -22.356 1.00 32.14 H new ATOM 0 HB2 GLU A 99 -21.927 18.082 -20.564 1.00 1.23 H new ATOM 0 HB3 GLU A 99 -21.656 19.656 -19.841 1.00 1.23 H new ATOM 0 HG2 GLU A 99 -23.279 20.242 -22.028 1.00 4.32 H new ATOM 0 HG3 GLU A 99 -23.900 18.699 -21.477 1.00 4.32 H new ATOM 1584 N ALA A 100 -18.805 18.579 -20.922 1.00 53.24 N ATOM 1585 CA ALA A 100 -17.491 18.648 -20.293 1.00 24.00 C ATOM 1586 C ALA A 100 -16.499 19.401 -21.173 1.00 3.11 C ATOM 1587 O ALA A 100 -15.799 20.301 -20.708 1.00 21.35 O ATOM 1588 CB ALA A 100 -16.976 17.248 -19.993 1.00 1.42 C ATOM 0 H ALA A 100 -19.116 17.634 -21.147 1.00 53.24 H new ATOM 0 HA ALA A 100 -17.593 19.195 -19.356 1.00 24.00 H new ATOM 0 HB1 ALA A 100 -15.994 17.314 -19.524 1.00 1.42 H new ATOM 0 HB2 ALA A 100 -17.667 16.743 -19.319 1.00 1.42 H new ATOM 0 HB3 ALA A 100 -16.897 16.683 -20.922 1.00 1.42 H new ATOM 1594 N LEU A 101 -16.445 19.029 -22.447 1.00 12.34 N ATOM 1595 CA LEU A 101 -15.537 19.669 -23.394 1.00 61.23 C ATOM 1596 C LEU A 101 -15.801 21.169 -23.471 1.00 33.22 C ATOM 1597 O LEU A 101 -14.879 21.963 -23.657 1.00 22.34 O ATOM 1598 CB LEU A 101 -15.688 19.041 -24.779 1.00 3.51 C ATOM 1599 CG LEU A 101 -15.559 17.519 -24.846 1.00 21.41 C ATOM 1600 CD1 LEU A 101 -16.120 16.991 -26.157 1.00 33.44 C ATOM 1601 CD2 LEU A 101 -14.106 17.099 -24.677 1.00 51.02 C ATOM 0 H LEU A 101 -17.019 18.288 -22.849 1.00 12.34 H new ATOM 0 HA LEU A 101 -14.517 19.516 -23.042 1.00 61.23 H new ATOM 0 HB2 LEU A 101 -16.663 19.320 -25.178 1.00 3.51 H new ATOM 0 HB3 LEU A 101 -14.937 19.478 -25.437 1.00 3.51 H new ATOM 0 HG LEU A 101 -16.138 17.089 -24.029 1.00 21.41 H new ATOM 0 HD11 LEU A 101 -16.019 15.906 -26.185 1.00 33.44 H new ATOM 0 HD12 LEU A 101 -17.173 17.259 -26.236 1.00 33.44 H new ATOM 0 HD13 LEU A 101 -15.570 17.428 -26.990 1.00 33.44 H new ATOM 0 HD21 LEU A 101 -14.033 16.013 -24.727 1.00 51.02 H new ATOM 0 HD22 LEU A 101 -13.505 17.540 -25.472 1.00 51.02 H new ATOM 0 HD23 LEU A 101 -13.738 17.443 -23.710 1.00 51.02 H new ATOM 1613 N ASP A 102 -17.065 21.551 -23.324 1.00 31.24 N ATOM 1614 CA ASP A 102 -17.450 22.956 -23.373 1.00 41.31 C ATOM 1615 C ASP A 102 -16.933 23.705 -22.149 1.00 1.32 C ATOM 1616 O ASP A 102 -16.486 24.848 -22.251 1.00 31.42 O ATOM 1617 CB ASP A 102 -18.971 23.088 -23.461 1.00 24.14 C ATOM 1618 CG ASP A 102 -19.414 24.504 -23.770 1.00 31.30 C ATOM 1619 OD1 ASP A 102 -19.316 24.913 -24.946 1.00 51.05 O ATOM 1620 OD2 ASP A 102 -19.859 25.204 -22.836 1.00 32.24 O1- ATOM 0 H ASP A 102 -17.841 20.907 -23.170 1.00 31.24 H new ATOM 0 HA ASP A 102 -17.002 23.398 -24.263 1.00 41.31 H new ATOM 0 HB2 ASP A 102 -19.347 22.417 -24.233 1.00 24.14 H new ATOM 0 HB3 ASP A 102 -19.415 22.769 -22.518 1.00 24.14 H new ATOM 1625 N LYS A 103 -16.997 23.054 -20.993 1.00 31.10 N ATOM 1626 CA LYS A 103 -16.534 23.657 -19.748 1.00 22.15 C ATOM 1627 C LYS A 103 -15.020 23.837 -19.761 1.00 52.35 C ATOM 1628 O LYS A 103 -14.507 24.884 -19.364 1.00 64.53 O ATOM 1629 CB LYS A 103 -16.945 22.791 -18.556 1.00 72.45 C ATOM 1630 CG LYS A 103 -18.446 22.587 -18.440 1.00 25.31 C ATOM 1631 CD LYS A 103 -19.075 23.592 -17.490 1.00 43.33 C ATOM 1632 CE LYS A 103 -20.209 24.355 -18.157 1.00 2.35 C ATOM 1633 NZ LYS A 103 -21.489 23.594 -18.115 1.00 54.20 N1+ ATOM 0 H LYS A 103 -17.365 22.108 -20.892 1.00 31.10 H new ATOM 0 HA LYS A 103 -16.998 24.639 -19.654 1.00 22.15 H new ATOM 0 HB2 LYS A 103 -16.460 21.818 -18.640 1.00 72.45 H new ATOM 0 HB3 LYS A 103 -16.578 23.252 -17.639 1.00 72.45 H new ATOM 0 HG2 LYS A 103 -18.904 22.681 -19.425 1.00 25.31 H new ATOM 0 HG3 LYS A 103 -18.650 21.576 -18.088 1.00 25.31 H new ATOM 0 HD2 LYS A 103 -19.453 23.074 -16.608 1.00 43.33 H new ATOM 0 HD3 LYS A 103 -18.315 24.294 -17.146 1.00 43.33 H new ATOM 0 HE2 LYS A 103 -20.341 25.316 -17.661 1.00 2.35 H new ATOM 0 HE3 LYS A 103 -19.945 24.565 -19.193 1.00 2.35 H new ATOM 0 HZ1 LYS A 103 -22.237 24.147 -18.579 1.00 54.20 H new ATOM 0 HZ2 LYS A 103 -21.370 22.687 -18.611 1.00 54.20 H new ATOM 0 HZ3 LYS A 103 -21.754 23.415 -17.125 1.00 54.20 H new ATOM 1647 N ILE A 104 -14.310 22.813 -20.221 1.00 72.22 N ATOM 1648 CA ILE A 104 -12.854 22.861 -20.287 1.00 44.23 C ATOM 1649 C ILE A 104 -12.386 23.812 -21.383 1.00 34.25 C ATOM 1650 O ILE A 104 -11.303 24.390 -21.294 1.00 42.52 O ATOM 1651 CB ILE A 104 -12.257 21.465 -20.544 1.00 0.05 C ATOM 1652 CG1 ILE A 104 -12.699 20.488 -19.452 1.00 0.22 C ATOM 1653 CG2 ILE A 104 -10.738 21.543 -20.608 1.00 41.32 C ATOM 1654 CD1 ILE A 104 -12.396 19.042 -19.778 1.00 62.54 C ATOM 0 H ILE A 104 -14.719 21.940 -20.554 1.00 72.22 H new ATOM 0 HA ILE A 104 -12.505 23.224 -19.320 1.00 44.23 H new ATOM 0 HB ILE A 104 -12.625 21.100 -21.503 1.00 0.05 H new ATOM 0 HG12 ILE A 104 -12.205 20.753 -18.517 1.00 0.22 H new ATOM 0 HG13 ILE A 104 -13.771 20.599 -19.289 1.00 0.22 H new ATOM 0 HG21 ILE A 104 -10.330 20.549 -20.790 1.00 41.32 H new ATOM 0 HG22 ILE A 104 -10.442 22.211 -21.417 1.00 41.32 H new ATOM 0 HG23 ILE A 104 -10.353 21.925 -19.663 1.00 41.32 H new ATOM 0 HD11 ILE A 104 -12.736 18.406 -18.961 1.00 62.54 H new ATOM 0 HD12 ILE A 104 -12.912 18.760 -20.696 1.00 62.54 H new ATOM 0 HD13 ILE A 104 -11.322 18.917 -19.912 1.00 62.54 H new ATOM 1666 N GLU A 105 -13.209 23.970 -22.415 1.00 63.00 N ATOM 1667 CA GLU A 105 -12.878 24.852 -23.528 1.00 35.12 C ATOM 1668 C GLU A 105 -13.138 26.310 -23.162 1.00 72.42 C ATOM 1669 O GLU A 105 -12.286 27.174 -23.368 1.00 35.25 O ATOM 1670 CB GLU A 105 -13.691 24.474 -24.767 1.00 0.53 C ATOM 1671 CG GLU A 105 -13.282 25.233 -26.019 1.00 33.31 C ATOM 1672 CD GLU A 105 -13.337 24.373 -27.266 1.00 1.04 C ATOM 1673 OE1 GLU A 105 -14.077 23.366 -27.261 1.00 74.32 O ATOM 1674 OE2 GLU A 105 -12.640 24.705 -28.248 1.00 64.15 O1- ATOM 0 H GLU A 105 -14.109 23.499 -22.503 1.00 63.00 H new ATOM 0 HA GLU A 105 -11.817 24.734 -23.748 1.00 35.12 H new ATOM 0 HB2 GLU A 105 -13.584 23.405 -24.949 1.00 0.53 H new ATOM 0 HB3 GLU A 105 -14.747 24.659 -24.569 1.00 0.53 H new ATOM 0 HG2 GLU A 105 -13.937 26.095 -26.147 1.00 33.31 H new ATOM 0 HG3 GLU A 105 -12.270 25.618 -25.892 1.00 33.31 H new ATOM 1681 N GLU A 106 -14.321 26.577 -22.617 1.00 3.24 N ATOM 1682 CA GLU A 106 -14.694 27.930 -22.225 1.00 34.35 C ATOM 1683 C GLU A 106 -13.694 28.500 -21.223 1.00 72.41 C ATOM 1684 O GLU A 106 -13.305 29.664 -21.313 1.00 23.03 O ATOM 1685 CB GLU A 106 -16.100 27.941 -21.621 1.00 21.44 C ATOM 1686 CG GLU A 106 -16.826 29.264 -21.793 1.00 25.00 C ATOM 1687 CD GLU A 106 -18.270 29.085 -22.223 1.00 12.04 C ATOM 1688 OE1 GLU A 106 -18.498 28.649 -23.371 1.00 62.23 O1- ATOM 1689 OE2 GLU A 106 -19.171 29.380 -21.409 1.00 1.42 O ATOM 0 H GLU A 106 -15.037 25.873 -22.437 1.00 3.24 H new ATOM 0 HA GLU A 106 -14.685 28.555 -23.118 1.00 34.35 H new ATOM 0 HB2 GLU A 106 -16.691 27.150 -22.082 1.00 21.44 H new ATOM 0 HB3 GLU A 106 -16.031 27.709 -20.558 1.00 21.44 H new ATOM 0 HG2 GLU A 106 -16.796 29.815 -20.853 1.00 25.00 H new ATOM 0 HG3 GLU A 106 -16.302 29.868 -22.534 1.00 25.00 H new ATOM 1696 N GLU A 107 -13.283 27.671 -20.269 1.00 52.02 N ATOM 1697 CA GLU A 107 -12.329 28.093 -19.249 1.00 50.21 C ATOM 1698 C GLU A 107 -11.029 28.574 -19.886 1.00 14.14 C ATOM 1699 O GLU A 107 -10.386 29.497 -19.388 1.00 23.40 O ATOM 1700 CB GLU A 107 -12.041 26.943 -18.281 1.00 50.14 C ATOM 1701 CG GLU A 107 -11.732 27.402 -16.866 1.00 75.03 C ATOM 1702 CD GLU A 107 -10.343 27.998 -16.736 1.00 65.20 C ATOM 1703 OE1 GLU A 107 -9.432 27.540 -17.456 1.00 51.32 O ATOM 1704 OE2 GLU A 107 -10.169 28.922 -15.914 1.00 54.21 O1- ATOM 0 H GLU A 107 -13.595 26.704 -20.181 1.00 52.02 H new ATOM 0 HA GLU A 107 -12.771 28.922 -18.696 1.00 50.21 H new ATOM 0 HB2 GLU A 107 -12.902 26.275 -18.257 1.00 50.14 H new ATOM 0 HB3 GLU A 107 -11.198 26.364 -18.658 1.00 50.14 H new ATOM 0 HG2 GLU A 107 -12.471 28.142 -16.559 1.00 75.03 H new ATOM 0 HG3 GLU A 107 -11.826 26.556 -16.185 1.00 75.03 H new ATOM 1711 N GLN A 108 -10.648 27.940 -20.991 1.00 2.40 N ATOM 1712 CA GLN A 108 -9.424 28.303 -21.696 1.00 12.15 C ATOM 1713 C GLN A 108 -9.561 29.669 -22.358 1.00 75.42 C ATOM 1714 O GLN A 108 -8.580 30.396 -22.513 1.00 25.12 O ATOM 1715 CB GLN A 108 -9.084 27.245 -22.748 1.00 64.44 C ATOM 1716 CG GLN A 108 -7.612 27.212 -23.124 1.00 34.52 C ATOM 1717 CD GLN A 108 -7.234 25.962 -23.895 1.00 44.33 C ATOM 1718 OE1 GLN A 108 -7.982 25.673 -24.955 1.00 15.12 O flip ATOM 1719 NE2 GLN A 108 -6.283 25.265 -23.544 1.00 53.41 N flip ATOM 0 H GLN A 108 -11.169 27.173 -21.417 1.00 2.40 H new ATOM 0 HA GLN A 108 -8.616 28.353 -20.966 1.00 12.15 H new ATOM 0 HB2 GLN A 108 -9.377 26.264 -22.373 1.00 64.44 H new ATOM 0 HB3 GLN A 108 -9.675 27.433 -23.644 1.00 64.44 H new ATOM 0 HG2 GLN A 108 -7.375 28.090 -23.724 1.00 34.52 H new ATOM 0 HG3 GLN A 108 -7.008 27.272 -22.218 1.00 34.52 H new ATOM 0 HE21 GLN A 108 -5.736 25.525 -22.723 1.00 53.41 H new ATOM 0 HE22 GLN A 108 -6.042 24.427 -24.074 1.00 53.41 H new ATOM 1728 N ASN A 109 -10.785 30.014 -22.745 1.00 5.34 N ATOM 1729 CA ASN A 109 -11.050 31.294 -23.391 1.00 64.11 C ATOM 1730 C ASN A 109 -10.522 32.449 -22.546 1.00 43.52 C ATOM 1731 O ASN A 109 -9.928 33.394 -23.067 1.00 4.52 O ATOM 1732 CB ASN A 109 -12.552 31.467 -23.631 1.00 73.10 C ATOM 1733 CG ASN A 109 -12.850 32.183 -24.934 1.00 23.32 C ATOM 1734 OD1 ASN A 109 -12.675 31.623 -26.017 1.00 74.14 O ATOM 1735 ND2 ASN A 109 -13.305 33.426 -24.835 1.00 65.43 N ATOM 0 H ASN A 109 -11.609 29.425 -22.622 1.00 5.34 H new ATOM 0 HA ASN A 109 -10.533 31.303 -24.350 1.00 64.11 H new ATOM 0 HB2 ASN A 109 -13.031 30.488 -23.640 1.00 73.10 H new ATOM 0 HB3 ASN A 109 -12.987 32.027 -22.804 1.00 73.10 H new ATOM 0 HD21 ASN A 109 -13.525 33.957 -25.678 1.00 65.43 H new ATOM 0 HD22 ASN A 109 -13.435 33.850 -23.916 1.00 65.43 H new ATOM 1742 N LYS A 110 -10.741 32.367 -21.239 1.00 72.13 N ATOM 1743 CA LYS A 110 -10.286 33.404 -20.319 1.00 43.50 C ATOM 1744 C LYS A 110 -8.787 33.640 -20.464 1.00 41.51 C ATOM 1745 O LYS A 110 -8.291 34.734 -20.194 1.00 23.21 O ATOM 1746 CB LYS A 110 -10.615 33.015 -18.877 1.00 32.20 C ATOM 1747 CG LYS A 110 -10.884 34.206 -17.972 1.00 11.44 C ATOM 1748 CD LYS A 110 -12.359 34.319 -17.624 1.00 11.20 C ATOM 1749 CE LYS A 110 -12.601 35.384 -16.565 1.00 72.23 C ATOM 1750 NZ LYS A 110 -12.943 34.786 -15.246 1.00 33.42 N1+ ATOM 0 H LYS A 110 -11.231 31.593 -20.791 1.00 72.13 H new ATOM 0 HA LYS A 110 -10.807 34.329 -20.567 1.00 43.50 H new ATOM 0 HB2 LYS A 110 -11.489 32.364 -18.876 1.00 32.20 H new ATOM 0 HB3 LYS A 110 -9.786 32.438 -18.467 1.00 32.20 H new ATOM 0 HG2 LYS A 110 -10.300 34.108 -17.057 1.00 11.44 H new ATOM 0 HG3 LYS A 110 -10.554 35.121 -18.465 1.00 11.44 H new ATOM 0 HD2 LYS A 110 -12.928 34.561 -18.522 1.00 11.20 H new ATOM 0 HD3 LYS A 110 -12.724 33.357 -17.264 1.00 11.20 H new ATOM 0 HE2 LYS A 110 -11.710 36.004 -16.463 1.00 72.23 H new ATOM 0 HE3 LYS A 110 -13.410 36.040 -16.887 1.00 72.23 H new ATOM 0 HZ1 LYS A 110 -13.100 35.544 -14.552 1.00 33.42 H new ATOM 0 HZ2 LYS A 110 -13.807 34.215 -15.337 1.00 33.42 H new ATOM 0 HZ3 LYS A 110 -12.160 34.180 -14.926 1.00 33.42 H new ATOM 1764 N SER A 111 -8.068 32.608 -20.895 1.00 3.33 N ATOM 1765 CA SER A 111 -6.624 32.702 -21.074 1.00 44.22 C ATOM 1766 C SER A 111 -6.282 33.189 -22.479 1.00 52.32 C ATOM 1767 O SER A 111 -5.376 34.002 -22.665 1.00 74.34 O ATOM 1768 CB SER A 111 -5.968 31.345 -20.819 1.00 73.51 C ATOM 1769 OG SER A 111 -4.855 31.147 -21.674 1.00 63.31 O ATOM 0 H SER A 111 -8.463 31.696 -21.127 1.00 3.33 H new ATOM 0 HA SER A 111 -6.239 33.424 -20.354 1.00 44.22 H new ATOM 0 HB2 SER A 111 -5.647 31.282 -19.779 1.00 73.51 H new ATOM 0 HB3 SER A 111 -6.697 30.550 -20.976 1.00 73.51 H new ATOM 0 HG SER A 111 -4.452 30.273 -21.490 1.00 63.31 H new ATOM 1775 N LYS A 112 -7.013 32.685 -23.467 1.00 0.22 N ATOM 1776 CA LYS A 112 -6.790 33.066 -24.857 1.00 52.53 C ATOM 1777 C LYS A 112 -6.824 34.583 -25.017 1.00 51.01 C ATOM 1778 O LYS A 112 -6.134 35.145 -25.868 1.00 22.34 O ATOM 1779 CB LYS A 112 -7.845 32.424 -25.760 1.00 15.24 C ATOM 1780 CG LYS A 112 -7.628 30.938 -25.987 1.00 11.24 C ATOM 1781 CD LYS A 112 -6.936 30.672 -27.314 1.00 63.31 C ATOM 1782 CE LYS A 112 -7.106 29.224 -27.751 1.00 62.54 C ATOM 1783 NZ LYS A 112 -7.069 29.084 -29.232 1.00 15.11 N1+ ATOM 0 H LYS A 112 -7.766 32.011 -23.331 1.00 0.22 H new ATOM 0 HA LYS A 112 -5.803 32.708 -25.151 1.00 52.53 H new ATOM 0 HB2 LYS A 112 -8.830 32.576 -25.318 1.00 15.24 H new ATOM 0 HB3 LYS A 112 -7.846 32.934 -26.723 1.00 15.24 H new ATOM 0 HG2 LYS A 112 -7.028 30.529 -25.174 1.00 11.24 H new ATOM 0 HG3 LYS A 112 -8.588 30.422 -25.966 1.00 11.24 H new ATOM 0 HD2 LYS A 112 -7.344 31.334 -28.078 1.00 63.31 H new ATOM 0 HD3 LYS A 112 -5.875 30.904 -27.225 1.00 63.31 H new ATOM 0 HE2 LYS A 112 -6.317 28.616 -27.309 1.00 62.54 H new ATOM 0 HE3 LYS A 112 -8.053 28.840 -27.373 1.00 62.54 H new ATOM 0 HZ1 LYS A 112 -7.188 28.083 -29.489 1.00 15.11 H new ATOM 0 HZ2 LYS A 112 -7.838 29.644 -29.653 1.00 15.11 H new ATOM 0 HZ3 LYS A 112 -6.155 29.427 -29.590 1.00 15.11 H new ATOM 1797 N LYS A 113 -7.632 35.242 -24.192 1.00 13.14 N ATOM 1798 CA LYS A 113 -7.754 36.694 -24.239 1.00 21.30 C ATOM 1799 C LYS A 113 -6.734 37.356 -23.318 1.00 41.43 C ATOM 1800 O LYS A 113 -6.322 38.494 -23.548 1.00 53.10 O ATOM 1801 CB LYS A 113 -9.169 37.120 -23.839 1.00 63.10 C ATOM 1802 CG LYS A 113 -9.578 36.646 -22.454 1.00 43.51 C ATOM 1803 CD LYS A 113 -9.853 37.815 -21.524 1.00 51.15 C ATOM 1804 CE LYS A 113 -10.400 37.344 -20.185 1.00 51.24 C ATOM 1805 NZ LYS A 113 -9.934 38.205 -19.061 1.00 1.45 N1+ ATOM 0 H LYS A 113 -8.212 34.793 -23.483 1.00 13.14 H new ATOM 0 HA LYS A 113 -7.558 37.017 -25.261 1.00 21.30 H new ATOM 0 HB2 LYS A 113 -9.236 38.207 -23.876 1.00 63.10 H new ATOM 0 HB3 LYS A 113 -9.877 36.731 -24.571 1.00 63.10 H new ATOM 0 HG2 LYS A 113 -10.469 36.023 -22.530 1.00 43.51 H new ATOM 0 HG3 LYS A 113 -8.788 36.023 -22.034 1.00 43.51 H new ATOM 0 HD2 LYS A 113 -8.934 38.379 -21.365 1.00 51.15 H new ATOM 0 HD3 LYS A 113 -10.566 38.494 -21.992 1.00 51.15 H new ATOM 0 HE2 LYS A 113 -11.490 37.346 -20.217 1.00 51.24 H new ATOM 0 HE3 LYS A 113 -10.089 36.315 -20.007 1.00 51.24 H new ATOM 0 HZ1 LYS A 113 -10.315 37.841 -18.164 1.00 1.45 H new ATOM 0 HZ2 LYS A 113 -8.895 38.196 -19.025 1.00 1.45 H new ATOM 0 HZ3 LYS A 113 -10.267 39.179 -19.209 1.00 1.45 H new ATOM 1819 N LYS A 114 -6.328 36.638 -22.277 1.00 2.54 N ATOM 1820 CA LYS A 114 -5.353 37.153 -21.324 1.00 55.24 C ATOM 1821 C LYS A 114 -3.950 36.660 -21.660 1.00 52.44 C ATOM 1822 O LYS A 114 -3.104 36.517 -20.777 1.00 1.43 O ATOM 1823 CB LYS A 114 -5.727 36.731 -19.901 1.00 11.22 C ATOM 1824 CG LYS A 114 -5.192 37.665 -18.829 1.00 65.15 C ATOM 1825 CD LYS A 114 -6.070 37.649 -17.589 1.00 33.43 C ATOM 1826 CE LYS A 114 -5.765 38.826 -16.675 1.00 32.21 C ATOM 1827 NZ LYS A 114 -5.787 38.434 -15.239 1.00 21.35 N1+ ATOM 0 H LYS A 114 -6.660 35.696 -22.072 1.00 2.54 H new ATOM 0 HA LYS A 114 -5.361 38.241 -21.387 1.00 55.24 H new ATOM 0 HB2 LYS A 114 -6.813 36.682 -19.819 1.00 11.22 H new ATOM 0 HB3 LYS A 114 -5.348 35.726 -19.718 1.00 11.22 H new ATOM 0 HG2 LYS A 114 -4.177 37.370 -18.562 1.00 65.15 H new ATOM 0 HG3 LYS A 114 -5.136 38.680 -19.224 1.00 65.15 H new ATOM 0 HD2 LYS A 114 -7.119 37.678 -17.884 1.00 33.43 H new ATOM 0 HD3 LYS A 114 -5.918 36.716 -17.046 1.00 33.43 H new ATOM 0 HE2 LYS A 114 -4.786 39.235 -16.925 1.00 32.21 H new ATOM 0 HE3 LYS A 114 -6.495 39.617 -16.847 1.00 32.21 H new ATOM 0 HZ1 LYS A 114 -5.574 39.264 -14.649 1.00 21.35 H new ATOM 0 HZ2 LYS A 114 -6.729 38.067 -14.994 1.00 21.35 H new ATOM 0 HZ3 LYS A 114 -5.073 37.697 -15.069 1.00 21.35 H new ATOM 1841 N ALA A 115 -3.708 36.405 -22.941 1.00 42.50 N ATOM 1842 CA ALA A 115 -2.406 35.932 -23.394 1.00 33.34 C ATOM 1843 C ALA A 115 -2.051 36.517 -24.757 1.00 63.52 C ATOM 1844 O ALA A 115 -1.292 35.921 -25.519 1.00 52.44 O ATOM 1845 CB ALA A 115 -2.388 34.411 -23.450 1.00 13.43 C ATOM 0 H ALA A 115 -4.397 36.518 -23.684 1.00 42.50 H new ATOM 0 HA ALA A 115 -1.656 36.268 -22.678 1.00 33.34 H new ATOM 0 HB1 ALA A 115 -1.410 34.071 -23.790 1.00 13.43 H new ATOM 0 HB2 ALA A 115 -2.587 34.008 -22.457 1.00 13.43 H new ATOM 0 HB3 ALA A 115 -3.154 34.063 -24.143 1.00 13.43 H new ATOM 1851 N GLN A 116 -2.607 37.687 -25.055 1.00 21.31 N ATOM 1852 CA GLN A 116 -2.349 38.352 -26.326 1.00 4.20 C ATOM 1853 C GLN A 116 -1.788 39.753 -26.105 1.00 32.05 C ATOM 1854 O GLN A 116 -0.615 40.010 -26.376 1.00 43.43 O ATOM 1855 CB GLN A 116 -3.633 38.431 -27.154 1.00 24.53 C ATOM 1856 CG GLN A 116 -4.008 37.117 -27.821 1.00 1.34 C ATOM 1857 CD GLN A 116 -5.276 37.222 -28.646 1.00 33.13 C ATOM 1858 OE1 GLN A 116 -5.286 36.898 -29.834 1.00 75.40 O ATOM 1859 NE2 GLN A 116 -6.355 37.677 -28.019 1.00 13.23 N ATOM 0 H GLN A 116 -3.238 38.193 -24.434 1.00 21.31 H new ATOM 0 HA GLN A 116 -1.608 37.765 -26.869 1.00 4.20 H new ATOM 0 HB2 GLN A 116 -4.452 38.749 -26.509 1.00 24.53 H new ATOM 0 HB3 GLN A 116 -3.515 39.197 -27.920 1.00 24.53 H new ATOM 0 HG2 GLN A 116 -3.188 36.792 -28.462 1.00 1.34 H new ATOM 0 HG3 GLN A 116 -4.139 36.350 -27.057 1.00 1.34 H new ATOM 0 HE21 GLN A 116 -6.302 37.934 -27.033 1.00 13.23 H new ATOM 0 HE22 GLN A 116 -7.237 37.769 -28.523 1.00 13.23 H new ATOM 1868 N GLN A 117 -2.631 40.653 -25.611 1.00 22.41 N ATOM 1869 CA GLN A 117 -2.218 42.026 -25.354 1.00 62.34 C ATOM 1870 C GLN A 117 -1.580 42.644 -26.593 1.00 11.44 C ATOM 1871 O GLN A 117 -0.658 43.454 -26.492 1.00 25.50 O ATOM 1872 CB GLN A 117 -1.235 42.075 -24.182 1.00 61.13 C ATOM 1873 CG GLN A 117 -1.448 43.264 -23.258 1.00 42.53 C ATOM 1874 CD GLN A 117 -0.825 44.538 -23.793 1.00 33.04 C ATOM 1875 OE1 GLN A 117 -1.494 45.563 -23.925 1.00 10.41 O ATOM 1876 NE2 GLN A 117 0.464 44.481 -24.105 1.00 15.24 N ATOM 0 H GLN A 117 -3.605 40.455 -25.381 1.00 22.41 H new ATOM 0 HA GLN A 117 -3.106 42.603 -25.099 1.00 62.34 H new ATOM 0 HB2 GLN A 117 -1.326 41.155 -23.604 1.00 61.13 H new ATOM 0 HB3 GLN A 117 -0.218 42.107 -24.573 1.00 61.13 H new ATOM 0 HG2 GLN A 117 -2.517 43.420 -23.113 1.00 42.53 H new ATOM 0 HG3 GLN A 117 -1.023 43.040 -22.280 1.00 42.53 H new ATOM 0 HE21 GLN A 117 0.981 43.611 -23.980 1.00 15.24 H new ATOM 0 HE22 GLN A 117 0.937 45.308 -24.470 1.00 15.24 H new ATOM 1885 N ALA A 118 -2.077 42.256 -27.764 1.00 75.54 N ATOM 1886 CA ALA A 118 -1.556 42.773 -29.023 1.00 5.34 C ATOM 1887 C ALA A 118 -2.353 42.236 -30.208 1.00 11.10 C ATOM 1888 O ALA A 118 -2.697 42.981 -31.125 1.00 13.43 O ATOM 1889 CB ALA A 118 -0.084 42.419 -29.171 1.00 23.11 C ATOM 0 H ALA A 118 -2.839 41.586 -27.866 1.00 75.54 H new ATOM 0 HA ALA A 118 -1.657 43.858 -29.011 1.00 5.34 H new ATOM 0 HB1 ALA A 118 0.291 42.812 -30.116 1.00 23.11 H new ATOM 0 HB2 ALA A 118 0.480 42.856 -28.347 1.00 23.11 H new ATOM 0 HB3 ALA A 118 0.033 41.335 -29.156 1.00 23.11 H new ATOM 1895 N ALA A 119 -2.642 40.939 -30.181 1.00 44.00 N ATOM 1896 CA ALA A 119 -3.399 40.304 -31.252 1.00 24.15 C ATOM 1897 C ALA A 119 -4.877 40.195 -30.891 1.00 34.20 C ATOM 1898 O ALA A 119 -5.577 39.300 -31.363 1.00 2.33 O ATOM 1899 CB ALA A 119 -2.826 38.928 -31.559 1.00 65.32 C ATOM 0 H ALA A 119 -2.363 40.308 -29.429 1.00 44.00 H new ATOM 0 HA ALA A 119 -3.315 40.928 -32.142 1.00 24.15 H new ATOM 0 HB1 ALA A 119 -3.401 38.465 -32.361 1.00 65.32 H new ATOM 0 HB2 ALA A 119 -1.786 39.028 -31.869 1.00 65.32 H new ATOM 0 HB3 ALA A 119 -2.880 38.304 -30.667 1.00 65.32 H new ATOM 1905 N ALA A 120 -5.344 41.112 -30.050 1.00 11.23 N ATOM 1906 CA ALA A 120 -6.739 41.120 -29.626 1.00 1.11 C ATOM 1907 C ALA A 120 -7.494 42.293 -30.243 1.00 75.41 C ATOM 1908 O ALA A 120 -8.704 42.223 -30.454 1.00 72.11 O ATOM 1909 CB ALA A 120 -6.829 41.171 -28.109 1.00 33.24 C ATOM 0 H ALA A 120 -4.777 41.859 -29.649 1.00 11.23 H new ATOM 0 HA ALA A 120 -7.204 40.198 -29.976 1.00 1.11 H new ATOM 0 HB1 ALA A 120 -7.876 41.176 -27.807 1.00 33.24 H new ATOM 0 HB2 ALA A 120 -6.334 40.297 -27.686 1.00 33.24 H new ATOM 0 HB3 ALA A 120 -6.342 42.076 -27.746 1.00 33.24 H new ATOM 1915 N ASP A 121 -6.770 43.371 -30.528 1.00 4.21 N ATOM 1916 CA ASP A 121 -7.372 44.560 -31.121 1.00 0.11 C ATOM 1917 C ASP A 121 -7.752 44.309 -32.577 1.00 74.21 C ATOM 1918 O ASP A 121 -8.784 44.782 -33.052 1.00 52.22 O ATOM 1919 CB ASP A 121 -6.409 45.744 -31.029 1.00 51.14 C ATOM 1920 CG ASP A 121 -7.126 47.056 -30.776 1.00 22.23 C ATOM 1921 OD1 ASP A 121 -8.119 47.334 -31.480 1.00 2.23 O1- ATOM 1922 OD2 ASP A 121 -6.695 47.804 -29.873 1.00 3.33 O ATOM 0 H ASP A 121 -5.767 43.446 -30.358 1.00 4.21 H new ATOM 0 HA ASP A 121 -8.279 44.795 -30.564 1.00 0.11 H new ATOM 0 HB2 ASP A 121 -5.693 45.564 -30.227 1.00 51.14 H new ATOM 0 HB3 ASP A 121 -5.839 45.818 -31.955 1.00 51.14 H new ATOM 1927 N THR A 122 -6.909 43.560 -33.282 1.00 34.11 N ATOM 1928 CA THR A 122 -7.153 43.248 -34.684 1.00 24.02 C ATOM 1929 C THR A 122 -8.327 42.286 -34.837 1.00 13.32 C ATOM 1930 O THR A 122 -8.648 41.535 -33.918 1.00 21.42 O ATOM 1931 CB THR A 122 -5.909 42.630 -35.349 1.00 71.22 C ATOM 1932 OG1 THR A 122 -5.053 42.062 -34.352 1.00 35.52 O ATOM 1933 CG2 THR A 122 -5.144 43.678 -36.144 1.00 34.05 C ATOM 0 H THR A 122 -6.051 43.158 -32.904 1.00 34.11 H new ATOM 0 HA THR A 122 -7.390 44.190 -35.179 1.00 24.02 H new ATOM 0 HB THR A 122 -6.239 41.848 -36.032 1.00 71.22 H new ATOM 0 HG1 THR A 122 -4.265 41.669 -34.783 1.00 35.52 H new ATOM 0 HG21 THR A 122 -4.270 43.218 -36.605 1.00 34.05 H new ATOM 0 HG22 THR A 122 -5.790 44.089 -36.920 1.00 34.05 H new ATOM 0 HG23 THR A 122 -4.824 44.479 -35.477 1.00 34.05 H new ATOM 1941 N GLY A 123 -8.963 42.316 -36.004 1.00 11.14 N ATOM 1942 CA GLY A 123 -10.093 41.441 -36.255 1.00 51.50 C ATOM 1943 C GLY A 123 -9.737 39.976 -36.102 1.00 4.45 C ATOM 1944 O GLY A 123 -8.750 39.508 -36.668 1.00 73.31 O ATOM 0 H GLY A 123 -8.716 42.930 -36.780 1.00 11.14 H new ATOM 0 HA2 GLY A 123 -10.901 41.689 -35.566 1.00 51.50 H new ATOM 0 HA3 GLY A 123 -10.468 41.617 -37.263 1.00 51.50 H new ATOM 1948 N ASN A 124 -10.543 39.249 -35.336 1.00 61.23 N ATOM 1949 CA ASN A 124 -10.307 37.828 -35.109 1.00 20.20 C ATOM 1950 C ASN A 124 -11.622 37.055 -35.078 1.00 44.30 C ATOM 1951 O ASN A 124 -12.607 37.511 -34.500 1.00 24.00 O ATOM 1952 CB ASN A 124 -9.549 37.619 -33.796 1.00 71.32 C ATOM 1953 CG ASN A 124 -10.153 38.404 -32.648 1.00 43.05 C ATOM 1954 OD1 ASN A 124 -11.028 37.759 -31.885 1.00 74.03 O flip ATOM 1955 ND2 ASN A 124 -9.838 39.578 -32.450 1.00 41.30 N flip ATOM 0 H ASN A 124 -11.366 39.621 -34.862 1.00 61.23 H new ATOM 0 HA ASN A 124 -9.704 37.450 -35.934 1.00 20.20 H new ATOM 0 HB2 ASN A 124 -9.547 36.558 -33.546 1.00 71.32 H new ATOM 0 HB3 ASN A 124 -8.509 37.917 -33.929 1.00 71.32 H new ATOM 0 HD21 ASN A 124 -9.161 40.035 -33.061 1.00 41.30 H new ATOM 0 HD22 ASN A 124 -10.254 40.094 -31.675 1.00 41.30 H new ATOM 1962 N ASN A 125 -11.628 35.883 -35.705 1.00 71.12 N ATOM 1963 CA ASN A 125 -12.822 35.047 -35.750 1.00 71.51 C ATOM 1964 C ASN A 125 -13.241 34.621 -34.345 1.00 13.42 C ATOM 1965 O ASN A 125 -12.405 34.249 -33.523 1.00 12.25 O ATOM 1966 CB ASN A 125 -12.572 33.811 -36.616 1.00 33.53 C ATOM 1967 CG ASN A 125 -13.785 32.904 -36.693 1.00 24.11 C ATOM 1968 OD1 ASN A 125 -14.918 33.346 -36.495 1.00 34.34 O ATOM 1969 ND2 ASN A 125 -13.553 31.629 -36.984 1.00 44.43 N ATOM 0 H ASN A 125 -10.820 35.491 -36.189 1.00 71.12 H new ATOM 0 HA ASN A 125 -13.629 35.633 -36.189 1.00 71.51 H new ATOM 0 HB2 ASN A 125 -12.293 34.126 -37.621 1.00 33.53 H new ATOM 0 HB3 ASN A 125 -11.729 33.252 -36.211 1.00 33.53 H new ATOM 0 HD21 ASN A 125 -14.330 30.972 -37.051 1.00 44.43 H new ATOM 0 HD22 ASN A 125 -12.598 31.307 -37.140 1.00 44.43 H new ATOM 1976 N SER A 126 -14.541 34.679 -34.079 1.00 63.43 N ATOM 1977 CA SER A 126 -15.072 34.304 -32.774 1.00 61.41 C ATOM 1978 C SER A 126 -16.312 33.427 -32.923 1.00 35.13 C ATOM 1979 O SER A 126 -16.697 33.063 -34.034 1.00 1.31 O ATOM 1980 CB SER A 126 -15.413 35.553 -31.959 1.00 55.10 C ATOM 1981 OG SER A 126 -16.768 35.925 -32.140 1.00 71.45 O ATOM 0 H SER A 126 -15.247 34.982 -34.750 1.00 63.43 H new ATOM 0 HA SER A 126 -14.306 33.734 -32.249 1.00 61.41 H new ATOM 0 HB2 SER A 126 -15.222 35.365 -30.902 1.00 55.10 H new ATOM 0 HB3 SER A 126 -14.764 36.375 -32.259 1.00 55.10 H new ATOM 0 HG SER A 126 -16.962 36.725 -31.608 1.00 71.45 H new ATOM 1987 N GLN A 127 -16.931 33.091 -31.796 1.00 11.13 N ATOM 1988 CA GLN A 127 -18.127 32.256 -31.801 1.00 53.10 C ATOM 1989 C GLN A 127 -19.387 33.111 -31.857 1.00 43.52 C ATOM 1990 O GLN A 127 -19.318 34.328 -32.028 1.00 55.42 O ATOM 1991 CB GLN A 127 -18.156 31.364 -30.558 1.00 0.31 C ATOM 1992 CG GLN A 127 -16.904 30.521 -30.385 1.00 30.04 C ATOM 1993 CD GLN A 127 -17.194 29.033 -30.403 1.00 70.41 C ATOM 1994 OE1 GLN A 127 -17.825 28.524 -31.329 1.00 33.44 O ATOM 1995 NE2 GLN A 127 -16.734 28.327 -29.377 1.00 61.42 N ATOM 0 H GLN A 127 -16.625 33.384 -30.868 1.00 11.13 H new ATOM 0 HA GLN A 127 -18.097 31.627 -32.691 1.00 53.10 H new ATOM 0 HB2 GLN A 127 -18.288 31.990 -29.675 1.00 0.31 H new ATOM 0 HB3 GLN A 127 -19.023 30.705 -30.614 1.00 0.31 H new ATOM 0 HG2 GLN A 127 -16.198 30.759 -31.180 1.00 30.04 H new ATOM 0 HG3 GLN A 127 -16.423 30.782 -29.443 1.00 30.04 H new ATOM 0 HE21 GLN A 127 -16.215 28.790 -28.631 1.00 61.42 H new ATOM 0 HE22 GLN A 127 -16.899 27.321 -29.335 1.00 61.42 H new ATOM 2004 N VAL A 128 -20.542 32.466 -31.714 1.00 54.42 N ATOM 2005 CA VAL A 128 -21.819 33.169 -31.748 1.00 32.14 C ATOM 2006 C VAL A 128 -22.161 33.753 -30.382 1.00 4.42 C ATOM 2007 O VAL A 128 -21.836 33.170 -29.348 1.00 52.14 O ATOM 2008 CB VAL A 128 -22.959 32.236 -32.197 1.00 62.10 C ATOM 2009 CG1 VAL A 128 -23.193 31.142 -31.165 1.00 14.54 C ATOM 2010 CG2 VAL A 128 -24.234 33.032 -32.438 1.00 11.33 C ATOM 0 H VAL A 128 -20.619 31.459 -31.574 1.00 54.42 H new ATOM 0 HA VAL A 128 -21.717 33.979 -32.470 1.00 32.14 H new ATOM 0 HB VAL A 128 -22.669 31.762 -33.135 1.00 62.10 H new ATOM 0 HG11 VAL A 128 -24.002 30.493 -31.500 1.00 14.54 H new ATOM 0 HG12 VAL A 128 -22.283 30.555 -31.045 1.00 14.54 H new ATOM 0 HG13 VAL A 128 -23.462 31.594 -30.210 1.00 14.54 H new ATOM 0 HG21 VAL A 128 -25.030 32.358 -32.755 1.00 11.33 H new ATOM 0 HG22 VAL A 128 -24.529 33.534 -31.517 1.00 11.33 H new ATOM 0 HG23 VAL A 128 -24.057 33.775 -33.216 1.00 11.33 H new ATOM 2020 N SER A 129 -22.822 34.906 -30.387 1.00 74.01 N ATOM 2021 CA SER A 129 -23.207 35.571 -29.148 1.00 54.20 C ATOM 2022 C SER A 129 -24.573 35.086 -28.671 1.00 13.23 C ATOM 2023 O SER A 129 -25.354 34.539 -29.450 1.00 12.12 O ATOM 2024 CB SER A 129 -23.232 37.088 -29.345 1.00 4.11 C ATOM 2025 OG SER A 129 -23.975 37.440 -30.500 1.00 13.34 O ATOM 0 H SER A 129 -23.102 35.399 -31.235 1.00 74.01 H new ATOM 0 HA SER A 129 -22.467 35.322 -28.387 1.00 54.20 H new ATOM 0 HB2 SER A 129 -23.670 37.565 -28.468 1.00 4.11 H new ATOM 0 HB3 SER A 129 -22.213 37.463 -29.436 1.00 4.11 H new ATOM 0 HG SER A 129 -23.977 38.415 -30.603 1.00 13.34 H new ATOM 2031 N GLN A 130 -24.852 35.289 -27.388 1.00 15.31 N ATOM 2032 CA GLN A 130 -26.122 34.871 -26.808 1.00 63.44 C ATOM 2033 C GLN A 130 -27.254 35.790 -27.256 1.00 73.01 C ATOM 2034 O GLN A 130 -27.035 36.738 -28.010 1.00 60.41 O ATOM 2035 CB GLN A 130 -26.031 34.863 -25.281 1.00 22.32 C ATOM 2036 CG GLN A 130 -25.947 36.252 -24.668 1.00 24.23 C ATOM 2037 CD GLN A 130 -25.193 36.265 -23.353 1.00 30.32 C ATOM 2038 OE1 GLN A 130 -24.068 35.773 -23.264 1.00 24.15 O ATOM 2039 NE2 GLN A 130 -25.812 36.829 -22.322 1.00 74.11 N ATOM 0 H GLN A 130 -24.216 35.740 -26.731 1.00 15.31 H new ATOM 0 HA GLN A 130 -26.338 33.861 -27.158 1.00 63.44 H new ATOM 0 HB2 GLN A 130 -26.903 34.349 -24.876 1.00 22.32 H new ATOM 0 HB3 GLN A 130 -25.154 34.289 -24.981 1.00 22.32 H new ATOM 0 HG2 GLN A 130 -25.456 36.926 -25.370 1.00 24.23 H new ATOM 0 HG3 GLN A 130 -26.955 36.636 -24.509 1.00 24.23 H new ATOM 0 HE21 GLN A 130 -26.745 37.225 -22.441 1.00 74.11 H new ATOM 0 HE22 GLN A 130 -25.355 36.867 -21.411 1.00 74.11 H new ATOM 2048 N ASN A 131 -28.464 35.502 -26.788 1.00 64.30 N ATOM 2049 CA ASN A 131 -29.631 36.303 -27.142 1.00 2.52 C ATOM 2050 C ASN A 131 -29.887 36.256 -28.646 1.00 62.32 C ATOM 2051 O ASN A 131 -29.045 35.794 -29.416 1.00 75.43 O ATOM 2052 CB ASN A 131 -29.437 37.752 -26.692 1.00 33.34 C ATOM 2053 CG ASN A 131 -30.624 38.277 -25.907 1.00 31.41 C ATOM 2054 OD1 ASN A 131 -31.428 39.053 -26.422 1.00 45.42 O ATOM 2055 ND2 ASN A 131 -30.737 37.855 -24.653 1.00 63.41 N ATOM 0 H ASN A 131 -28.662 34.721 -26.163 1.00 64.30 H new ATOM 0 HA ASN A 131 -30.497 35.884 -26.630 1.00 2.52 H new ATOM 0 HB2 ASN A 131 -28.539 37.822 -26.078 1.00 33.34 H new ATOM 0 HB3 ASN A 131 -29.275 38.383 -27.566 1.00 33.34 H new ATOM 0 HD21 ASN A 131 -31.515 38.175 -24.075 1.00 63.41 H new ATOM 0 HD22 ASN A 131 -30.046 37.211 -24.267 1.00 63.41 H new ATOM 2062 N TYR A 132 -31.054 36.738 -29.056 1.00 5.30 N ATOM 2063 CA TYR A 132 -31.423 36.750 -30.467 1.00 21.24 C ATOM 2064 C TYR A 132 -32.757 37.459 -30.676 1.00 52.31 C ATOM 2065 O TYR A 132 -33.491 37.662 -29.709 1.00 53.33 O ATOM 2066 CB TYR A 132 -31.502 35.320 -31.007 1.00 61.43 C ATOM 2067 CG TYR A 132 -32.286 34.381 -30.118 1.00 3.43 C ATOM 2068 CD1 TYR A 132 -33.658 34.529 -29.955 1.00 52.43 C ATOM 2069 CD2 TYR A 132 -31.654 33.345 -29.441 1.00 1.42 C ATOM 2070 CE1 TYR A 132 -34.377 33.673 -29.144 1.00 2.21 C ATOM 2071 CE2 TYR A 132 -32.366 32.484 -28.630 1.00 34.35 C ATOM 2072 CZ TYR A 132 -33.727 32.651 -28.484 1.00 50.22 C ATOM 2073 OH TYR A 132 -34.439 31.796 -27.675 1.00 71.13 O ATOM 0 H TYR A 132 -31.761 37.126 -28.432 1.00 5.30 H new ATOM 0 HA TYR A 132 -30.653 37.296 -31.013 1.00 21.24 H new ATOM 0 HB2 TYR A 132 -31.960 35.338 -31.996 1.00 61.43 H new ATOM 0 HB3 TYR A 132 -30.491 34.931 -31.131 1.00 61.43 H new ATOM 0 HD1 TYR A 132 -34.171 35.327 -30.471 1.00 52.43 H new ATOM 0 HD2 TYR A 132 -30.588 33.211 -29.551 1.00 1.42 H new ATOM 0 HE1 TYR A 132 -35.443 33.803 -29.027 1.00 2.21 H new ATOM 0 HE2 TYR A 132 -31.859 31.683 -28.112 1.00 34.35 H new ATOM 0 HH TYR A 132 -33.832 31.132 -27.286 1.00 71.13 H new TER 2083 TYR A 132 HETATM 2084 O1 PC8 A 300 6.720 15.920 -25.231 1.00 74.32 O HETATM 2085 O2 PC8 A 300 6.194 17.455 -27.128 1.00 40.53 O HETATM 2086 P1 PC8 A 300 7.078 16.247 -26.613 1.00 22.21 P HETATM 2087 O3 PC8 A 300 8.617 16.654 -26.769 1.00 33.02 O HETATM 2088 C1 PC8 A 300 9.388 16.870 -25.570 1.00 63.52 C HETATM 2089 C2 PC8 A 300 9.179 18.268 -24.926 1.00 41.32 C HETATM 2090 N1 PC8 A 300 9.823 18.541 -23.572 1.00 34.42 N HETATM 2091 C3 PC8 A 300 9.316 17.606 -22.498 1.00 73.10 C HETATM 2092 C4 PC8 A 300 11.308 18.304 -23.727 1.00 21.24 C HETATM 2093 C5 PC8 A 300 9.603 19.968 -23.123 1.00 30.20 C HETATM 2094 O4 PC8 A 300 6.794 15.000 -27.579 1.00 22.14 O HETATM 2095 C6 PC8 A 300 5.613 14.204 -27.314 1.00 74.30 C HETATM 2096 C7 PC8 A 300 5.017 13.506 -28.573 1.00 50.20 C HETATM 2097 C8 PC8 A 300 5.985 12.514 -29.261 1.00 44.13 C HETATM 2098 O5 PC8 A 300 6.960 13.220 -30.036 1.00 41.10 O HETATM 2099 C9 PC8 A 300 8.244 12.831 -30.274 1.00 13.44 C HETATM 2100 O6 PC8 A 300 8.706 11.789 -29.748 1.00 45.23 O HETATM 2101 C10 PC8 A 300 9.063 13.699 -31.147 1.00 62.44 C HETATM 2102 C11 PC8 A 300 10.552 13.844 -30.731 1.00 34.11 C HETATM 2103 C12 PC8 A 300 11.429 14.427 -31.871 1.00 74.02 C HETATM 2104 C13 PC8 A 300 12.673 15.186 -31.338 1.00 42.44 C HETATM 2105 C14 PC8 A 300 13.381 16.014 -32.445 1.00 23.32 C HETATM 2106 C15 PC8 A 300 14.571 16.846 -31.899 1.00 52.43 C HETATM 2107 C16 PC8 A 300 15.724 16.976 -32.919 1.00 2.12 C HETATM 2108 O7 PC8 A 300 3.797 12.791 -28.304 1.00 74.31 O HETATM 2109 C17 PC8 A 300 2.567 13.304 -28.001 1.00 64.30 C HETATM 2110 O8 PC8 A 300 1.895 13.911 -28.870 1.00 54.20 O HETATM 2111 C18 PC8 A 300 2.047 13.092 -26.631 1.00 3.21 C HETATM 2112 C19 PC8 A 300 0.547 13.447 -26.425 1.00 3.41 C HETATM 2113 C20 PC8 A 300 -0.403 12.265 -26.763 1.00 2.25 C HETATM 2114 C21 PC8 A 300 -0.521 11.246 -25.598 1.00 74.52 C HETATM 2115 C22 PC8 A 300 -1.055 11.887 -24.288 1.00 13.15 C HETATM 2116 C23 PC8 A 300 -1.562 10.828 -23.274 1.00 23.40 C HETATM 2117 C24 PC8 A 300 -2.913 10.199 -23.685 1.00 62.34 C HETATM 0 H9 PC8 A 300 11.707 18.979 -24.484 1.00 21.24 H new HETATM 0 H8 PC8 A 300 11.807 18.490 -22.776 1.00 21.24 H new HETATM 0 H7 PC8 A 300 8.238 17.727 -22.390 1.00 73.10 H new HETATM 0 H6 PC8 A 300 9.540 16.576 -22.777 1.00 73.10 H new HETATM 0 H5 PC8 A 300 9.804 17.840 -21.552 1.00 73.10 H new HETATM 0 H48 PC8 A 300 -3.671 10.979 -23.756 1.00 62.34 H new HETATM 0 H47 PC8 A 300 -2.806 9.707 -24.652 1.00 62.34 H new HETATM 0 H46 PC8 A 300 -3.216 9.466 -22.937 1.00 62.34 H new HETATM 0 H45 PC8 A 300 -0.815 10.040 -23.176 1.00 23.40 H new HETATM 0 H44 PC8 A 300 -1.667 11.292 -22.293 1.00 23.40 H new HETATM 0 H43 PC8 A 300 -0.263 12.477 -23.827 1.00 13.15 H new HETATM 0 H42 PC8 A 300 -1.867 12.574 -24.528 1.00 13.15 H new HETATM 0 H41 PC8 A 300 -1.185 10.435 -25.897 1.00 74.52 H new HETATM 0 H40 PC8 A 300 0.457 10.804 -25.408 1.00 74.52 H new HETATM 0 H4 PC8 A 300 9.549 19.016 -25.627 1.00 41.32 H new HETATM 0 H39 PC8 A 300 -1.392 12.655 -27.002 1.00 2.25 H new HETATM 0 H38 PC8 A 300 -0.038 11.753 -27.654 1.00 2.25 H new HETATM 0 H37 PC8 A 300 0.389 13.750 -25.390 1.00 3.41 H new HETATM 0 H36 PC8 A 300 0.292 14.303 -27.050 1.00 3.41 H new HETATM 0 H35 PC8 A 300 2.196 12.046 -26.362 1.00 3.21 H new HETATM 0 H34 PC8 A 300 2.642 13.687 -25.938 1.00 3.21 H new HETATM 0 H33 PC8 A 300 16.099 15.984 -33.173 1.00 2.12 H new HETATM 0 H32 PC8 A 300 15.359 17.468 -33.821 1.00 2.12 H new HETATM 0 H31 PC8 A 300 16.530 17.568 -32.484 1.00 2.12 H new HETATM 0 H30 PC8 A 300 14.219 17.841 -31.626 1.00 52.43 H new HETATM 0 H3 PC8 A 300 8.106 18.430 -24.823 1.00 41.32 H new HETATM 0 H29 PC8 A 300 14.948 16.380 -30.988 1.00 52.43 H new HETATM 0 H28 PC8 A 300 13.740 15.341 -33.223 1.00 23.32 H new HETATM 0 H27 PC8 A 300 12.658 16.683 -32.911 1.00 23.32 H new HETATM 0 H26 PC8 A 300 12.371 15.850 -30.529 1.00 42.44 H new HETATM 0 H25 PC8 A 300 13.379 14.470 -30.916 1.00 42.44 H new HETATM 0 H24 PC8 A 300 11.754 13.617 -32.524 1.00 74.02 H new HETATM 0 H23 PC8 A 300 10.827 15.104 -32.477 1.00 74.02 H new HETATM 0 H22 PC8 A 300 10.621 14.490 -29.856 1.00 34.11 H new HETATM 0 H21 PC8 A 300 10.942 12.869 -30.439 1.00 34.11 H new HETATM 0 H20 PC8 A 300 9.023 13.305 -32.163 1.00 62.44 H new HETATM 0 H2 PC8 A 300 9.128 16.103 -24.840 1.00 63.52 H new HETATM 0 H19 PC8 A 300 8.612 14.691 -31.172 1.00 62.44 H new HETATM 0 H18 PC8 A 300 6.483 11.902 -28.509 1.00 44.13 H new HETATM 0 H17 PC8 A 300 5.424 11.835 -29.903 1.00 44.13 H new HETATM 0 H16 PC8 A 300 4.822 14.344 -29.242 1.00 50.20 H new HETATM 0 H15 PC8 A 300 5.860 13.443 -26.574 1.00 74.30 H new HETATM 0 H14 PC8 A 300 4.849 14.844 -26.871 1.00 74.30 H new HETATM 0 H13 PC8 A 300 10.039 20.650 -23.853 1.00 30.20 H new HETATM 0 H12 PC8 A 300 8.534 20.162 -23.038 1.00 30.20 H new HETATM 0 H11 PC8 A 300 10.077 20.122 -22.154 1.00 30.20 H new HETATM 0 H10 PC8 A 300 11.482 17.272 -24.033 1.00 21.24 H new HETATM 0 H1 PC8 A 300 10.445 16.743 -25.803 1.00 63.52 H new