USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 994 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 ASN : amide:sc= 0.496 K(o=0.78,f=-0.17) USER MOD Set 1.2: A 94 ASN : amide:sc= 0.286 K(o=0.78,f=-2.3!) USER MOD Set 2.1: A 13 THR OG1 : rot -77:sc= 0.175 USER MOD Set 2.2: A 18 THR OG1 : rot 180:sc= 0.168 USER MOD Set 3.1: A 4 LYS NZ :NH3+ -130:sc= 0.241 (180deg=-0.634) USER MOD Set 3.2: A 65 SER OG : rot 70:sc= 0.539 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0284 (180deg=-0.293) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00457 (180deg=-0.165) USER MOD Single : A 2 SER OG : rot 43:sc= 0.0978 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.785 F(o=-2!,f=-0.78) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00322) USER MOD Single : A 15 ASN :FLIP amide:sc= -1.66 F(o=-2.7!,f=-1.7) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 138:sc= -0.841 USER MOD Single : A 24 GLN : amide:sc= -0.775 X(o=-0.77,f=-1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.891) USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= 0.493 (180deg=0.263) USER MOD Single : A 38 LYS NZ :NH3+ -138:sc= -0.668 (180deg=-2.65!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 45 MET CE :methyl 154:sc= -0.825 (180deg=-3.52!) USER MOD Single : A 49 LYS NZ :NH3+ -120:sc= 0.0868 (180deg=-0.746) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -132:sc= 0.00265 (180deg=-1.82!) USER MOD Single : A 64 HIS : no HE2:sc= -0.277 X(o=-0.28,f=-0.65) USER MOD Single : A 71 LYS NZ :NH3+ -115:sc= 0.518 (180deg=-0.217) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= -0.0361 (180deg=-0.266) USER MOD Single : A 76 LYS NZ :NH3+ 142:sc= -1.07 (180deg=-2.83!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0244) USER MOD Single : A 90 TYR OH : rot -11:sc= 1.32 USER MOD Single : A 93 SER OG : rot -34:sc= 0.173 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -173:sc= -1.1 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 117 HIS : no HD1:sc=-0.00312 X(o=-0.0031,f=-0.31) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.572 -2.523 -1.420 1.00 50.24 N ATOM 2 CA MET A 1 22.695 -3.499 -0.742 1.00 62.13 C ATOM 3 C MET A 1 21.266 -3.406 -1.318 1.00 23.30 C ATOM 4 O MET A 1 20.430 -2.630 -0.831 1.00 24.23 O ATOM 5 CB MET A 1 22.710 -3.260 0.797 1.00 31.33 C ATOM 6 CG MET A 1 24.088 -3.427 1.463 1.00 61.21 C ATOM 7 SD MET A 1 24.705 -5.128 1.410 1.00 52.41 S ATOM 8 CE MET A 1 23.527 -5.994 2.463 1.00 44.13 C ATOM 0 H1 MET A 1 24.564 -2.723 -1.181 1.00 50.24 H new ATOM 0 H2 MET A 1 23.442 -2.596 -2.449 1.00 50.24 H new ATOM 0 H3 MET A 1 23.328 -1.561 -1.108 1.00 50.24 H new ATOM 0 HA MET A 1 23.067 -4.508 -0.922 1.00 62.13 H new ATOM 0 HB2 MET A 1 22.345 -2.253 0.998 1.00 31.33 H new ATOM 0 HB3 MET A 1 22.010 -3.952 1.265 1.00 31.33 H new ATOM 0 HG2 MET A 1 24.805 -2.772 0.968 1.00 61.21 H new ATOM 0 HG3 MET A 1 24.024 -3.103 2.502 1.00 61.21 H new ATOM 0 HE1 MET A 1 23.921 -6.978 2.718 1.00 44.13 H new ATOM 0 HE2 MET A 1 23.365 -5.421 3.376 1.00 44.13 H new ATOM 0 HE3 MET A 1 22.581 -6.108 1.934 1.00 44.13 H new ATOM 20 N SER A 2 21.027 -4.156 -2.405 1.00 34.22 N ATOM 21 CA SER A 2 19.702 -4.319 -3.016 1.00 53.14 C ATOM 22 C SER A 2 19.116 -5.672 -2.561 1.00 62.32 C ATOM 23 O SER A 2 19.518 -6.735 -3.052 1.00 34.24 O ATOM 24 CB SER A 2 19.820 -4.216 -4.564 1.00 71.14 C ATOM 25 OG SER A 2 20.880 -5.025 -5.067 1.00 51.04 O ATOM 0 H SER A 2 21.760 -4.673 -2.890 1.00 34.22 H new ATOM 0 HA SER A 2 19.025 -3.528 -2.695 1.00 53.14 H new ATOM 0 HB2 SER A 2 18.880 -4.523 -5.022 1.00 71.14 H new ATOM 0 HB3 SER A 2 19.989 -3.177 -4.848 1.00 71.14 H new ATOM 0 HG SER A 2 20.867 -5.897 -4.619 1.00 51.04 H new ATOM 31 N GLY A 3 18.217 -5.614 -1.568 1.00 74.21 N ATOM 32 CA GLY A 3 17.609 -6.798 -0.975 1.00 64.34 C ATOM 33 C GLY A 3 16.865 -6.431 0.292 1.00 61.04 C ATOM 34 O GLY A 3 17.326 -6.718 1.404 1.00 62.42 O ATOM 0 H GLY A 3 17.895 -4.738 -1.157 1.00 74.21 H new ATOM 0 HA2 GLY A 3 16.923 -7.258 -1.687 1.00 64.34 H new ATOM 0 HA3 GLY A 3 18.379 -7.537 -0.751 1.00 64.34 H new ATOM 38 N LYS A 4 15.720 -5.755 0.120 1.00 41.35 N ATOM 39 CA LYS A 4 14.918 -5.218 1.228 1.00 5.43 C ATOM 40 C LYS A 4 13.672 -6.078 1.486 1.00 51.24 C ATOM 41 O LYS A 4 12.898 -6.370 0.565 1.00 50.04 O ATOM 42 CB LYS A 4 14.498 -3.757 0.918 1.00 34.52 C ATOM 43 CG LYS A 4 15.674 -2.761 0.868 1.00 22.22 C ATOM 44 CD LYS A 4 15.210 -1.323 0.547 1.00 51.35 C ATOM 45 CE LYS A 4 16.327 -0.299 0.762 1.00 1.20 C ATOM 46 NZ LYS A 4 16.753 -0.277 2.184 1.00 13.10 N ATOM 0 H LYS A 4 15.322 -5.564 -0.799 1.00 41.35 H new ATOM 0 HA LYS A 4 15.532 -5.237 2.128 1.00 5.43 H new ATOM 0 HB2 LYS A 4 13.977 -3.735 -0.039 1.00 34.52 H new ATOM 0 HB3 LYS A 4 13.788 -3.426 1.675 1.00 34.52 H new ATOM 0 HG2 LYS A 4 16.194 -2.767 1.826 1.00 22.22 H new ATOM 0 HG3 LYS A 4 16.391 -3.086 0.114 1.00 22.22 H new ATOM 0 HD2 LYS A 4 14.868 -1.275 -0.487 1.00 51.35 H new ATOM 0 HD3 LYS A 4 14.358 -1.068 1.177 1.00 51.35 H new ATOM 0 HE2 LYS A 4 17.178 -0.543 0.126 1.00 1.20 H new ATOM 0 HE3 LYS A 4 15.981 0.691 0.466 1.00 1.20 H new ATOM 0 HZ1 LYS A 4 16.763 0.704 2.528 1.00 13.10 H new ATOM 0 HZ2 LYS A 4 16.088 -0.837 2.754 1.00 13.10 H new ATOM 0 HZ3 LYS A 4 17.707 -0.683 2.267 1.00 13.10 H new ATOM 60 N LYS A 5 13.504 -6.477 2.750 1.00 75.10 N ATOM 61 CA LYS A 5 12.290 -7.112 3.259 1.00 32.24 C ATOM 62 C LYS A 5 11.507 -6.026 4.007 1.00 11.23 C ATOM 63 O LYS A 5 11.906 -5.602 5.104 1.00 53.54 O ATOM 64 CB LYS A 5 12.661 -8.328 4.176 1.00 40.31 C ATOM 65 CG LYS A 5 11.474 -9.206 4.683 1.00 41.13 C ATOM 66 CD LYS A 5 10.766 -8.648 5.941 1.00 24.34 C ATOM 67 CE LYS A 5 11.732 -8.483 7.133 1.00 61.52 C ATOM 68 NZ LYS A 5 11.076 -7.801 8.281 1.00 11.15 N ATOM 0 H LYS A 5 14.226 -6.364 3.462 1.00 75.10 H new ATOM 0 HA LYS A 5 11.674 -7.518 2.457 1.00 32.24 H new ATOM 0 HB2 LYS A 5 13.351 -8.970 3.628 1.00 40.31 H new ATOM 0 HB3 LYS A 5 13.200 -7.949 5.044 1.00 40.31 H new ATOM 0 HG2 LYS A 5 10.742 -9.306 3.882 1.00 41.13 H new ATOM 0 HG3 LYS A 5 11.845 -10.207 4.902 1.00 41.13 H new ATOM 0 HD2 LYS A 5 10.317 -7.684 5.704 1.00 24.34 H new ATOM 0 HD3 LYS A 5 9.954 -9.317 6.225 1.00 24.34 H new ATOM 0 HE2 LYS A 5 12.092 -9.462 7.448 1.00 61.52 H new ATOM 0 HE3 LYS A 5 12.604 -7.909 6.818 1.00 61.52 H new ATOM 0 HZ1 LYS A 5 11.755 -7.708 9.063 1.00 11.15 H new ATOM 0 HZ2 LYS A 5 10.755 -6.857 7.986 1.00 11.15 H new ATOM 0 HZ3 LYS A 5 10.259 -8.361 8.597 1.00 11.15 H new ATOM 82 N VAL A 6 10.430 -5.548 3.382 1.00 5.44 N ATOM 83 CA VAL A 6 9.526 -4.565 3.986 1.00 4.05 C ATOM 84 C VAL A 6 8.303 -5.293 4.557 1.00 12.03 C ATOM 85 O VAL A 6 7.858 -6.313 4.017 1.00 12.00 O ATOM 86 CB VAL A 6 9.072 -3.468 2.942 1.00 52.25 C ATOM 87 CG1 VAL A 6 8.380 -4.091 1.713 1.00 72.41 C ATOM 88 CG2 VAL A 6 8.162 -2.397 3.596 1.00 15.42 C ATOM 0 H VAL A 6 10.158 -5.832 2.441 1.00 5.44 H new ATOM 0 HA VAL A 6 10.060 -4.050 4.785 1.00 4.05 H new ATOM 0 HB VAL A 6 9.980 -2.974 2.596 1.00 52.25 H new ATOM 0 HG11 VAL A 6 8.085 -3.301 1.022 1.00 72.41 H new ATOM 0 HG12 VAL A 6 9.070 -4.771 1.213 1.00 72.41 H new ATOM 0 HG13 VAL A 6 7.496 -4.642 2.034 1.00 72.41 H new ATOM 0 HG21 VAL A 6 7.871 -1.661 2.847 1.00 15.42 H new ATOM 0 HG22 VAL A 6 7.270 -2.875 4.001 1.00 15.42 H new ATOM 0 HG23 VAL A 6 8.704 -1.901 4.401 1.00 15.42 H new ATOM 98 N GLU A 7 7.798 -4.785 5.679 1.00 25.24 N ATOM 99 CA GLU A 7 6.522 -5.212 6.246 1.00 13.20 C ATOM 100 C GLU A 7 5.472 -4.162 5.861 1.00 14.12 C ATOM 101 O GLU A 7 5.516 -3.016 6.331 1.00 34.32 O ATOM 102 CB GLU A 7 6.647 -5.359 7.782 1.00 73.52 C ATOM 103 CG GLU A 7 7.630 -6.468 8.228 1.00 63.35 C ATOM 104 CD GLU A 7 7.957 -6.428 9.727 1.00 73.40 C ATOM 105 OE1 GLU A 7 7.045 -6.600 10.554 1.00 44.44 O ATOM 106 OE2 GLU A 7 9.129 -6.183 10.091 1.00 72.24 O ATOM 0 H GLU A 7 8.266 -4.061 6.224 1.00 25.24 H new ATOM 0 HA GLU A 7 6.224 -6.185 5.857 1.00 13.20 H new ATOM 0 HB2 GLU A 7 6.973 -4.408 8.203 1.00 73.52 H new ATOM 0 HB3 GLU A 7 5.662 -5.571 8.198 1.00 73.52 H new ATOM 0 HG2 GLU A 7 7.204 -7.441 7.983 1.00 63.35 H new ATOM 0 HG3 GLU A 7 8.555 -6.373 7.659 1.00 63.35 H new ATOM 113 N VAL A 8 4.561 -4.574 4.980 1.00 30.12 N ATOM 114 CA VAL A 8 3.472 -3.754 4.452 1.00 2.52 C ATOM 115 C VAL A 8 2.189 -4.102 5.223 1.00 61.41 C ATOM 116 O VAL A 8 1.620 -5.182 5.042 1.00 63.45 O ATOM 117 CB VAL A 8 3.297 -4.025 2.905 1.00 52.44 C ATOM 118 CG1 VAL A 8 2.071 -3.295 2.318 1.00 1.53 C ATOM 119 CG2 VAL A 8 4.587 -3.652 2.132 1.00 63.44 C ATOM 0 H VAL A 8 4.561 -5.521 4.601 1.00 30.12 H new ATOM 0 HA VAL A 8 3.694 -2.695 4.580 1.00 2.52 H new ATOM 0 HB VAL A 8 3.118 -5.093 2.785 1.00 52.44 H new ATOM 0 HG11 VAL A 8 1.994 -3.513 1.253 1.00 1.53 H new ATOM 0 HG12 VAL A 8 1.168 -3.636 2.824 1.00 1.53 H new ATOM 0 HG13 VAL A 8 2.184 -2.220 2.462 1.00 1.53 H new ATOM 0 HG21 VAL A 8 4.443 -3.847 1.069 1.00 63.44 H new ATOM 0 HG22 VAL A 8 4.807 -2.595 2.281 1.00 63.44 H new ATOM 0 HG23 VAL A 8 5.419 -4.252 2.502 1.00 63.44 H new ATOM 129 N GLN A 9 1.761 -3.193 6.101 1.00 45.24 N ATOM 130 CA GLN A 9 0.598 -3.402 6.972 1.00 15.33 C ATOM 131 C GLN A 9 -0.601 -2.698 6.330 1.00 3.20 C ATOM 132 O GLN A 9 -0.721 -1.480 6.416 1.00 44.34 O ATOM 133 CB GLN A 9 0.913 -2.824 8.382 1.00 72.32 C ATOM 134 CG GLN A 9 2.222 -3.348 9.011 1.00 15.32 C ATOM 135 CD GLN A 9 2.590 -2.647 10.324 1.00 11.01 C ATOM 136 OE1 GLN A 9 3.359 -1.567 10.241 1.00 71.42 O flip ATOM 137 NE2 GLN A 9 2.192 -3.077 11.409 1.00 43.21 N flip ATOM 0 H GLN A 9 2.212 -2.287 6.230 1.00 45.24 H new ATOM 0 HA GLN A 9 0.368 -4.461 7.088 1.00 15.33 H new ATOM 0 HB2 GLN A 9 0.968 -1.738 8.311 1.00 72.32 H new ATOM 0 HB3 GLN A 9 0.084 -3.058 9.050 1.00 72.32 H new ATOM 0 HG2 GLN A 9 2.126 -4.418 9.194 1.00 15.32 H new ATOM 0 HG3 GLN A 9 3.036 -3.219 8.298 1.00 15.32 H new ATOM 0 HE21 GLN A 9 1.602 -3.909 11.443 1.00 43.21 H new ATOM 0 HE22 GLN A 9 2.452 -2.601 12.273 1.00 43.21 H new ATOM 146 N VAL A 10 -1.462 -3.469 5.650 1.00 4.24 N ATOM 147 CA VAL A 10 -2.621 -2.928 4.925 1.00 70.44 C ATOM 148 C VAL A 10 -3.840 -2.978 5.847 1.00 63.12 C ATOM 149 O VAL A 10 -4.409 -4.047 6.080 1.00 11.30 O ATOM 150 CB VAL A 10 -2.893 -3.713 3.582 1.00 73.03 C ATOM 151 CG1 VAL A 10 -4.141 -3.168 2.843 1.00 12.32 C ATOM 152 CG2 VAL A 10 -1.644 -3.676 2.670 1.00 74.42 C ATOM 0 H VAL A 10 -1.375 -4.483 5.587 1.00 4.24 H new ATOM 0 HA VAL A 10 -2.413 -1.896 4.643 1.00 70.44 H new ATOM 0 HB VAL A 10 -3.100 -4.752 3.839 1.00 73.03 H new ATOM 0 HG11 VAL A 10 -4.295 -3.733 1.924 1.00 12.32 H new ATOM 0 HG12 VAL A 10 -5.017 -3.271 3.484 1.00 12.32 H new ATOM 0 HG13 VAL A 10 -3.990 -2.116 2.601 1.00 12.32 H new ATOM 0 HG21 VAL A 10 -1.850 -4.222 1.749 1.00 74.42 H new ATOM 0 HG22 VAL A 10 -1.398 -2.641 2.431 1.00 74.42 H new ATOM 0 HG23 VAL A 10 -0.803 -4.139 3.186 1.00 74.42 H new ATOM 162 N LYS A 11 -4.199 -1.813 6.393 1.00 4.53 N ATOM 163 CA LYS A 11 -5.306 -1.653 7.329 1.00 2.12 C ATOM 164 C LYS A 11 -6.427 -0.893 6.612 1.00 74.11 C ATOM 165 O LYS A 11 -6.341 0.320 6.441 1.00 72.13 O ATOM 166 CB LYS A 11 -4.802 -0.858 8.571 1.00 5.11 C ATOM 167 CG LYS A 11 -5.854 -0.658 9.685 1.00 31.12 C ATOM 168 CD LYS A 11 -5.393 0.295 10.814 1.00 44.24 C ATOM 169 CE LYS A 11 -4.104 -0.162 11.516 1.00 51.14 C ATOM 170 NZ LYS A 11 -4.240 -1.516 12.121 1.00 3.55 N ATOM 0 H LYS A 11 -3.715 -0.938 6.190 1.00 4.53 H new ATOM 0 HA LYS A 11 -5.684 -2.618 7.666 1.00 2.12 H new ATOM 0 HB2 LYS A 11 -3.942 -1.378 8.993 1.00 5.11 H new ATOM 0 HB3 LYS A 11 -4.453 0.120 8.241 1.00 5.11 H new ATOM 0 HG2 LYS A 11 -6.769 -0.265 9.242 1.00 31.12 H new ATOM 0 HG3 LYS A 11 -6.100 -1.628 10.118 1.00 31.12 H new ATOM 0 HD2 LYS A 11 -5.237 1.290 10.397 1.00 44.24 H new ATOM 0 HD3 LYS A 11 -6.189 0.381 11.554 1.00 44.24 H new ATOM 0 HE2 LYS A 11 -3.284 -0.168 10.798 1.00 51.14 H new ATOM 0 HE3 LYS A 11 -3.842 0.556 12.293 1.00 51.14 H new ATOM 0 HZ1 LYS A 11 -3.352 -1.774 12.597 1.00 3.55 H new ATOM 0 HZ2 LYS A 11 -5.016 -1.510 12.814 1.00 3.55 H new ATOM 0 HZ3 LYS A 11 -4.447 -2.210 11.375 1.00 3.55 H new ATOM 184 N ILE A 12 -7.472 -1.601 6.183 1.00 3.42 N ATOM 185 CA ILE A 12 -8.604 -0.985 5.468 1.00 23.43 C ATOM 186 C ILE A 12 -9.862 -1.063 6.340 1.00 25.02 C ATOM 187 O ILE A 12 -10.068 -2.045 7.040 1.00 1.23 O ATOM 188 CB ILE A 12 -8.846 -1.653 4.060 1.00 3.34 C ATOM 189 CG1 ILE A 12 -9.993 -0.918 3.297 1.00 25.23 C ATOM 190 CG2 ILE A 12 -9.128 -3.172 4.178 1.00 34.45 C ATOM 191 CD1 ILE A 12 -10.267 -1.443 1.909 1.00 71.52 C ATOM 0 H ILE A 12 -7.563 -2.608 6.316 1.00 3.42 H new ATOM 0 HA ILE A 12 -8.362 0.061 5.279 1.00 23.43 H new ATOM 0 HB ILE A 12 -7.928 -1.549 3.482 1.00 3.34 H new ATOM 0 HG12 ILE A 12 -10.908 -0.992 3.885 1.00 25.23 H new ATOM 0 HG13 ILE A 12 -9.744 0.141 3.227 1.00 25.23 H new ATOM 0 HG21 ILE A 12 -9.289 -3.590 3.184 1.00 34.45 H new ATOM 0 HG22 ILE A 12 -8.276 -3.665 4.646 1.00 34.45 H new ATOM 0 HG23 ILE A 12 -10.018 -3.331 4.787 1.00 34.45 H new ATOM 0 HD11 ILE A 12 -11.078 -0.872 1.458 1.00 71.52 H new ATOM 0 HD12 ILE A 12 -9.370 -1.343 1.299 1.00 71.52 H new ATOM 0 HD13 ILE A 12 -10.551 -2.494 1.967 1.00 71.52 H new ATOM 203 N THR A 13 -10.680 -0.004 6.307 1.00 0.25 N ATOM 204 CA THR A 13 -11.913 0.095 7.098 1.00 2.35 C ATOM 205 C THR A 13 -13.126 0.290 6.164 1.00 54.44 C ATOM 206 O THR A 13 -13.076 1.108 5.232 1.00 32.43 O ATOM 207 CB THR A 13 -11.798 1.278 8.113 1.00 51.25 C ATOM 208 OG1 THR A 13 -10.609 1.105 8.913 1.00 12.41 O ATOM 209 CG2 THR A 13 -13.024 1.383 9.044 1.00 75.24 C ATOM 0 H THR A 13 -10.503 0.815 5.726 1.00 0.25 H new ATOM 0 HA THR A 13 -12.057 -0.829 7.658 1.00 2.35 H new ATOM 0 HB THR A 13 -11.747 2.200 7.534 1.00 51.25 H new ATOM 0 HG1 THR A 13 -10.772 0.423 9.597 1.00 12.41 H new ATOM 0 HG21 THR A 13 -12.891 2.221 9.728 1.00 75.24 H new ATOM 0 HG22 THR A 13 -13.922 1.541 8.447 1.00 75.24 H new ATOM 0 HG23 THR A 13 -13.127 0.461 9.616 1.00 75.24 H new ATOM 217 N CYS A 14 -14.188 -0.497 6.423 1.00 10.33 N ATOM 218 CA CYS A 14 -15.470 -0.435 5.702 1.00 10.22 C ATOM 219 C CYS A 14 -16.581 -1.092 6.544 1.00 3.22 C ATOM 220 O CYS A 14 -16.376 -2.188 7.085 1.00 5.34 O ATOM 221 CB CYS A 14 -15.381 -1.132 4.336 1.00 40.21 C ATOM 222 SG CYS A 14 -17.006 -1.293 3.536 1.00 4.24 S ATOM 0 H CYS A 14 -14.176 -1.208 7.155 1.00 10.33 H new ATOM 0 HA CYS A 14 -15.707 0.616 5.535 1.00 10.22 H new ATOM 0 HB2 CYS A 14 -14.713 -0.568 3.686 1.00 40.21 H new ATOM 0 HB3 CYS A 14 -14.942 -2.121 4.463 1.00 40.21 H new ATOM 227 N ASN A 15 -17.750 -0.410 6.643 1.00 75.33 N ATOM 228 CA ASN A 15 -18.938 -0.866 7.429 1.00 12.22 C ATOM 229 C ASN A 15 -18.640 -0.944 8.945 1.00 35.24 C ATOM 230 O ASN A 15 -19.342 -1.645 9.692 1.00 54.33 O ATOM 231 CB ASN A 15 -19.505 -2.229 6.904 1.00 61.10 C ATOM 232 CG ASN A 15 -20.068 -2.151 5.487 1.00 10.31 C ATOM 233 OD1 ASN A 15 -19.312 -2.601 4.497 1.00 21.33 O flip ATOM 234 ND2 ASN A 15 -21.210 -1.728 5.291 1.00 63.12 N flip ATOM 0 H ASN A 15 -17.902 0.484 6.176 1.00 75.33 H new ATOM 0 HA ASN A 15 -19.708 -0.108 7.282 1.00 12.22 H new ATOM 0 HB2 ASN A 15 -18.713 -2.977 6.931 1.00 61.10 H new ATOM 0 HB3 ASN A 15 -20.289 -2.571 7.579 1.00 61.10 H new ATOM 0 HD21 ASN A 15 -21.769 -1.388 6.073 1.00 63.12 H new ATOM 0 HD22 ASN A 15 -21.595 -1.719 4.347 1.00 63.12 H new ATOM 241 N GLY A 16 -17.627 -0.174 9.396 1.00 70.42 N ATOM 242 CA GLY A 16 -17.155 -0.222 10.787 1.00 1.31 C ATOM 243 C GLY A 16 -16.331 -1.470 11.095 1.00 4.44 C ATOM 244 O GLY A 16 -16.118 -1.815 12.262 1.00 61.44 O ATOM 0 H GLY A 16 -17.121 0.490 8.810 1.00 70.42 H new ATOM 0 HA2 GLY A 16 -16.553 0.664 10.991 1.00 1.31 H new ATOM 0 HA3 GLY A 16 -18.014 -0.186 11.458 1.00 1.31 H new ATOM 248 N LYS A 17 -15.870 -2.151 10.036 1.00 43.04 N ATOM 249 CA LYS A 17 -15.037 -3.362 10.135 1.00 22.54 C ATOM 250 C LYS A 17 -13.681 -3.115 9.474 1.00 11.40 C ATOM 251 O LYS A 17 -13.612 -2.769 8.290 1.00 10.00 O ATOM 252 CB LYS A 17 -15.762 -4.573 9.471 1.00 74.01 C ATOM 253 CG LYS A 17 -16.954 -5.169 10.282 1.00 30.12 C ATOM 254 CD LYS A 17 -16.587 -6.425 11.116 1.00 24.35 C ATOM 255 CE LYS A 17 -15.537 -6.172 12.206 1.00 44.12 C ATOM 256 NZ LYS A 17 -15.204 -7.417 12.951 1.00 64.14 N ATOM 0 H LYS A 17 -16.067 -1.874 9.074 1.00 43.04 H new ATOM 0 HA LYS A 17 -14.874 -3.598 11.187 1.00 22.54 H new ATOM 0 HB2 LYS A 17 -16.130 -4.262 8.493 1.00 74.01 H new ATOM 0 HB3 LYS A 17 -15.031 -5.363 9.300 1.00 74.01 H new ATOM 0 HG2 LYS A 17 -17.343 -4.402 10.952 1.00 30.12 H new ATOM 0 HG3 LYS A 17 -17.757 -5.426 9.591 1.00 30.12 H new ATOM 0 HD2 LYS A 17 -17.492 -6.815 11.582 1.00 24.35 H new ATOM 0 HD3 LYS A 17 -16.217 -7.199 10.443 1.00 24.35 H new ATOM 0 HE2 LYS A 17 -14.632 -5.767 11.753 1.00 44.12 H new ATOM 0 HE3 LYS A 17 -15.909 -5.420 12.902 1.00 44.12 H new ATOM 0 HZ1 LYS A 17 -14.492 -7.206 13.679 1.00 64.14 H new ATOM 0 HZ2 LYS A 17 -16.062 -7.790 13.405 1.00 64.14 H new ATOM 0 HZ3 LYS A 17 -14.825 -8.126 12.291 1.00 64.14 H new ATOM 270 N THR A 18 -12.610 -3.290 10.254 1.00 44.14 N ATOM 271 CA THR A 18 -11.239 -3.130 9.776 1.00 22.44 C ATOM 272 C THR A 18 -10.630 -4.510 9.435 1.00 14.11 C ATOM 273 O THR A 18 -10.559 -5.401 10.290 1.00 54.23 O ATOM 274 CB THR A 18 -10.368 -2.388 10.837 1.00 61.42 C ATOM 275 OG1 THR A 18 -10.960 -1.103 11.129 1.00 15.44 O ATOM 276 CG2 THR A 18 -8.927 -2.184 10.353 1.00 75.24 C ATOM 0 H THR A 18 -12.673 -3.548 11.239 1.00 44.14 H new ATOM 0 HA THR A 18 -11.254 -2.524 8.870 1.00 22.44 H new ATOM 0 HB THR A 18 -10.336 -3.006 11.734 1.00 61.42 H new ATOM 0 HG1 THR A 18 -10.415 -0.636 11.796 1.00 15.44 H new ATOM 0 HG21 THR A 18 -8.355 -1.664 11.122 1.00 75.24 H new ATOM 0 HG22 THR A 18 -8.469 -3.153 10.154 1.00 75.24 H new ATOM 0 HG23 THR A 18 -8.931 -1.590 9.439 1.00 75.24 H new ATOM 284 N TYR A 19 -10.209 -4.663 8.175 1.00 34.44 N ATOM 285 CA TYR A 19 -9.541 -5.862 7.661 1.00 13.45 C ATOM 286 C TYR A 19 -8.055 -5.518 7.483 1.00 40.23 C ATOM 287 O TYR A 19 -7.703 -4.697 6.625 1.00 2.22 O ATOM 288 CB TYR A 19 -10.180 -6.285 6.310 1.00 21.24 C ATOM 289 CG TYR A 19 -11.690 -6.586 6.385 1.00 63.14 C ATOM 290 CD1 TYR A 19 -12.643 -5.564 6.268 1.00 31.33 C ATOM 291 CD2 TYR A 19 -12.163 -7.892 6.558 1.00 22.22 C ATOM 292 CE1 TYR A 19 -13.999 -5.834 6.326 1.00 33.22 C ATOM 293 CE2 TYR A 19 -13.520 -8.162 6.613 1.00 30.52 C ATOM 294 CZ TYR A 19 -14.431 -7.132 6.494 1.00 12.20 C ATOM 295 OH TYR A 19 -15.783 -7.404 6.542 1.00 51.32 O ATOM 0 H TYR A 19 -10.327 -3.938 7.467 1.00 34.44 H new ATOM 0 HA TYR A 19 -9.650 -6.699 8.351 1.00 13.45 H new ATOM 0 HB2 TYR A 19 -10.016 -5.492 5.581 1.00 21.24 H new ATOM 0 HB3 TYR A 19 -9.664 -7.170 5.939 1.00 21.24 H new ATOM 0 HD1 TYR A 19 -12.312 -4.545 6.130 1.00 31.33 H new ATOM 0 HD2 TYR A 19 -11.457 -8.704 6.650 1.00 22.22 H new ATOM 0 HE1 TYR A 19 -14.716 -5.031 6.240 1.00 33.22 H new ATOM 0 HE2 TYR A 19 -13.865 -9.176 6.749 1.00 30.52 H new ATOM 0 HH TYR A 19 -15.919 -8.367 6.664 1.00 51.32 H new ATOM 305 N GLU A 20 -7.189 -6.114 8.312 1.00 52.32 N ATOM 306 CA GLU A 20 -5.757 -5.770 8.341 1.00 12.34 C ATOM 307 C GLU A 20 -4.863 -7.004 8.518 1.00 54.21 C ATOM 308 O GLU A 20 -5.303 -8.031 9.051 1.00 24.03 O ATOM 309 CB GLU A 20 -5.506 -4.692 9.441 1.00 12.21 C ATOM 310 CG GLU A 20 -5.964 -5.039 10.882 1.00 35.50 C ATOM 311 CD GLU A 20 -5.015 -5.995 11.629 1.00 41.11 C ATOM 312 OE1 GLU A 20 -3.843 -5.619 11.847 1.00 3.45 O ATOM 313 OE2 GLU A 20 -5.424 -7.124 11.981 1.00 34.22 O ATOM 0 H GLU A 20 -7.455 -6.841 8.976 1.00 52.32 H new ATOM 0 HA GLU A 20 -5.481 -5.351 7.374 1.00 12.34 H new ATOM 0 HB2 GLU A 20 -4.438 -4.477 9.467 1.00 12.21 H new ATOM 0 HB3 GLU A 20 -6.009 -3.774 9.137 1.00 12.21 H new ATOM 0 HG2 GLU A 20 -6.058 -4.116 11.454 1.00 35.50 H new ATOM 0 HG3 GLU A 20 -6.956 -5.489 10.838 1.00 35.50 H new ATOM 320 N ARG A 21 -3.607 -6.878 8.055 1.00 35.13 N ATOM 321 CA ARG A 21 -2.561 -7.904 8.219 1.00 11.55 C ATOM 322 C ARG A 21 -1.192 -7.311 7.833 1.00 31.03 C ATOM 323 O ARG A 21 -1.108 -6.462 6.934 1.00 74.20 O ATOM 324 CB ARG A 21 -2.872 -9.187 7.378 1.00 23.14 C ATOM 325 CG ARG A 21 -1.823 -10.321 7.505 1.00 12.51 C ATOM 326 CD ARG A 21 -2.231 -11.609 6.772 1.00 65.34 C ATOM 327 NE ARG A 21 -3.443 -12.214 7.354 1.00 51.32 N ATOM 328 CZ ARG A 21 -3.994 -13.379 6.971 1.00 11.21 C ATOM 329 NH1 ARG A 21 -3.444 -14.099 5.998 1.00 14.30 N ATOM 330 NH2 ARG A 21 -5.102 -13.814 7.570 1.00 61.10 N ATOM 0 H ARG A 21 -3.286 -6.052 7.551 1.00 35.13 H new ATOM 0 HA ARG A 21 -2.538 -8.208 9.266 1.00 11.55 H new ATOM 0 HB2 ARG A 21 -3.844 -9.576 7.681 1.00 23.14 H new ATOM 0 HB3 ARG A 21 -2.955 -8.904 6.329 1.00 23.14 H new ATOM 0 HG2 ARG A 21 -0.870 -9.971 7.108 1.00 12.51 H new ATOM 0 HG3 ARG A 21 -1.666 -10.545 8.560 1.00 12.51 H new ATOM 0 HD2 ARG A 21 -2.406 -11.387 5.719 1.00 65.34 H new ATOM 0 HD3 ARG A 21 -1.411 -12.326 6.815 1.00 65.34 H new ATOM 0 HE ARG A 21 -3.902 -11.706 8.110 1.00 51.32 H new ATOM 0 HH11 ARG A 21 -2.597 -13.769 5.535 1.00 14.30 H new ATOM 0 HH12 ARG A 21 -3.869 -14.982 5.714 1.00 14.30 H new ATOM 0 HH21 ARG A 21 -5.528 -13.264 8.316 1.00 61.10 H new ATOM 0 HH22 ARG A 21 -5.524 -14.697 7.283 1.00 61.10 H new ATOM 344 N THR A 22 -0.138 -7.747 8.544 1.00 2.40 N ATOM 345 CA THR A 22 1.252 -7.427 8.214 1.00 20.32 C ATOM 346 C THR A 22 1.769 -8.442 7.172 1.00 71.34 C ATOM 347 O THR A 22 1.890 -9.639 7.465 1.00 15.45 O ATOM 348 CB THR A 22 2.146 -7.461 9.500 1.00 44.23 C ATOM 349 OG1 THR A 22 1.594 -6.576 10.489 1.00 23.12 O ATOM 350 CG2 THR A 22 3.608 -7.060 9.210 1.00 70.51 C ATOM 0 H THR A 22 -0.233 -8.337 9.371 1.00 2.40 H new ATOM 0 HA THR A 22 1.301 -6.421 7.798 1.00 20.32 H new ATOM 0 HB THR A 22 2.155 -8.487 9.867 1.00 44.23 H new ATOM 0 HG1 THR A 22 2.151 -6.598 11.295 1.00 23.12 H new ATOM 0 HG21 THR A 22 4.186 -7.099 10.133 1.00 70.51 H new ATOM 0 HG22 THR A 22 4.037 -7.750 8.483 1.00 70.51 H new ATOM 0 HG23 THR A 22 3.635 -6.047 8.808 1.00 70.51 H new ATOM 358 N TYR A 23 2.025 -7.959 5.949 1.00 64.32 N ATOM 359 CA TYR A 23 2.552 -8.776 4.838 1.00 53.22 C ATOM 360 C TYR A 23 4.063 -8.561 4.731 1.00 61.44 C ATOM 361 O TYR A 23 4.535 -7.436 4.849 1.00 54.12 O ATOM 362 CB TYR A 23 1.869 -8.386 3.498 1.00 20.22 C ATOM 363 CG TYR A 23 0.337 -8.446 3.554 1.00 70.44 C ATOM 364 CD1 TYR A 23 -0.349 -9.655 3.409 1.00 24.11 C ATOM 365 CD2 TYR A 23 -0.421 -7.293 3.774 1.00 34.14 C ATOM 366 CE1 TYR A 23 -1.727 -9.702 3.491 1.00 64.45 C ATOM 367 CE2 TYR A 23 -1.792 -7.345 3.866 1.00 11.11 C ATOM 368 CZ TYR A 23 -2.438 -8.544 3.715 1.00 64.43 C ATOM 369 OH TYR A 23 -3.803 -8.589 3.818 1.00 72.54 O ATOM 0 H TYR A 23 1.872 -6.983 5.697 1.00 64.32 H new ATOM 0 HA TYR A 23 2.340 -9.826 5.038 1.00 53.22 H new ATOM 0 HB2 TYR A 23 2.176 -7.377 3.223 1.00 20.22 H new ATOM 0 HB3 TYR A 23 2.223 -9.052 2.711 1.00 20.22 H new ATOM 0 HD1 TYR A 23 0.206 -10.564 3.231 1.00 24.11 H new ATOM 0 HD2 TYR A 23 0.080 -6.342 3.874 1.00 34.14 H new ATOM 0 HE1 TYR A 23 -2.245 -10.643 3.380 1.00 64.45 H new ATOM 0 HE2 TYR A 23 -2.357 -6.445 4.056 1.00 11.11 H new ATOM 0 HH TYR A 23 -4.095 -8.009 4.552 1.00 72.54 H new ATOM 379 N GLN A 24 4.806 -9.638 4.492 1.00 13.24 N ATOM 380 CA GLN A 24 6.271 -9.599 4.394 1.00 34.31 C ATOM 381 C GLN A 24 6.640 -9.717 2.911 1.00 51.45 C ATOM 382 O GLN A 24 6.447 -10.774 2.307 1.00 12.11 O ATOM 383 CB GLN A 24 6.915 -10.746 5.240 1.00 42.41 C ATOM 384 CG GLN A 24 6.724 -10.628 6.782 1.00 40.23 C ATOM 385 CD GLN A 24 5.274 -10.811 7.266 1.00 75.13 C ATOM 386 OE1 GLN A 24 4.496 -11.565 6.676 1.00 62.53 O ATOM 387 NE2 GLN A 24 4.897 -10.126 8.341 1.00 63.33 N ATOM 0 H GLN A 24 4.412 -10.569 4.359 1.00 13.24 H new ATOM 0 HA GLN A 24 6.657 -8.663 4.797 1.00 34.31 H new ATOM 0 HB2 GLN A 24 6.495 -11.697 4.911 1.00 42.41 H new ATOM 0 HB3 GLN A 24 7.983 -10.777 5.025 1.00 42.41 H new ATOM 0 HG2 GLN A 24 7.352 -11.373 7.270 1.00 40.23 H new ATOM 0 HG3 GLN A 24 7.080 -9.650 7.105 1.00 40.23 H new ATOM 0 HE21 GLN A 24 5.560 -9.509 8.811 1.00 63.33 H new ATOM 0 HE22 GLN A 24 3.945 -10.217 8.696 1.00 63.33 H new ATOM 396 N LEU A 25 7.135 -8.617 2.325 1.00 52.11 N ATOM 397 CA LEU A 25 7.447 -8.522 0.889 1.00 64.12 C ATOM 398 C LEU A 25 8.954 -8.283 0.711 1.00 14.13 C ATOM 399 O LEU A 25 9.449 -7.178 0.956 1.00 31.24 O ATOM 400 CB LEU A 25 6.611 -7.380 0.226 1.00 32.53 C ATOM 401 CG LEU A 25 5.054 -7.524 0.312 1.00 11.33 C ATOM 402 CD1 LEU A 25 4.336 -6.362 -0.407 1.00 31.35 C ATOM 403 CD2 LEU A 25 4.575 -8.891 -0.231 1.00 11.10 C ATOM 0 H LEU A 25 7.333 -7.758 2.839 1.00 52.11 H new ATOM 0 HA LEU A 25 7.181 -9.456 0.394 1.00 64.12 H new ATOM 0 HB2 LEU A 25 6.894 -6.435 0.690 1.00 32.53 H new ATOM 0 HB3 LEU A 25 6.892 -7.316 -0.825 1.00 32.53 H new ATOM 0 HG LEU A 25 4.788 -7.477 1.368 1.00 11.33 H new ATOM 0 HD11 LEU A 25 3.257 -6.496 -0.327 1.00 31.35 H new ATOM 0 HD12 LEU A 25 4.620 -5.417 0.056 1.00 31.35 H new ATOM 0 HD13 LEU A 25 4.623 -6.352 -1.459 1.00 31.35 H new ATOM 0 HD21 LEU A 25 3.489 -8.953 -0.154 1.00 11.10 H new ATOM 0 HD22 LEU A 25 4.871 -8.992 -1.275 1.00 11.10 H new ATOM 0 HD23 LEU A 25 5.026 -9.693 0.353 1.00 11.10 H new ATOM 415 N TYR A 26 9.684 -9.347 0.344 1.00 25.54 N ATOM 416 CA TYR A 26 11.125 -9.279 0.063 1.00 71.40 C ATOM 417 C TYR A 26 11.348 -9.087 -1.446 1.00 73.22 C ATOM 418 O TYR A 26 10.829 -9.864 -2.251 1.00 71.33 O ATOM 419 CB TYR A 26 11.837 -10.573 0.551 1.00 71.13 C ATOM 420 CG TYR A 26 13.368 -10.554 0.357 1.00 12.21 C ATOM 421 CD1 TYR A 26 14.163 -9.691 1.112 1.00 0.21 C ATOM 422 CD2 TYR A 26 14.014 -11.368 -0.583 1.00 4.12 C ATOM 423 CE1 TYR A 26 15.526 -9.641 0.954 1.00 33.51 C ATOM 424 CE2 TYR A 26 15.390 -11.317 -0.743 1.00 45.04 C ATOM 425 CZ TYR A 26 16.136 -10.451 0.026 1.00 24.43 C ATOM 426 OH TYR A 26 17.507 -10.401 -0.127 1.00 71.11 O ATOM 0 H TYR A 26 9.290 -10.281 0.234 1.00 25.54 H new ATOM 0 HA TYR A 26 11.550 -8.431 0.600 1.00 71.40 H new ATOM 0 HB2 TYR A 26 11.616 -10.721 1.608 1.00 71.13 H new ATOM 0 HB3 TYR A 26 11.423 -11.428 0.016 1.00 71.13 H new ATOM 0 HD1 TYR A 26 13.694 -9.045 1.840 1.00 0.21 H new ATOM 0 HD2 TYR A 26 13.432 -12.044 -1.191 1.00 4.12 H new ATOM 0 HE1 TYR A 26 16.117 -8.967 1.557 1.00 33.51 H new ATOM 0 HE2 TYR A 26 15.875 -11.954 -1.468 1.00 45.04 H new ATOM 0 HH TYR A 26 17.782 -11.035 -0.822 1.00 71.11 H new ATOM 436 N ALA A 27 12.113 -8.052 -1.813 1.00 14.31 N ATOM 437 CA ALA A 27 12.512 -7.782 -3.201 1.00 55.14 C ATOM 438 C ALA A 27 13.961 -7.319 -3.232 1.00 72.40 C ATOM 439 O ALA A 27 14.459 -6.761 -2.250 1.00 43.21 O ATOM 440 CB ALA A 27 11.603 -6.717 -3.822 1.00 13.00 C ATOM 0 H ALA A 27 12.477 -7.370 -1.147 1.00 14.31 H new ATOM 0 HA ALA A 27 12.414 -8.698 -3.784 1.00 55.14 H new ATOM 0 HB1 ALA A 27 11.912 -6.529 -4.850 1.00 13.00 H new ATOM 0 HB2 ALA A 27 10.571 -7.069 -3.812 1.00 13.00 H new ATOM 0 HB3 ALA A 27 11.677 -5.794 -3.246 1.00 13.00 H new ATOM 446 N VAL A 28 14.628 -7.562 -4.366 1.00 42.24 N ATOM 447 CA VAL A 28 15.996 -7.084 -4.605 1.00 34.25 C ATOM 448 C VAL A 28 15.946 -5.570 -4.897 1.00 42.13 C ATOM 449 O VAL A 28 16.524 -4.757 -4.170 1.00 41.33 O ATOM 450 CB VAL A 28 16.674 -7.860 -5.800 1.00 72.13 C ATOM 451 CG1 VAL A 28 18.143 -7.425 -6.017 1.00 24.11 C ATOM 452 CG2 VAL A 28 16.570 -9.393 -5.607 1.00 11.14 C ATOM 0 H VAL A 28 14.236 -8.094 -5.143 1.00 42.24 H new ATOM 0 HA VAL A 28 16.601 -7.270 -3.717 1.00 34.25 H new ATOM 0 HB VAL A 28 16.123 -7.596 -6.703 1.00 72.13 H new ATOM 0 HG11 VAL A 28 18.569 -7.985 -6.849 1.00 24.11 H new ATOM 0 HG12 VAL A 28 18.177 -6.359 -6.242 1.00 24.11 H new ATOM 0 HG13 VAL A 28 18.719 -7.624 -5.113 1.00 24.11 H new ATOM 0 HG21 VAL A 28 17.046 -9.899 -6.447 1.00 11.14 H new ATOM 0 HG22 VAL A 28 17.070 -9.678 -4.681 1.00 11.14 H new ATOM 0 HG23 VAL A 28 15.520 -9.683 -5.557 1.00 11.14 H new ATOM 462 N ARG A 29 15.194 -5.207 -5.949 1.00 1.04 N ATOM 463 CA ARG A 29 15.046 -3.810 -6.394 1.00 25.23 C ATOM 464 C ARG A 29 13.707 -3.215 -5.925 1.00 41.12 C ATOM 465 O ARG A 29 12.806 -3.935 -5.471 1.00 44.10 O ATOM 466 CB ARG A 29 15.169 -3.727 -7.940 1.00 52.43 C ATOM 467 CG ARG A 29 16.554 -4.124 -8.488 1.00 14.42 C ATOM 468 CD ARG A 29 16.615 -4.100 -10.024 1.00 54.53 C ATOM 469 NE ARG A 29 17.974 -4.361 -10.523 1.00 2.45 N ATOM 470 CZ ARG A 29 18.473 -3.905 -11.680 1.00 15.54 C ATOM 471 NH1 ARG A 29 17.730 -3.156 -12.492 1.00 51.25 N ATOM 472 NH2 ARG A 29 19.724 -4.188 -12.012 1.00 34.43 N ATOM 0 H ARG A 29 14.671 -5.874 -6.516 1.00 1.04 H new ATOM 0 HA ARG A 29 15.846 -3.222 -5.944 1.00 25.23 H new ATOM 0 HB2 ARG A 29 14.415 -4.374 -8.388 1.00 52.43 H new ATOM 0 HB3 ARG A 29 14.944 -2.709 -8.257 1.00 52.43 H new ATOM 0 HG2 ARG A 29 17.307 -3.444 -8.088 1.00 14.42 H new ATOM 0 HG3 ARG A 29 16.807 -5.123 -8.134 1.00 14.42 H new ATOM 0 HD2 ARG A 29 15.931 -4.847 -10.426 1.00 54.53 H new ATOM 0 HD3 ARG A 29 16.276 -3.129 -10.386 1.00 54.53 H new ATOM 0 HE ARG A 29 18.585 -4.935 -9.942 1.00 2.45 H new ATOM 0 HH11 ARG A 29 16.770 -2.924 -12.236 1.00 51.25 H new ATOM 0 HH12 ARG A 29 18.120 -2.814 -13.370 1.00 51.25 H new ATOM 0 HH21 ARG A 29 20.302 -4.751 -11.388 1.00 34.43 H new ATOM 0 HH22 ARG A 29 20.109 -3.843 -12.892 1.00 34.43 H new ATOM 486 N ASP A 30 13.612 -1.885 -6.076 1.00 25.24 N ATOM 487 CA ASP A 30 12.448 -1.058 -5.687 1.00 43.43 C ATOM 488 C ASP A 30 11.234 -1.405 -6.572 1.00 72.01 C ATOM 489 O ASP A 30 10.108 -1.581 -6.096 1.00 75.11 O ATOM 490 CB ASP A 30 12.781 0.459 -5.873 1.00 63.45 C ATOM 491 CG ASP A 30 14.078 0.964 -5.205 1.00 61.02 C ATOM 492 OD1 ASP A 30 15.131 0.304 -5.318 1.00 24.44 O ATOM 493 OD2 ASP A 30 14.060 2.052 -4.615 1.00 14.45 O ATOM 0 H ASP A 30 14.366 -1.333 -6.485 1.00 25.24 H new ATOM 0 HA ASP A 30 12.216 -1.261 -4.642 1.00 43.43 H new ATOM 0 HB2 ASP A 30 12.844 0.667 -6.941 1.00 63.45 H new ATOM 0 HB3 ASP A 30 11.947 1.042 -5.483 1.00 63.45 H new ATOM 498 N GLU A 31 11.523 -1.482 -7.882 1.00 23.14 N ATOM 499 CA GLU A 31 10.549 -1.799 -8.950 1.00 70.13 C ATOM 500 C GLU A 31 9.910 -3.192 -8.748 1.00 1.11 C ATOM 501 O GLU A 31 8.746 -3.405 -9.093 1.00 35.20 O ATOM 502 CB GLU A 31 11.277 -1.705 -10.328 1.00 14.32 C ATOM 503 CG GLU A 31 12.508 -2.639 -10.469 1.00 75.22 C ATOM 504 CD GLU A 31 13.480 -2.228 -11.587 1.00 12.54 C ATOM 505 OE1 GLU A 31 13.175 -2.464 -12.775 1.00 34.42 O ATOM 506 OE2 GLU A 31 14.557 -1.667 -11.281 1.00 41.23 O ATOM 0 H GLU A 31 12.464 -1.322 -8.241 1.00 23.14 H new ATOM 0 HA GLU A 31 9.732 -1.079 -8.915 1.00 70.13 H new ATOM 0 HB2 GLU A 31 10.565 -1.942 -11.118 1.00 14.32 H new ATOM 0 HB3 GLU A 31 11.598 -0.675 -10.486 1.00 14.32 H new ATOM 0 HG2 GLU A 31 13.047 -2.658 -9.522 1.00 75.22 H new ATOM 0 HG3 GLU A 31 12.161 -3.655 -10.659 1.00 75.22 H new ATOM 513 N GLU A 32 10.671 -4.112 -8.136 1.00 32.01 N ATOM 514 CA GLU A 32 10.231 -5.496 -7.887 1.00 65.21 C ATOM 515 C GLU A 32 9.155 -5.560 -6.795 1.00 45.11 C ATOM 516 O GLU A 32 8.354 -6.503 -6.758 1.00 3.04 O ATOM 517 CB GLU A 32 11.455 -6.350 -7.498 1.00 31.34 C ATOM 518 CG GLU A 32 12.555 -6.391 -8.569 1.00 33.42 C ATOM 519 CD GLU A 32 12.073 -6.961 -9.914 1.00 5.44 C ATOM 520 OE1 GLU A 32 11.862 -8.187 -10.003 1.00 45.30 O ATOM 521 OE2 GLU A 32 11.888 -6.190 -10.876 1.00 2.33 O ATOM 0 H GLU A 32 11.613 -3.917 -7.798 1.00 32.01 H new ATOM 0 HA GLU A 32 9.783 -5.890 -8.799 1.00 65.21 H new ATOM 0 HB2 GLU A 32 11.878 -5.960 -6.572 1.00 31.34 H new ATOM 0 HB3 GLU A 32 11.124 -7.368 -7.293 1.00 31.34 H new ATOM 0 HG2 GLU A 32 12.938 -5.382 -8.726 1.00 33.42 H new ATOM 0 HG3 GLU A 32 13.386 -6.994 -8.204 1.00 33.42 H new ATOM 528 N LEU A 33 9.143 -4.546 -5.914 1.00 11.55 N ATOM 529 CA LEU A 33 8.161 -4.446 -4.824 1.00 73.12 C ATOM 530 C LEU A 33 6.774 -4.041 -5.393 1.00 22.50 C ATOM 531 O LEU A 33 5.748 -4.426 -4.824 1.00 2.24 O ATOM 532 CB LEU A 33 8.657 -3.438 -3.725 1.00 54.13 C ATOM 533 CG LEU A 33 8.420 -3.854 -2.222 1.00 15.11 C ATOM 534 CD1 LEU A 33 6.931 -4.095 -1.887 1.00 74.24 C ATOM 535 CD2 LEU A 33 9.269 -5.086 -1.834 1.00 42.33 C ATOM 0 H LEU A 33 9.811 -3.776 -5.938 1.00 11.55 H new ATOM 0 HA LEU A 33 8.056 -5.420 -4.347 1.00 73.12 H new ATOM 0 HB2 LEU A 33 9.725 -3.277 -3.869 1.00 54.13 H new ATOM 0 HB3 LEU A 33 8.164 -2.481 -3.895 1.00 54.13 H new ATOM 0 HG LEU A 33 8.746 -3.003 -1.623 1.00 15.11 H new ATOM 0 HD11 LEU A 33 6.835 -4.378 -0.839 1.00 74.24 H new ATOM 0 HD12 LEU A 33 6.365 -3.182 -2.070 1.00 74.24 H new ATOM 0 HD13 LEU A 33 6.541 -4.895 -2.516 1.00 74.24 H new ATOM 0 HD21 LEU A 33 9.080 -5.344 -0.792 1.00 42.33 H new ATOM 0 HD22 LEU A 33 9.000 -5.929 -2.471 1.00 42.33 H new ATOM 0 HD23 LEU A 33 10.326 -4.855 -1.965 1.00 42.33 H new ATOM 547 N LYS A 34 6.768 -3.300 -6.536 1.00 35.14 N ATOM 548 CA LYS A 34 5.524 -2.780 -7.168 1.00 51.35 C ATOM 549 C LYS A 34 4.476 -3.886 -7.404 1.00 12.11 C ATOM 550 O LYS A 34 3.345 -3.778 -6.922 1.00 50.44 O ATOM 551 CB LYS A 34 5.793 -2.067 -8.530 1.00 2.41 C ATOM 552 CG LYS A 34 6.452 -0.669 -8.449 1.00 74.42 C ATOM 553 CD LYS A 34 6.373 0.083 -9.808 1.00 74.15 C ATOM 554 CE LYS A 34 4.914 0.347 -10.262 1.00 53.54 C ATOM 555 NZ LYS A 34 4.831 0.891 -11.650 1.00 20.43 N ATOM 0 H LYS A 34 7.618 -3.049 -7.041 1.00 35.14 H new ATOM 0 HA LYS A 34 5.134 -2.055 -6.453 1.00 51.35 H new ATOM 0 HB2 LYS A 34 6.430 -2.712 -9.135 1.00 2.41 H new ATOM 0 HB3 LYS A 34 4.845 -1.969 -9.059 1.00 2.41 H new ATOM 0 HG2 LYS A 34 5.959 -0.078 -7.677 1.00 74.42 H new ATOM 0 HG3 LYS A 34 7.495 -0.775 -8.152 1.00 74.42 H new ATOM 0 HD2 LYS A 34 6.901 1.033 -9.724 1.00 74.15 H new ATOM 0 HD3 LYS A 34 6.887 -0.501 -10.572 1.00 74.15 H new ATOM 0 HE2 LYS A 34 4.347 -0.582 -10.206 1.00 53.54 H new ATOM 0 HE3 LYS A 34 4.445 1.049 -9.573 1.00 53.54 H new ATOM 0 HZ1 LYS A 34 4.012 1.528 -11.725 1.00 20.43 H new ATOM 0 HZ2 LYS A 34 5.700 1.418 -11.869 1.00 20.43 H new ATOM 0 HZ3 LYS A 34 4.723 0.107 -12.324 1.00 20.43 H new ATOM 569 N GLU A 35 4.881 -4.935 -8.152 1.00 73.33 N ATOM 570 CA GLU A 35 3.984 -6.035 -8.558 1.00 54.34 C ATOM 571 C GLU A 35 3.377 -6.769 -7.344 1.00 24.53 C ATOM 572 O GLU A 35 2.219 -7.192 -7.390 1.00 64.25 O ATOM 573 CB GLU A 35 4.726 -6.994 -9.544 1.00 3.30 C ATOM 574 CG GLU A 35 6.059 -7.640 -9.049 1.00 70.11 C ATOM 575 CD GLU A 35 5.916 -8.959 -8.256 1.00 2.20 C ATOM 576 OE1 GLU A 35 4.852 -9.621 -8.325 1.00 51.11 O ATOM 577 OE2 GLU A 35 6.894 -9.369 -7.589 1.00 51.03 O ATOM 0 H GLU A 35 5.837 -5.042 -8.490 1.00 73.33 H new ATOM 0 HA GLU A 35 3.133 -5.610 -9.090 1.00 54.34 H new ATOM 0 HB2 GLU A 35 4.041 -7.798 -9.812 1.00 3.30 H new ATOM 0 HB3 GLU A 35 4.939 -6.439 -10.458 1.00 3.30 H new ATOM 0 HG2 GLU A 35 6.694 -7.826 -9.915 1.00 70.11 H new ATOM 0 HG3 GLU A 35 6.580 -6.916 -8.422 1.00 70.11 H new ATOM 584 N LYS A 36 4.157 -6.840 -6.246 1.00 23.11 N ATOM 585 CA LYS A 36 3.720 -7.464 -4.979 1.00 63.32 C ATOM 586 C LYS A 36 2.603 -6.627 -4.332 1.00 62.33 C ATOM 587 O LYS A 36 1.581 -7.168 -3.913 1.00 32.31 O ATOM 588 CB LYS A 36 4.910 -7.592 -3.990 1.00 4.34 C ATOM 589 CG LYS A 36 6.158 -8.240 -4.594 1.00 31.24 C ATOM 590 CD LYS A 36 7.331 -8.368 -3.601 1.00 74.04 C ATOM 591 CE LYS A 36 8.612 -8.825 -4.305 1.00 2.23 C ATOM 592 NZ LYS A 36 8.429 -10.095 -5.056 1.00 52.44 N ATOM 0 H LYS A 36 5.106 -6.467 -6.212 1.00 23.11 H new ATOM 0 HA LYS A 36 3.341 -8.461 -5.205 1.00 63.32 H new ATOM 0 HB2 LYS A 36 5.171 -6.600 -3.622 1.00 4.34 H new ATOM 0 HB3 LYS A 36 4.591 -8.178 -3.128 1.00 4.34 H new ATOM 0 HG2 LYS A 36 5.898 -9.231 -4.966 1.00 31.24 H new ATOM 0 HG3 LYS A 36 6.483 -7.652 -5.453 1.00 31.24 H new ATOM 0 HD2 LYS A 36 7.504 -7.408 -3.114 1.00 74.04 H new ATOM 0 HD3 LYS A 36 7.071 -9.080 -2.818 1.00 74.04 H new ATOM 0 HE2 LYS A 36 8.943 -8.046 -4.991 1.00 2.23 H new ATOM 0 HE3 LYS A 36 9.402 -8.955 -3.566 1.00 2.23 H new ATOM 0 HZ1 LYS A 36 9.359 -10.493 -5.297 1.00 52.44 H new ATOM 0 HZ2 LYS A 36 7.904 -10.774 -4.468 1.00 52.44 H new ATOM 0 HZ3 LYS A 36 7.895 -9.908 -5.929 1.00 52.44 H new ATOM 606 N LEU A 37 2.832 -5.296 -4.286 1.00 41.32 N ATOM 607 CA LEU A 37 1.873 -4.307 -3.752 1.00 71.32 C ATOM 608 C LEU A 37 0.540 -4.372 -4.513 1.00 43.20 C ATOM 609 O LEU A 37 -0.523 -4.337 -3.900 1.00 25.10 O ATOM 610 CB LEU A 37 2.469 -2.875 -3.851 1.00 73.51 C ATOM 611 CG LEU A 37 3.726 -2.610 -2.974 1.00 44.25 C ATOM 612 CD1 LEU A 37 4.426 -1.298 -3.381 1.00 52.25 C ATOM 613 CD2 LEU A 37 3.361 -2.617 -1.472 1.00 43.23 C ATOM 0 H LEU A 37 3.698 -4.875 -4.623 1.00 41.32 H new ATOM 0 HA LEU A 37 1.685 -4.545 -2.705 1.00 71.32 H new ATOM 0 HB2 LEU A 37 2.726 -2.679 -4.892 1.00 73.51 H new ATOM 0 HB3 LEU A 37 1.696 -2.159 -3.573 1.00 73.51 H new ATOM 0 HG LEU A 37 4.434 -3.421 -3.147 1.00 44.25 H new ATOM 0 HD11 LEU A 37 5.301 -1.141 -2.750 1.00 52.25 H new ATOM 0 HD12 LEU A 37 4.738 -1.360 -4.424 1.00 52.25 H new ATOM 0 HD13 LEU A 37 3.735 -0.464 -3.258 1.00 52.25 H new ATOM 0 HD21 LEU A 37 4.256 -2.430 -0.879 1.00 43.23 H new ATOM 0 HD22 LEU A 37 2.624 -1.839 -1.273 1.00 43.23 H new ATOM 0 HD23 LEU A 37 2.945 -3.588 -1.203 1.00 43.23 H new ATOM 625 N LYS A 38 0.630 -4.497 -5.856 1.00 55.22 N ATOM 626 CA LYS A 38 -0.534 -4.600 -6.757 1.00 61.12 C ATOM 627 C LYS A 38 -1.361 -5.859 -6.457 1.00 41.20 C ATOM 628 O LYS A 38 -2.593 -5.808 -6.474 1.00 12.44 O ATOM 629 CB LYS A 38 -0.060 -4.614 -8.237 1.00 14.53 C ATOM 630 CG LYS A 38 0.670 -3.333 -8.683 1.00 3.04 C ATOM 631 CD LYS A 38 1.252 -3.400 -10.117 1.00 21.13 C ATOM 632 CE LYS A 38 0.191 -3.345 -11.235 1.00 61.15 C ATOM 633 NZ LYS A 38 -0.667 -4.558 -11.325 1.00 44.35 N ATOM 0 H LYS A 38 1.523 -4.529 -6.347 1.00 55.22 H new ATOM 0 HA LYS A 38 -1.170 -3.731 -6.589 1.00 61.12 H new ATOM 0 HB2 LYS A 38 0.603 -5.466 -8.385 1.00 14.53 H new ATOM 0 HB3 LYS A 38 -0.925 -4.768 -8.882 1.00 14.53 H new ATOM 0 HG2 LYS A 38 -0.023 -2.494 -8.623 1.00 3.04 H new ATOM 0 HG3 LYS A 38 1.480 -3.128 -7.983 1.00 3.04 H new ATOM 0 HD2 LYS A 38 1.949 -2.573 -10.253 1.00 21.13 H new ATOM 0 HD3 LYS A 38 1.826 -4.321 -10.221 1.00 21.13 H new ATOM 0 HE2 LYS A 38 -0.446 -2.475 -11.073 1.00 61.15 H new ATOM 0 HE3 LYS A 38 0.694 -3.198 -12.191 1.00 61.15 H new ATOM 0 HZ1 LYS A 38 -0.801 -4.815 -12.324 1.00 44.35 H new ATOM 0 HZ2 LYS A 38 -0.209 -5.345 -10.823 1.00 44.35 H new ATOM 0 HZ3 LYS A 38 -1.592 -4.362 -10.891 1.00 44.35 H new ATOM 647 N LYS A 39 -0.666 -6.987 -6.190 1.00 63.22 N ATOM 648 CA LYS A 39 -1.328 -8.243 -5.795 1.00 44.14 C ATOM 649 C LYS A 39 -2.063 -8.076 -4.452 1.00 72.44 C ATOM 650 O LYS A 39 -3.254 -8.361 -4.368 1.00 53.32 O ATOM 651 CB LYS A 39 -0.320 -9.418 -5.709 1.00 50.45 C ATOM 652 CG LYS A 39 0.388 -9.761 -7.033 1.00 4.14 C ATOM 653 CD LYS A 39 -0.589 -10.042 -8.194 1.00 73.34 C ATOM 654 CE LYS A 39 0.136 -10.429 -9.491 1.00 61.45 C ATOM 655 NZ LYS A 39 -0.828 -10.627 -10.600 1.00 54.14 N ATOM 0 H LYS A 39 0.351 -7.050 -6.242 1.00 63.22 H new ATOM 0 HA LYS A 39 -2.058 -8.481 -6.569 1.00 44.14 H new ATOM 0 HB2 LYS A 39 0.436 -9.176 -4.962 1.00 50.45 H new ATOM 0 HB3 LYS A 39 -0.846 -10.304 -5.355 1.00 50.45 H new ATOM 0 HG2 LYS A 39 1.043 -8.935 -7.311 1.00 4.14 H new ATOM 0 HG3 LYS A 39 1.022 -10.634 -6.882 1.00 4.14 H new ATOM 0 HD2 LYS A 39 -1.268 -10.845 -7.907 1.00 73.34 H new ATOM 0 HD3 LYS A 39 -1.200 -9.157 -8.373 1.00 73.34 H new ATOM 0 HE2 LYS A 39 0.849 -9.650 -9.759 1.00 61.45 H new ATOM 0 HE3 LYS A 39 0.707 -11.344 -9.333 1.00 61.45 H new ATOM 0 HZ1 LYS A 39 -0.313 -10.888 -11.465 1.00 54.14 H new ATOM 0 HZ2 LYS A 39 -1.493 -11.387 -10.351 1.00 54.14 H new ATOM 0 HZ3 LYS A 39 -1.355 -9.745 -10.763 1.00 54.14 H new ATOM 669 N VAL A 40 -1.340 -7.564 -3.434 1.00 51.15 N ATOM 670 CA VAL A 40 -1.855 -7.380 -2.059 1.00 22.33 C ATOM 671 C VAL A 40 -3.076 -6.424 -2.029 1.00 64.13 C ATOM 672 O VAL A 40 -4.042 -6.656 -1.282 1.00 73.23 O ATOM 673 CB VAL A 40 -0.717 -6.846 -1.097 1.00 34.51 C ATOM 674 CG1 VAL A 40 -1.254 -6.540 0.317 1.00 54.53 C ATOM 675 CG2 VAL A 40 0.468 -7.845 -1.020 1.00 41.21 C ATOM 0 H VAL A 40 -0.372 -7.263 -3.544 1.00 51.15 H new ATOM 0 HA VAL A 40 -2.184 -8.356 -1.703 1.00 22.33 H new ATOM 0 HB VAL A 40 -0.355 -5.911 -1.525 1.00 34.51 H new ATOM 0 HG11 VAL A 40 -0.440 -6.176 0.944 1.00 54.53 H new ATOM 0 HG12 VAL A 40 -2.032 -5.779 0.254 1.00 54.53 H new ATOM 0 HG13 VAL A 40 -1.670 -7.448 0.753 1.00 54.53 H new ATOM 0 HG21 VAL A 40 1.234 -7.451 -0.352 1.00 41.21 H new ATOM 0 HG22 VAL A 40 0.113 -8.803 -0.639 1.00 41.21 H new ATOM 0 HG23 VAL A 40 0.891 -7.985 -2.015 1.00 41.21 H new ATOM 685 N LEU A 41 -3.028 -5.370 -2.872 1.00 55.24 N ATOM 686 CA LEU A 41 -4.118 -4.384 -2.984 1.00 45.43 C ATOM 687 C LEU A 41 -5.360 -5.033 -3.617 1.00 45.33 C ATOM 688 O LEU A 41 -6.432 -4.977 -3.034 1.00 2.44 O ATOM 689 CB LEU A 41 -3.664 -3.113 -3.769 1.00 31.52 C ATOM 690 CG LEU A 41 -2.686 -2.163 -2.999 1.00 34.41 C ATOM 691 CD1 LEU A 41 -2.245 -0.971 -3.876 1.00 24.25 C ATOM 692 CD2 LEU A 41 -3.308 -1.680 -1.666 1.00 54.32 C ATOM 0 H LEU A 41 -2.238 -5.182 -3.489 1.00 55.24 H new ATOM 0 HA LEU A 41 -4.384 -4.053 -1.980 1.00 45.43 H new ATOM 0 HB2 LEU A 41 -3.182 -3.430 -4.694 1.00 31.52 H new ATOM 0 HB3 LEU A 41 -4.550 -2.544 -4.050 1.00 31.52 H new ATOM 0 HG LEU A 41 -1.792 -2.739 -2.759 1.00 34.41 H new ATOM 0 HD11 LEU A 41 -1.567 -0.333 -3.309 1.00 24.25 H new ATOM 0 HD12 LEU A 41 -1.735 -1.342 -4.765 1.00 24.25 H new ATOM 0 HD13 LEU A 41 -3.121 -0.395 -4.174 1.00 24.25 H new ATOM 0 HD21 LEU A 41 -2.606 -1.022 -1.154 1.00 54.32 H new ATOM 0 HD22 LEU A 41 -4.231 -1.137 -1.871 1.00 54.32 H new ATOM 0 HD23 LEU A 41 -3.526 -2.540 -1.033 1.00 54.32 H new ATOM 704 N ASN A 42 -5.182 -5.706 -4.775 1.00 52.32 N ATOM 705 CA ASN A 42 -6.284 -6.403 -5.488 1.00 34.53 C ATOM 706 C ASN A 42 -6.897 -7.529 -4.630 1.00 43.24 C ATOM 707 O ASN A 42 -8.092 -7.811 -4.739 1.00 41.33 O ATOM 708 CB ASN A 42 -5.806 -6.963 -6.860 1.00 0.24 C ATOM 709 CG ASN A 42 -5.512 -5.877 -7.900 1.00 3.13 C ATOM 710 OD1 ASN A 42 -5.097 -4.764 -7.570 1.00 71.41 O ATOM 711 ND2 ASN A 42 -5.733 -6.183 -9.169 1.00 31.12 N ATOM 0 H ASN A 42 -4.278 -5.783 -5.242 1.00 52.32 H new ATOM 0 HA ASN A 42 -7.062 -5.662 -5.673 1.00 34.53 H new ATOM 0 HB2 ASN A 42 -4.906 -7.559 -6.706 1.00 0.24 H new ATOM 0 HB3 ASN A 42 -6.569 -7.634 -7.254 1.00 0.24 H new ATOM 0 HD21 ASN A 42 -5.560 -5.491 -9.898 1.00 31.12 H new ATOM 0 HD22 ASN A 42 -6.076 -7.111 -9.418 1.00 31.12 H new ATOM 718 N GLU A 43 -6.070 -8.140 -3.766 1.00 34.20 N ATOM 719 CA GLU A 43 -6.518 -9.158 -2.804 1.00 45.34 C ATOM 720 C GLU A 43 -7.430 -8.535 -1.740 1.00 43.50 C ATOM 721 O GLU A 43 -8.552 -8.999 -1.534 1.00 13.32 O ATOM 722 CB GLU A 43 -5.294 -9.848 -2.132 1.00 23.31 C ATOM 723 CG GLU A 43 -4.559 -10.877 -3.013 1.00 72.43 C ATOM 724 CD GLU A 43 -5.414 -12.107 -3.360 1.00 41.53 C ATOM 725 OE1 GLU A 43 -5.553 -13.004 -2.496 1.00 55.12 O ATOM 726 OE2 GLU A 43 -5.962 -12.181 -4.482 1.00 10.34 O ATOM 0 H GLU A 43 -5.071 -7.941 -3.716 1.00 34.20 H new ATOM 0 HA GLU A 43 -7.089 -9.912 -3.346 1.00 45.34 H new ATOM 0 HB2 GLU A 43 -4.584 -9.079 -1.829 1.00 23.31 H new ATOM 0 HB3 GLU A 43 -5.631 -10.346 -1.223 1.00 23.31 H new ATOM 0 HG2 GLU A 43 -4.242 -10.392 -3.936 1.00 72.43 H new ATOM 0 HG3 GLU A 43 -3.656 -11.205 -2.498 1.00 72.43 H new ATOM 733 N ARG A 44 -6.943 -7.463 -1.090 1.00 42.41 N ATOM 734 CA ARG A 44 -7.634 -6.847 0.057 1.00 64.22 C ATOM 735 C ARG A 44 -8.859 -6.026 -0.388 1.00 45.02 C ATOM 736 O ARG A 44 -9.820 -5.877 0.371 1.00 14.44 O ATOM 737 CB ARG A 44 -6.644 -5.976 0.906 1.00 43.31 C ATOM 738 CG ARG A 44 -6.984 -5.899 2.421 1.00 12.05 C ATOM 739 CD ARG A 44 -6.607 -7.183 3.209 1.00 50.14 C ATOM 740 NE ARG A 44 -7.306 -8.408 2.739 1.00 52.12 N ATOM 741 CZ ARG A 44 -6.733 -9.451 2.097 1.00 12.31 C ATOM 742 NH1 ARG A 44 -5.434 -9.472 1.829 1.00 12.24 N ATOM 743 NH2 ARG A 44 -7.479 -10.465 1.701 1.00 33.13 N ATOM 0 H ARG A 44 -6.068 -7.003 -1.342 1.00 42.41 H new ATOM 0 HA ARG A 44 -8.001 -7.655 0.690 1.00 64.22 H new ATOM 0 HB2 ARG A 44 -5.638 -6.380 0.793 1.00 43.31 H new ATOM 0 HB3 ARG A 44 -6.630 -4.965 0.499 1.00 43.31 H new ATOM 0 HG2 ARG A 44 -6.463 -5.048 2.859 1.00 12.05 H new ATOM 0 HG3 ARG A 44 -8.052 -5.712 2.536 1.00 12.05 H new ATOM 0 HD2 ARG A 44 -5.531 -7.340 3.134 1.00 50.14 H new ATOM 0 HD3 ARG A 44 -6.834 -7.029 4.264 1.00 50.14 H new ATOM 0 HE ARG A 44 -8.309 -8.467 2.917 1.00 52.12 H new ATOM 0 HH11 ARG A 44 -4.843 -8.689 2.109 1.00 12.24 H new ATOM 0 HH12 ARG A 44 -5.026 -10.271 1.343 1.00 12.24 H new ATOM 0 HH21 ARG A 44 -8.483 -10.460 1.880 1.00 33.13 H new ATOM 0 HH22 ARG A 44 -7.051 -11.254 1.216 1.00 33.13 H new ATOM 757 N MET A 45 -8.819 -5.520 -1.631 1.00 53.31 N ATOM 758 CA MET A 45 -9.895 -4.703 -2.212 1.00 61.31 C ATOM 759 C MET A 45 -11.040 -5.568 -2.768 1.00 61.31 C ATOM 760 O MET A 45 -12.176 -5.111 -2.794 1.00 53.04 O ATOM 761 CB MET A 45 -9.336 -3.781 -3.335 1.00 31.44 C ATOM 762 CG MET A 45 -8.493 -2.572 -2.861 1.00 41.24 C ATOM 763 SD MET A 45 -9.418 -1.010 -2.841 1.00 63.31 S ATOM 764 CE MET A 45 -10.627 -1.294 -1.565 1.00 64.10 C ATOM 0 H MET A 45 -8.034 -5.668 -2.265 1.00 53.31 H new ATOM 0 HA MET A 45 -10.300 -4.089 -1.408 1.00 61.31 H new ATOM 0 HB2 MET A 45 -8.724 -4.386 -4.004 1.00 31.44 H new ATOM 0 HB3 MET A 45 -10.175 -3.407 -3.922 1.00 31.44 H new ATOM 0 HG2 MET A 45 -8.114 -2.774 -1.859 1.00 41.24 H new ATOM 0 HG3 MET A 45 -7.627 -2.464 -3.514 1.00 41.24 H new ATOM 0 HE1 MET A 45 -10.932 -0.340 -1.134 1.00 64.10 H new ATOM 0 HE2 MET A 45 -11.497 -1.793 -1.992 1.00 64.10 H new ATOM 0 HE3 MET A 45 -10.194 -1.922 -0.787 1.00 64.10 H new ATOM 774 N ASP A 46 -10.728 -6.811 -3.195 1.00 22.14 N ATOM 775 CA ASP A 46 -11.703 -7.699 -3.877 1.00 60.14 C ATOM 776 C ASP A 46 -12.989 -7.960 -3.029 1.00 62.43 C ATOM 777 O ASP A 46 -14.095 -7.697 -3.526 1.00 11.50 O ATOM 778 CB ASP A 46 -11.026 -9.027 -4.331 1.00 55.24 C ATOM 779 CG ASP A 46 -11.989 -9.986 -5.049 1.00 25.12 C ATOM 780 OD1 ASP A 46 -12.547 -9.602 -6.101 1.00 63.45 O ATOM 781 OD2 ASP A 46 -12.207 -11.118 -4.566 1.00 43.14 O ATOM 0 H ASP A 46 -9.804 -7.227 -3.080 1.00 22.14 H new ATOM 0 HA ASP A 46 -12.039 -7.170 -4.769 1.00 60.14 H new ATOM 0 HB2 ASP A 46 -10.194 -8.794 -4.995 1.00 55.24 H new ATOM 0 HB3 ASP A 46 -10.607 -9.529 -3.459 1.00 55.24 H new ATOM 786 N PRO A 47 -12.890 -8.412 -1.724 1.00 31.32 N ATOM 787 CA PRO A 47 -14.094 -8.591 -0.861 1.00 3.04 C ATOM 788 C PRO A 47 -14.808 -7.244 -0.583 1.00 33.42 C ATOM 789 O PRO A 47 -16.032 -7.199 -0.476 1.00 44.44 O ATOM 790 CB PRO A 47 -13.524 -9.212 0.440 1.00 41.03 C ATOM 791 CG PRO A 47 -12.088 -8.786 0.461 1.00 14.51 C ATOM 792 CD PRO A 47 -11.651 -8.788 -0.978 1.00 31.42 C ATOM 0 HA PRO A 47 -14.853 -9.217 -1.329 1.00 3.04 H new ATOM 0 HB2 PRO A 47 -14.058 -8.851 1.319 1.00 41.03 H new ATOM 0 HB3 PRO A 47 -13.616 -10.298 0.435 1.00 41.03 H new ATOM 0 HG2 PRO A 47 -11.978 -7.796 0.904 1.00 14.51 H new ATOM 0 HG3 PRO A 47 -11.484 -9.470 1.056 1.00 14.51 H new ATOM 0 HD2 PRO A 47 -10.846 -8.074 -1.153 1.00 31.42 H new ATOM 0 HD3 PRO A 47 -11.281 -9.767 -1.283 1.00 31.42 H new ATOM 800 N ILE A 48 -14.017 -6.153 -0.541 1.00 0.45 N ATOM 801 CA ILE A 48 -14.491 -4.802 -0.173 1.00 12.41 C ATOM 802 C ILE A 48 -15.310 -4.166 -1.328 1.00 64.43 C ATOM 803 O ILE A 48 -16.286 -3.434 -1.088 1.00 30.55 O ATOM 804 CB ILE A 48 -13.262 -3.893 0.211 1.00 61.52 C ATOM 805 CG1 ILE A 48 -12.455 -4.530 1.390 1.00 65.42 C ATOM 806 CG2 ILE A 48 -13.678 -2.444 0.546 1.00 33.12 C ATOM 807 CD1 ILE A 48 -13.203 -4.652 2.711 1.00 14.22 C ATOM 0 H ILE A 48 -13.022 -6.184 -0.763 1.00 0.45 H new ATOM 0 HA ILE A 48 -15.151 -4.886 0.690 1.00 12.41 H new ATOM 0 HB ILE A 48 -12.618 -3.838 -0.667 1.00 61.52 H new ATOM 0 HG12 ILE A 48 -12.127 -5.524 1.086 1.00 65.42 H new ATOM 0 HG13 ILE A 48 -11.557 -3.934 1.555 1.00 65.42 H new ATOM 0 HG21 ILE A 48 -12.793 -1.862 0.803 1.00 33.12 H new ATOM 0 HG22 ILE A 48 -14.168 -1.997 -0.319 1.00 33.12 H new ATOM 0 HG23 ILE A 48 -14.367 -2.449 1.390 1.00 33.12 H new ATOM 0 HD11 ILE A 48 -12.551 -5.106 3.458 1.00 14.22 H new ATOM 0 HD12 ILE A 48 -13.508 -3.662 3.049 1.00 14.22 H new ATOM 0 HD13 ILE A 48 -14.086 -5.276 2.573 1.00 14.22 H new ATOM 819 N LYS A 49 -14.926 -4.488 -2.578 1.00 23.31 N ATOM 820 CA LYS A 49 -15.651 -4.053 -3.788 1.00 10.11 C ATOM 821 C LYS A 49 -17.001 -4.790 -3.879 1.00 4.15 C ATOM 822 O LYS A 49 -18.003 -4.232 -4.337 1.00 5.05 O ATOM 823 CB LYS A 49 -14.801 -4.316 -5.063 1.00 22.34 C ATOM 824 CG LYS A 49 -13.511 -3.467 -5.165 1.00 45.05 C ATOM 825 CD LYS A 49 -12.636 -3.864 -6.380 1.00 73.51 C ATOM 826 CE LYS A 49 -11.323 -3.067 -6.460 1.00 10.23 C ATOM 827 NZ LYS A 49 -10.490 -3.489 -7.624 1.00 14.30 N ATOM 0 H LYS A 49 -14.104 -5.058 -2.778 1.00 23.31 H new ATOM 0 HA LYS A 49 -15.835 -2.981 -3.720 1.00 10.11 H new ATOM 0 HB2 LYS A 49 -14.529 -5.371 -5.091 1.00 22.34 H new ATOM 0 HB3 LYS A 49 -15.418 -4.123 -5.941 1.00 22.34 H new ATOM 0 HG2 LYS A 49 -13.778 -2.413 -5.242 1.00 45.05 H new ATOM 0 HG3 LYS A 49 -12.930 -3.582 -4.250 1.00 45.05 H new ATOM 0 HD2 LYS A 49 -12.406 -4.928 -6.323 1.00 73.51 H new ATOM 0 HD3 LYS A 49 -13.205 -3.709 -7.297 1.00 73.51 H new ATOM 0 HE2 LYS A 49 -11.547 -2.003 -6.540 1.00 10.23 H new ATOM 0 HE3 LYS A 49 -10.757 -3.205 -5.539 1.00 10.23 H new ATOM 0 HZ1 LYS A 49 -9.572 -3.841 -7.285 1.00 14.30 H new ATOM 0 HZ2 LYS A 49 -10.979 -4.245 -8.145 1.00 14.30 H new ATOM 0 HZ3 LYS A 49 -10.338 -2.676 -8.255 1.00 14.30 H new ATOM 841 N LYS A 50 -16.998 -6.053 -3.420 1.00 73.33 N ATOM 842 CA LYS A 50 -18.202 -6.895 -3.326 1.00 23.24 C ATOM 843 C LYS A 50 -19.114 -6.427 -2.166 1.00 71.21 C ATOM 844 O LYS A 50 -20.335 -6.571 -2.239 1.00 22.30 O ATOM 845 CB LYS A 50 -17.769 -8.368 -3.142 1.00 24.55 C ATOM 846 CG LYS A 50 -18.927 -9.375 -2.962 1.00 43.45 C ATOM 847 CD LYS A 50 -18.423 -10.821 -2.780 1.00 73.34 C ATOM 848 CE LYS A 50 -17.453 -10.970 -1.593 1.00 33.25 C ATOM 849 NZ LYS A 50 -16.867 -12.333 -1.532 1.00 52.11 N ATOM 0 H LYS A 50 -16.151 -6.523 -3.101 1.00 73.33 H new ATOM 0 HA LYS A 50 -18.783 -6.806 -4.244 1.00 23.24 H new ATOM 0 HB2 LYS A 50 -17.179 -8.668 -4.008 1.00 24.55 H new ATOM 0 HB3 LYS A 50 -17.114 -8.432 -2.273 1.00 24.55 H new ATOM 0 HG2 LYS A 50 -19.523 -9.089 -2.095 1.00 43.45 H new ATOM 0 HG3 LYS A 50 -19.584 -9.328 -3.830 1.00 43.45 H new ATOM 0 HD2 LYS A 50 -19.277 -11.482 -2.631 1.00 73.34 H new ATOM 0 HD3 LYS A 50 -17.924 -11.145 -3.694 1.00 73.34 H new ATOM 0 HE2 LYS A 50 -16.654 -10.234 -1.681 1.00 33.25 H new ATOM 0 HE3 LYS A 50 -17.980 -10.758 -0.663 1.00 33.25 H new ATOM 0 HZ1 LYS A 50 -16.219 -12.396 -0.721 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -17.628 -13.033 -1.423 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -16.343 -12.525 -2.409 1.00 52.11 H new ATOM 863 N LEU A 51 -18.495 -5.840 -1.116 1.00 72.02 N ATOM 864 CA LEU A 51 -19.238 -5.219 0.002 1.00 2.24 C ATOM 865 C LEU A 51 -19.890 -3.910 -0.484 1.00 24.03 C ATOM 866 O LEU A 51 -20.940 -3.508 0.024 1.00 32.44 O ATOM 867 CB LEU A 51 -18.316 -4.934 1.233 1.00 51.24 C ATOM 868 CG LEU A 51 -17.756 -6.184 1.994 1.00 21.01 C ATOM 869 CD1 LEU A 51 -16.876 -5.772 3.199 1.00 62.21 C ATOM 870 CD2 LEU A 51 -18.890 -7.134 2.427 1.00 23.45 C ATOM 0 H LEU A 51 -17.481 -5.784 -1.021 1.00 72.02 H new ATOM 0 HA LEU A 51 -20.005 -5.921 0.328 1.00 2.24 H new ATOM 0 HB2 LEU A 51 -17.471 -4.335 0.894 1.00 51.24 H new ATOM 0 HB3 LEU A 51 -18.875 -4.325 1.943 1.00 51.24 H new ATOM 0 HG LEU A 51 -17.119 -6.728 1.297 1.00 21.01 H new ATOM 0 HD11 LEU A 51 -16.506 -6.666 3.702 1.00 62.21 H new ATOM 0 HD12 LEU A 51 -16.033 -5.178 2.847 1.00 62.21 H new ATOM 0 HD13 LEU A 51 -17.469 -5.182 3.898 1.00 62.21 H new ATOM 0 HD21 LEU A 51 -18.467 -7.990 2.952 1.00 23.45 H new ATOM 0 HD22 LEU A 51 -19.575 -6.605 3.089 1.00 23.45 H new ATOM 0 HD23 LEU A 51 -19.431 -7.480 1.546 1.00 23.45 H new ATOM 882 N GLY A 52 -19.237 -3.261 -1.473 1.00 73.44 N ATOM 883 CA GLY A 52 -19.753 -2.042 -2.090 1.00 24.12 C ATOM 884 C GLY A 52 -19.664 -0.852 -1.156 1.00 54.13 C ATOM 885 O GLY A 52 -20.668 -0.195 -0.872 1.00 70.45 O ATOM 0 H GLY A 52 -18.345 -3.573 -1.856 1.00 73.44 H new ATOM 0 HA2 GLY A 52 -19.192 -1.831 -3.001 1.00 24.12 H new ATOM 0 HA3 GLY A 52 -20.791 -2.196 -2.384 1.00 24.12 H new ATOM 889 N CYS A 53 -18.457 -0.603 -0.644 1.00 31.52 N ATOM 890 CA CYS A 53 -18.197 0.499 0.287 1.00 2.42 C ATOM 891 C CYS A 53 -18.220 1.850 -0.459 1.00 72.11 C ATOM 892 O CYS A 53 -17.464 2.046 -1.418 1.00 41.03 O ATOM 893 CB CYS A 53 -16.841 0.272 0.970 1.00 62.35 C ATOM 894 SG CYS A 53 -16.609 -1.430 1.564 1.00 72.52 S ATOM 0 H CYS A 53 -17.631 -1.160 -0.863 1.00 31.52 H new ATOM 0 HA CYS A 53 -18.977 0.526 1.048 1.00 2.42 H new ATOM 0 HB2 CYS A 53 -16.044 0.516 0.268 1.00 62.35 H new ATOM 0 HB3 CYS A 53 -16.747 0.959 1.811 1.00 62.35 H new ATOM 899 N LYS A 54 -19.107 2.763 -0.020 1.00 54.34 N ATOM 900 CA LYS A 54 -19.233 4.126 -0.585 1.00 64.11 C ATOM 901 C LYS A 54 -17.976 4.967 -0.274 1.00 51.34 C ATOM 902 O LYS A 54 -17.645 5.908 -1.004 1.00 75.13 O ATOM 903 CB LYS A 54 -20.519 4.809 -0.037 1.00 14.14 C ATOM 904 CG LYS A 54 -21.818 4.058 -0.400 1.00 4.33 C ATOM 905 CD LYS A 54 -23.084 4.693 0.215 1.00 34.12 C ATOM 906 CE LYS A 54 -24.360 3.930 -0.175 1.00 23.02 C ATOM 907 NZ LYS A 54 -25.565 4.472 0.511 1.00 30.31 N ATOM 0 H LYS A 54 -19.761 2.578 0.740 1.00 54.34 H new ATOM 0 HA LYS A 54 -19.317 4.053 -1.669 1.00 64.11 H new ATOM 0 HB2 LYS A 54 -20.445 4.887 1.048 1.00 14.14 H new ATOM 0 HB3 LYS A 54 -20.575 5.825 -0.427 1.00 14.14 H new ATOM 0 HG2 LYS A 54 -21.923 4.032 -1.485 1.00 4.33 H new ATOM 0 HG3 LYS A 54 -21.738 3.025 -0.063 1.00 4.33 H new ATOM 0 HD2 LYS A 54 -22.990 4.710 1.301 1.00 34.12 H new ATOM 0 HD3 LYS A 54 -23.166 5.729 -0.114 1.00 34.12 H new ATOM 0 HE2 LYS A 54 -24.501 3.987 -1.254 1.00 23.02 H new ATOM 0 HE3 LYS A 54 -24.243 2.876 0.076 1.00 23.02 H new ATOM 0 HZ1 LYS A 54 -26.403 3.930 0.220 1.00 30.31 H new ATOM 0 HZ2 LYS A 54 -25.442 4.395 1.541 1.00 30.31 H new ATOM 0 HZ3 LYS A 54 -25.692 5.471 0.252 1.00 30.31 H new ATOM 921 N ARG A 55 -17.284 4.590 0.810 1.00 13.43 N ATOM 922 CA ARG A 55 -16.013 5.193 1.226 1.00 2.55 C ATOM 923 C ARG A 55 -15.078 4.084 1.736 1.00 3.35 C ATOM 924 O ARG A 55 -15.485 3.257 2.559 1.00 54.43 O ATOM 925 CB ARG A 55 -16.248 6.248 2.351 1.00 23.20 C ATOM 926 CG ARG A 55 -14.973 6.975 2.847 1.00 34.12 C ATOM 927 CD ARG A 55 -14.288 7.776 1.737 1.00 4.22 C ATOM 928 NE ARG A 55 -15.180 8.816 1.190 1.00 13.43 N ATOM 929 CZ ARG A 55 -15.180 9.258 -0.078 1.00 60.50 C ATOM 930 NH1 ARG A 55 -14.323 8.768 -0.967 1.00 72.14 N ATOM 931 NH2 ARG A 55 -16.028 10.213 -0.443 1.00 64.24 N ATOM 0 H ARG A 55 -17.598 3.845 1.432 1.00 13.43 H new ATOM 0 HA ARG A 55 -15.560 5.699 0.373 1.00 2.55 H new ATOM 0 HB2 ARG A 55 -16.954 6.994 1.986 1.00 23.20 H new ATOM 0 HB3 ARG A 55 -16.718 5.752 3.200 1.00 23.20 H new ATOM 0 HG2 ARG A 55 -15.236 7.645 3.666 1.00 34.12 H new ATOM 0 HG3 ARG A 55 -14.273 6.242 3.247 1.00 34.12 H new ATOM 0 HD2 ARG A 55 -13.383 8.241 2.128 1.00 4.22 H new ATOM 0 HD3 ARG A 55 -13.980 7.102 0.938 1.00 4.22 H new ATOM 0 HE ARG A 55 -15.855 9.235 1.830 1.00 13.43 H new ATOM 0 HH11 ARG A 55 -13.656 8.048 -0.689 1.00 72.14 H new ATOM 0 HH12 ARG A 55 -14.332 9.111 -1.927 1.00 72.14 H new ATOM 0 HH21 ARG A 55 -16.676 10.608 0.239 1.00 64.24 H new ATOM 0 HH22 ARG A 55 -16.031 10.552 -1.405 1.00 64.24 H new ATOM 945 N VAL A 56 -13.844 4.055 1.216 1.00 42.25 N ATOM 946 CA VAL A 56 -12.768 3.190 1.733 1.00 53.14 C ATOM 947 C VAL A 56 -11.613 4.054 2.236 1.00 34.00 C ATOM 948 O VAL A 56 -11.332 5.127 1.679 1.00 14.01 O ATOM 949 CB VAL A 56 -12.239 2.172 0.653 1.00 33.54 C ATOM 950 CG1 VAL A 56 -13.322 1.136 0.314 1.00 70.02 C ATOM 951 CG2 VAL A 56 -11.734 2.889 -0.630 1.00 10.31 C ATOM 0 H VAL A 56 -13.560 4.631 0.423 1.00 42.25 H new ATOM 0 HA VAL A 56 -13.187 2.604 2.551 1.00 53.14 H new ATOM 0 HB VAL A 56 -11.383 1.654 1.085 1.00 33.54 H new ATOM 0 HG11 VAL A 56 -12.939 0.441 -0.433 1.00 70.02 H new ATOM 0 HG12 VAL A 56 -13.594 0.586 1.215 1.00 70.02 H new ATOM 0 HG13 VAL A 56 -14.202 1.645 -0.080 1.00 70.02 H new ATOM 0 HG21 VAL A 56 -11.379 2.147 -1.346 1.00 10.31 H new ATOM 0 HG22 VAL A 56 -12.550 3.459 -1.073 1.00 10.31 H new ATOM 0 HG23 VAL A 56 -10.918 3.564 -0.372 1.00 10.31 H new ATOM 961 N ARG A 57 -10.985 3.598 3.326 1.00 22.25 N ATOM 962 CA ARG A 57 -9.764 4.194 3.859 1.00 32.21 C ATOM 963 C ARG A 57 -8.745 3.079 4.126 1.00 70.33 C ATOM 964 O ARG A 57 -8.901 2.286 5.061 1.00 31.42 O ATOM 965 CB ARG A 57 -10.090 4.996 5.141 1.00 34.13 C ATOM 966 CG ARG A 57 -8.897 5.785 5.717 1.00 33.43 C ATOM 967 CD ARG A 57 -9.306 6.760 6.837 1.00 52.44 C ATOM 968 NE ARG A 57 -8.195 7.643 7.237 1.00 4.52 N ATOM 969 CZ ARG A 57 -7.508 7.570 8.385 1.00 71.25 C ATOM 970 NH1 ARG A 57 -7.790 6.647 9.299 1.00 43.05 N ATOM 971 NH2 ARG A 57 -6.531 8.428 8.614 1.00 1.34 N ATOM 0 H ARG A 57 -11.317 2.798 3.864 1.00 22.25 H new ATOM 0 HA ARG A 57 -9.332 4.890 3.140 1.00 32.21 H new ATOM 0 HB2 ARG A 57 -10.900 5.692 4.924 1.00 34.13 H new ATOM 0 HB3 ARG A 57 -10.457 4.308 5.902 1.00 34.13 H new ATOM 0 HG2 ARG A 57 -8.158 5.084 6.105 1.00 33.43 H new ATOM 0 HG3 ARG A 57 -8.416 6.344 4.914 1.00 33.43 H new ATOM 0 HD2 ARG A 57 -10.147 7.366 6.500 1.00 52.44 H new ATOM 0 HD3 ARG A 57 -9.648 6.194 7.703 1.00 52.44 H new ATOM 0 HE ARG A 57 -7.925 8.376 6.581 1.00 4.52 H new ATOM 0 HH11 ARG A 57 -8.541 5.977 9.133 1.00 43.05 H new ATOM 0 HH12 ARG A 57 -7.255 6.608 10.167 1.00 43.05 H new ATOM 0 HH21 ARG A 57 -6.304 9.140 7.919 1.00 1.34 H new ATOM 0 HH22 ARG A 57 -6.003 8.379 9.485 1.00 1.34 H new ATOM 985 N ILE A 58 -7.730 3.017 3.259 1.00 62.45 N ATOM 986 CA ILE A 58 -6.637 2.046 3.317 1.00 31.41 C ATOM 987 C ILE A 58 -5.427 2.747 3.964 1.00 44.03 C ATOM 988 O ILE A 58 -5.070 3.844 3.555 1.00 51.13 O ATOM 989 CB ILE A 58 -6.250 1.546 1.866 1.00 50.22 C ATOM 990 CG1 ILE A 58 -7.519 1.086 1.072 1.00 20.43 C ATOM 991 CG2 ILE A 58 -5.191 0.417 1.934 1.00 11.23 C ATOM 992 CD1 ILE A 58 -7.269 0.684 -0.378 1.00 2.02 C ATOM 0 H ILE A 58 -7.645 3.662 2.473 1.00 62.45 H new ATOM 0 HA ILE A 58 -6.943 1.176 3.898 1.00 31.41 H new ATOM 0 HB ILE A 58 -5.809 2.385 1.327 1.00 50.22 H new ATOM 0 HG12 ILE A 58 -7.968 0.241 1.594 1.00 20.43 H new ATOM 0 HG13 ILE A 58 -8.250 1.895 1.087 1.00 20.43 H new ATOM 0 HG21 ILE A 58 -4.942 0.091 0.924 1.00 11.23 H new ATOM 0 HG22 ILE A 58 -4.293 0.790 2.427 1.00 11.23 H new ATOM 0 HG23 ILE A 58 -5.592 -0.425 2.499 1.00 11.23 H new ATOM 0 HD11 ILE A 58 -8.209 0.382 -0.839 1.00 2.02 H new ATOM 0 HD12 ILE A 58 -6.853 1.531 -0.924 1.00 2.02 H new ATOM 0 HD13 ILE A 58 -6.566 -0.149 -0.409 1.00 2.02 H new ATOM 1004 N SER A 59 -4.826 2.131 4.975 1.00 11.44 N ATOM 1005 CA SER A 59 -3.660 2.675 5.677 1.00 70.32 C ATOM 1006 C SER A 59 -2.523 1.662 5.532 1.00 34.44 C ATOM 1007 O SER A 59 -2.545 0.616 6.171 1.00 33.00 O ATOM 1008 CB SER A 59 -4.024 2.922 7.160 1.00 40.03 C ATOM 1009 OG SER A 59 -5.166 3.764 7.276 1.00 22.31 O ATOM 0 H SER A 59 -5.135 1.229 5.338 1.00 11.44 H new ATOM 0 HA SER A 59 -3.346 3.630 5.256 1.00 70.32 H new ATOM 0 HB2 SER A 59 -4.219 1.970 7.653 1.00 40.03 H new ATOM 0 HB3 SER A 59 -3.178 3.379 7.674 1.00 40.03 H new ATOM 0 HG SER A 59 -5.375 3.903 8.223 1.00 22.31 H new ATOM 1015 N ILE A 60 -1.570 1.958 4.642 1.00 71.11 N ATOM 1016 CA ILE A 60 -0.438 1.073 4.337 1.00 72.33 C ATOM 1017 C ILE A 60 0.790 1.550 5.121 1.00 20.41 C ATOM 1018 O ILE A 60 1.390 2.573 4.780 1.00 33.03 O ATOM 1019 CB ILE A 60 -0.143 1.062 2.792 1.00 43.03 C ATOM 1020 CG1 ILE A 60 -1.410 0.610 1.996 1.00 13.34 C ATOM 1021 CG2 ILE A 60 1.082 0.180 2.457 1.00 3.22 C ATOM 1022 CD1 ILE A 60 -1.280 0.683 0.481 1.00 24.40 C ATOM 0 H ILE A 60 -1.562 2.827 4.107 1.00 71.11 H new ATOM 0 HA ILE A 60 -0.683 0.053 4.633 1.00 72.33 H new ATOM 0 HB ILE A 60 0.103 2.079 2.486 1.00 43.03 H new ATOM 0 HG12 ILE A 60 -1.649 -0.416 2.276 1.00 13.34 H new ATOM 0 HG13 ILE A 60 -2.253 1.229 2.303 1.00 13.34 H new ATOM 0 HG21 ILE A 60 1.258 0.195 1.381 1.00 3.22 H new ATOM 0 HG22 ILE A 60 1.961 0.566 2.974 1.00 3.22 H new ATOM 0 HG23 ILE A 60 0.892 -0.844 2.780 1.00 3.22 H new ATOM 0 HD11 ILE A 60 -2.209 0.349 0.020 1.00 24.40 H new ATOM 0 HD12 ILE A 60 -1.075 1.711 0.183 1.00 24.40 H new ATOM 0 HD13 ILE A 60 -0.462 0.041 0.155 1.00 24.40 H new ATOM 1034 N ARG A 61 1.130 0.815 6.186 1.00 4.35 N ATOM 1035 CA ARG A 61 2.223 1.159 7.097 1.00 73.11 C ATOM 1036 C ARG A 61 3.483 0.379 6.663 1.00 43.21 C ATOM 1037 O ARG A 61 3.544 -0.846 6.802 1.00 35.03 O ATOM 1038 CB ARG A 61 1.789 0.829 8.569 1.00 52.20 C ATOM 1039 CG ARG A 61 2.049 1.947 9.595 1.00 32.41 C ATOM 1040 CD ARG A 61 3.538 2.289 9.758 1.00 25.12 C ATOM 1041 NE ARG A 61 3.728 3.449 10.642 1.00 1.01 N ATOM 1042 CZ ARG A 61 4.666 3.571 11.593 1.00 2.21 C ATOM 1043 NH1 ARG A 61 5.547 2.601 11.833 1.00 44.44 N ATOM 1044 NH2 ARG A 61 4.712 4.677 12.313 1.00 1.10 N ATOM 0 H ARG A 61 0.646 -0.046 6.441 1.00 4.35 H new ATOM 0 HA ARG A 61 2.455 2.223 7.059 1.00 73.11 H new ATOM 0 HB2 ARG A 61 0.725 0.594 8.573 1.00 52.20 H new ATOM 0 HB3 ARG A 61 2.315 -0.069 8.893 1.00 52.20 H new ATOM 0 HG2 ARG A 61 1.509 2.843 9.290 1.00 32.41 H new ATOM 0 HG3 ARG A 61 1.645 1.645 10.561 1.00 32.41 H new ATOM 0 HD2 ARG A 61 4.068 1.428 10.166 1.00 25.12 H new ATOM 0 HD3 ARG A 61 3.974 2.499 8.781 1.00 25.12 H new ATOM 0 HE ARG A 61 3.087 4.233 10.521 1.00 1.01 H new ATOM 0 HH11 ARG A 61 5.518 1.740 11.287 1.00 44.44 H new ATOM 0 HH12 ARG A 61 6.250 2.720 12.562 1.00 44.44 H new ATOM 0 HH21 ARG A 61 4.040 5.425 12.143 1.00 1.10 H new ATOM 0 HH22 ARG A 61 5.420 4.783 13.040 1.00 1.10 H new ATOM 1058 N VAL A 62 4.463 1.110 6.131 1.00 12.24 N ATOM 1059 CA VAL A 62 5.687 0.556 5.546 1.00 61.42 C ATOM 1060 C VAL A 62 6.812 0.543 6.591 1.00 23.30 C ATOM 1061 O VAL A 62 7.093 1.563 7.229 1.00 40.02 O ATOM 1062 CB VAL A 62 6.088 1.410 4.280 1.00 21.21 C ATOM 1063 CG1 VAL A 62 7.551 1.189 3.836 1.00 43.51 C ATOM 1064 CG2 VAL A 62 5.114 1.106 3.122 1.00 14.52 C ATOM 0 H VAL A 62 4.428 2.129 6.093 1.00 12.24 H new ATOM 0 HA VAL A 62 5.516 -0.474 5.232 1.00 61.42 H new ATOM 0 HB VAL A 62 6.014 2.460 4.561 1.00 21.21 H new ATOM 0 HG11 VAL A 62 7.763 1.804 2.962 1.00 43.51 H new ATOM 0 HG12 VAL A 62 8.223 1.468 4.647 1.00 43.51 H new ATOM 0 HG13 VAL A 62 7.700 0.139 3.585 1.00 43.51 H new ATOM 0 HG21 VAL A 62 5.392 1.696 2.249 1.00 14.52 H new ATOM 0 HG22 VAL A 62 5.163 0.046 2.874 1.00 14.52 H new ATOM 0 HG23 VAL A 62 4.098 1.361 3.424 1.00 14.52 H new ATOM 1074 N LYS A 63 7.425 -0.639 6.776 1.00 52.14 N ATOM 1075 CA LYS A 63 8.553 -0.831 7.694 1.00 25.31 C ATOM 1076 C LYS A 63 9.856 -0.524 6.944 1.00 41.04 C ATOM 1077 O LYS A 63 10.298 -1.337 6.119 1.00 22.02 O ATOM 1078 CB LYS A 63 8.550 -2.297 8.211 1.00 14.05 C ATOM 1079 CG LYS A 63 9.517 -2.619 9.378 1.00 61.05 C ATOM 1080 CD LYS A 63 9.103 -1.972 10.721 1.00 51.03 C ATOM 1081 CE LYS A 63 7.713 -2.426 11.225 1.00 70.04 C ATOM 1082 NZ LYS A 63 7.683 -3.865 11.604 1.00 72.43 N ATOM 0 H LYS A 63 7.148 -1.491 6.288 1.00 52.14 H new ATOM 0 HA LYS A 63 8.467 -0.161 8.550 1.00 25.31 H new ATOM 0 HB2 LYS A 63 7.537 -2.545 8.529 1.00 14.05 H new ATOM 0 HB3 LYS A 63 8.792 -2.954 7.376 1.00 14.05 H new ATOM 0 HG2 LYS A 63 9.571 -3.700 9.506 1.00 61.05 H new ATOM 0 HG3 LYS A 63 10.518 -2.279 9.114 1.00 61.05 H new ATOM 0 HD2 LYS A 63 9.851 -2.213 11.477 1.00 51.03 H new ATOM 0 HD3 LYS A 63 9.103 -0.888 10.608 1.00 51.03 H new ATOM 0 HE2 LYS A 63 7.428 -1.821 12.086 1.00 70.04 H new ATOM 0 HE3 LYS A 63 6.971 -2.243 10.447 1.00 70.04 H new ATOM 0 HZ1 LYS A 63 6.853 -4.320 11.173 1.00 72.43 H new ATOM 0 HZ2 LYS A 63 8.549 -4.331 11.265 1.00 72.43 H new ATOM 0 HZ3 LYS A 63 7.626 -3.950 12.639 1.00 72.43 H new ATOM 1096 N HIS A 64 10.430 0.665 7.191 1.00 44.30 N ATOM 1097 CA HIS A 64 11.701 1.082 6.569 1.00 62.01 C ATOM 1098 C HIS A 64 12.875 0.280 7.171 1.00 72.22 C ATOM 1099 O HIS A 64 12.906 0.051 8.388 1.00 2.13 O ATOM 1100 CB HIS A 64 11.912 2.613 6.727 1.00 42.23 C ATOM 1101 CG HIS A 64 10.889 3.451 5.987 1.00 11.30 C ATOM 1102 ND1 HIS A 64 10.139 4.455 6.575 1.00 62.15 N ATOM 1103 CD2 HIS A 64 10.513 3.436 4.682 1.00 75.31 C ATOM 1104 CE1 HIS A 64 9.356 5.013 5.668 1.00 42.33 C ATOM 1105 NE2 HIS A 64 9.564 4.414 4.514 1.00 72.53 N ATOM 0 H HIS A 64 10.031 1.360 7.822 1.00 44.30 H new ATOM 0 HA HIS A 64 11.661 0.868 5.501 1.00 62.01 H new ATOM 0 HB2 HIS A 64 11.879 2.868 7.786 1.00 42.23 H new ATOM 0 HB3 HIS A 64 12.908 2.872 6.368 1.00 42.23 H new ATOM 0 HD1 HIS A 64 10.184 4.723 7.558 1.00 62.15 H new ATOM 0 HD2 HIS A 64 10.891 2.775 3.916 1.00 75.31 H new ATOM 0 HE1 HIS A 64 8.663 5.823 5.844 1.00 42.33 H new ATOM 1114 N SER A 65 13.839 -0.100 6.305 1.00 71.02 N ATOM 1115 CA SER A 65 14.887 -1.103 6.598 1.00 63.14 C ATOM 1116 C SER A 65 15.807 -0.674 7.755 1.00 52.22 C ATOM 1117 O SER A 65 16.062 -1.455 8.688 1.00 4.23 O ATOM 1118 CB SER A 65 15.722 -1.369 5.318 1.00 64.31 C ATOM 1119 OG SER A 65 14.885 -1.703 4.214 1.00 25.24 O ATOM 0 H SER A 65 13.912 0.289 5.365 1.00 71.02 H new ATOM 0 HA SER A 65 14.388 -2.019 6.915 1.00 63.14 H new ATOM 0 HB2 SER A 65 16.312 -0.485 5.076 1.00 64.31 H new ATOM 0 HB3 SER A 65 16.426 -2.181 5.502 1.00 64.31 H new ATOM 0 HG SER A 65 14.378 -0.912 3.937 1.00 25.24 H new ATOM 1125 N ASP A 66 16.267 0.584 7.713 1.00 53.43 N ATOM 1126 CA ASP A 66 17.278 1.096 8.659 1.00 34.11 C ATOM 1127 C ASP A 66 16.970 2.556 9.062 1.00 24.32 C ATOM 1128 O ASP A 66 16.359 3.302 8.288 1.00 51.35 O ATOM 1129 CB ASP A 66 18.687 0.962 8.023 1.00 41.05 C ATOM 1130 CG ASP A 66 19.835 1.303 8.987 1.00 25.41 C ATOM 1131 OD1 ASP A 66 20.209 0.444 9.814 1.00 21.41 O ATOM 1132 OD2 ASP A 66 20.355 2.432 8.937 1.00 62.05 O ATOM 0 H ASP A 66 15.954 1.273 7.030 1.00 53.43 H new ATOM 0 HA ASP A 66 17.250 0.504 9.574 1.00 34.11 H new ATOM 0 HB2 ASP A 66 18.818 -0.058 7.663 1.00 41.05 H new ATOM 0 HB3 ASP A 66 18.747 1.617 7.154 1.00 41.05 H new ATOM 1137 N ALA A 67 17.428 2.953 10.275 1.00 74.44 N ATOM 1138 CA ALA A 67 17.145 4.276 10.880 1.00 42.03 C ATOM 1139 C ALA A 67 17.952 5.416 10.228 1.00 53.33 C ATOM 1140 O ALA A 67 17.645 6.598 10.435 1.00 13.24 O ATOM 1141 CB ALA A 67 17.396 4.219 12.395 1.00 30.22 C ATOM 0 H ALA A 67 18.009 2.358 10.865 1.00 74.44 H new ATOM 0 HA ALA A 67 16.095 4.503 10.695 1.00 42.03 H new ATOM 0 HB1 ALA A 67 17.187 5.194 12.835 1.00 30.22 H new ATOM 0 HB2 ALA A 67 16.743 3.470 12.844 1.00 30.22 H new ATOM 0 HB3 ALA A 67 18.436 3.952 12.582 1.00 30.22 H new ATOM 1147 N ALA A 68 18.994 5.068 9.468 1.00 11.21 N ATOM 1148 CA ALA A 68 19.736 6.035 8.642 1.00 22.43 C ATOM 1149 C ALA A 68 19.049 6.191 7.275 1.00 20.11 C ATOM 1150 O ALA A 68 18.837 7.313 6.800 1.00 54.22 O ATOM 1151 CB ALA A 68 21.202 5.606 8.481 1.00 64.32 C ATOM 0 H ALA A 68 19.349 4.114 9.405 1.00 11.21 H new ATOM 0 HA ALA A 68 19.732 7.003 9.144 1.00 22.43 H new ATOM 0 HB1 ALA A 68 21.729 6.336 7.867 1.00 64.32 H new ATOM 0 HB2 ALA A 68 21.674 5.548 9.462 1.00 64.32 H new ATOM 0 HB3 ALA A 68 21.244 4.629 8.000 1.00 64.32 H new ATOM 1157 N GLU A 69 18.668 5.037 6.677 1.00 62.04 N ATOM 1158 CA GLU A 69 18.045 4.978 5.336 1.00 74.34 C ATOM 1159 C GLU A 69 16.649 5.633 5.303 1.00 75.22 C ATOM 1160 O GLU A 69 16.301 6.254 4.311 1.00 41.13 O ATOM 1161 CB GLU A 69 17.905 3.515 4.848 1.00 25.41 C ATOM 1162 CG GLU A 69 19.225 2.769 4.588 1.00 2.53 C ATOM 1163 CD GLU A 69 18.998 1.466 3.812 1.00 0.43 C ATOM 1164 OE1 GLU A 69 18.529 0.477 4.416 1.00 21.51 O ATOM 1165 OE2 GLU A 69 19.238 1.431 2.581 1.00 12.40 O ATOM 0 H GLU A 69 18.785 4.122 7.112 1.00 62.04 H new ATOM 0 HA GLU A 69 18.711 5.534 4.676 1.00 74.34 H new ATOM 0 HB2 GLU A 69 17.334 2.957 5.590 1.00 25.41 H new ATOM 0 HB3 GLU A 69 17.320 3.513 3.928 1.00 25.41 H new ATOM 0 HG2 GLU A 69 19.902 3.413 4.027 1.00 2.53 H new ATOM 0 HG3 GLU A 69 19.710 2.547 5.538 1.00 2.53 H new ATOM 1172 N GLU A 70 15.902 5.489 6.416 1.00 14.54 N ATOM 1173 CA GLU A 70 14.452 5.796 6.525 1.00 23.32 C ATOM 1174 C GLU A 70 14.009 7.126 5.854 1.00 31.13 C ATOM 1175 O GLU A 70 12.937 7.179 5.248 1.00 12.33 O ATOM 1176 CB GLU A 70 14.046 5.827 8.015 1.00 23.01 C ATOM 1177 CG GLU A 70 14.810 6.878 8.844 1.00 42.44 C ATOM 1178 CD GLU A 70 14.157 7.174 10.192 1.00 44.34 C ATOM 1179 OE1 GLU A 70 14.407 6.436 11.161 1.00 20.25 O ATOM 1180 OE2 GLU A 70 13.383 8.149 10.288 1.00 54.14 O ATOM 0 H GLU A 70 16.297 5.146 7.292 1.00 14.54 H new ATOM 0 HA GLU A 70 13.944 5.001 5.979 1.00 23.32 H new ATOM 0 HB2 GLU A 70 12.977 6.028 8.087 1.00 23.01 H new ATOM 0 HB3 GLU A 70 14.215 4.842 8.449 1.00 23.01 H new ATOM 0 HG2 GLU A 70 15.829 6.529 9.010 1.00 42.44 H new ATOM 0 HG3 GLU A 70 14.880 7.803 8.271 1.00 42.44 H new ATOM 1187 N LYS A 71 14.850 8.174 5.965 1.00 63.34 N ATOM 1188 CA LYS A 71 14.550 9.516 5.432 1.00 62.35 C ATOM 1189 C LYS A 71 14.509 9.503 3.884 1.00 3.31 C ATOM 1190 O LYS A 71 13.606 10.087 3.267 1.00 44.23 O ATOM 1191 CB LYS A 71 15.586 10.546 5.978 1.00 71.41 C ATOM 1192 CG LYS A 71 17.058 10.232 5.622 1.00 5.45 C ATOM 1193 CD LYS A 71 18.081 11.214 6.242 1.00 31.43 C ATOM 1194 CE LYS A 71 18.128 11.142 7.777 1.00 3.12 C ATOM 1195 NZ LYS A 71 18.490 9.779 8.255 1.00 32.11 N ATOM 0 H LYS A 71 15.757 8.112 6.427 1.00 63.34 H new ATOM 0 HA LYS A 71 13.560 9.820 5.771 1.00 62.35 H new ATOM 0 HB2 LYS A 71 15.335 11.533 5.590 1.00 71.41 H new ATOM 0 HB3 LYS A 71 15.491 10.596 7.063 1.00 71.41 H new ATOM 0 HG2 LYS A 71 17.293 9.221 5.955 1.00 5.45 H new ATOM 0 HG3 LYS A 71 17.169 10.245 4.538 1.00 5.45 H new ATOM 0 HD2 LYS A 71 19.072 10.998 5.843 1.00 31.43 H new ATOM 0 HD3 LYS A 71 17.830 12.231 5.939 1.00 31.43 H new ATOM 0 HE2 LYS A 71 18.853 11.864 8.153 1.00 3.12 H new ATOM 0 HE3 LYS A 71 17.157 11.424 8.184 1.00 3.12 H new ATOM 0 HZ1 LYS A 71 17.688 9.369 8.775 1.00 32.11 H new ATOM 0 HZ2 LYS A 71 18.720 9.175 7.440 1.00 32.11 H new ATOM 0 HZ3 LYS A 71 19.316 9.840 8.885 1.00 32.11 H new ATOM 1209 N LYS A 72 15.469 8.788 3.275 1.00 12.14 N ATOM 1210 CA LYS A 72 15.528 8.572 1.823 1.00 30.02 C ATOM 1211 C LYS A 72 14.507 7.494 1.413 1.00 63.04 C ATOM 1212 O LYS A 72 13.873 7.587 0.350 1.00 11.41 O ATOM 1213 CB LYS A 72 16.969 8.141 1.413 1.00 75.22 C ATOM 1214 CG LYS A 72 17.153 7.745 -0.074 1.00 65.31 C ATOM 1215 CD LYS A 72 16.895 8.906 -1.062 1.00 55.43 C ATOM 1216 CE LYS A 72 17.908 10.053 -0.926 1.00 73.31 C ATOM 1217 NZ LYS A 72 17.663 11.142 -1.916 1.00 5.01 N ATOM 0 H LYS A 72 16.232 8.340 3.783 1.00 12.14 H new ATOM 0 HA LYS A 72 15.280 9.501 1.309 1.00 30.02 H new ATOM 0 HB2 LYS A 72 17.652 8.960 1.639 1.00 75.22 H new ATOM 0 HB3 LYS A 72 17.267 7.297 2.035 1.00 75.22 H new ATOM 0 HG2 LYS A 72 18.168 7.374 -0.219 1.00 65.31 H new ATOM 0 HG3 LYS A 72 16.477 6.923 -0.308 1.00 65.31 H new ATOM 0 HD2 LYS A 72 16.927 8.521 -2.081 1.00 55.43 H new ATOM 0 HD3 LYS A 72 15.890 9.296 -0.900 1.00 55.43 H new ATOM 0 HE2 LYS A 72 17.857 10.463 0.083 1.00 73.31 H new ATOM 0 HE3 LYS A 72 18.917 9.662 -1.060 1.00 73.31 H new ATOM 0 HZ1 LYS A 72 18.370 11.894 -1.787 1.00 5.01 H new ATOM 0 HZ2 LYS A 72 17.738 10.758 -2.880 1.00 5.01 H new ATOM 0 HZ3 LYS A 72 16.711 11.534 -1.772 1.00 5.01 H new ATOM 1231 N GLU A 73 14.336 6.487 2.298 1.00 10.02 N ATOM 1232 CA GLU A 73 13.487 5.318 2.040 1.00 73.33 C ATOM 1233 C GLU A 73 11.996 5.677 2.138 1.00 13.12 C ATOM 1234 O GLU A 73 11.130 4.925 1.665 1.00 23.51 O ATOM 1235 CB GLU A 73 13.846 4.144 2.985 1.00 23.35 C ATOM 1236 CG GLU A 73 13.333 2.774 2.477 1.00 52.23 C ATOM 1237 CD GLU A 73 13.789 1.574 3.308 1.00 34.21 C ATOM 1238 OE1 GLU A 73 14.956 1.554 3.758 1.00 72.22 O ATOM 1239 OE2 GLU A 73 12.995 0.630 3.486 1.00 52.34 O ATOM 0 H GLU A 73 14.787 6.469 3.212 1.00 10.02 H new ATOM 0 HA GLU A 73 13.679 4.990 1.018 1.00 73.33 H new ATOM 0 HB2 GLU A 73 14.929 4.099 3.102 1.00 23.35 H new ATOM 0 HB3 GLU A 73 13.426 4.339 3.972 1.00 23.35 H new ATOM 0 HG2 GLU A 73 12.243 2.793 2.459 1.00 52.23 H new ATOM 0 HG3 GLU A 73 13.667 2.635 1.449 1.00 52.23 H new ATOM 1246 N ALA A 74 11.713 6.845 2.732 1.00 31.55 N ATOM 1247 CA ALA A 74 10.378 7.425 2.739 1.00 13.11 C ATOM 1248 C ALA A 74 9.996 7.795 1.302 1.00 44.04 C ATOM 1249 O ALA A 74 9.097 7.181 0.740 1.00 63.03 O ATOM 1250 CB ALA A 74 10.320 8.641 3.673 1.00 34.43 C ATOM 0 H ALA A 74 12.409 7.409 3.219 1.00 31.55 H new ATOM 0 HA ALA A 74 9.659 6.700 3.120 1.00 13.11 H new ATOM 0 HB1 ALA A 74 9.314 9.059 3.663 1.00 34.43 H new ATOM 0 HB2 ALA A 74 10.576 8.333 4.687 1.00 34.43 H new ATOM 0 HB3 ALA A 74 11.030 9.395 3.333 1.00 34.43 H new ATOM 1256 N LYS A 75 10.766 8.724 0.686 1.00 4.00 N ATOM 1257 CA LYS A 75 10.514 9.190 -0.697 1.00 72.43 C ATOM 1258 C LYS A 75 10.713 8.052 -1.731 1.00 23.55 C ATOM 1259 O LYS A 75 10.130 8.083 -2.824 1.00 4.23 O ATOM 1260 CB LYS A 75 11.417 10.409 -1.041 1.00 13.11 C ATOM 1261 CG LYS A 75 11.048 11.109 -2.371 1.00 54.44 C ATOM 1262 CD LYS A 75 11.949 12.322 -2.699 1.00 33.50 C ATOM 1263 CE LYS A 75 11.573 12.978 -4.039 1.00 43.44 C ATOM 1264 NZ LYS A 75 11.624 12.004 -5.160 1.00 51.54 N ATOM 0 H LYS A 75 11.571 9.167 1.129 1.00 4.00 H new ATOM 0 HA LYS A 75 9.472 9.504 -0.751 1.00 72.43 H new ATOM 0 HB2 LYS A 75 11.354 11.135 -0.230 1.00 13.11 H new ATOM 0 HB3 LYS A 75 12.454 10.077 -1.092 1.00 13.11 H new ATOM 0 HG2 LYS A 75 11.115 10.386 -3.184 1.00 54.44 H new ATOM 0 HG3 LYS A 75 10.010 11.439 -2.323 1.00 54.44 H new ATOM 0 HD2 LYS A 75 11.869 13.059 -1.900 1.00 33.50 H new ATOM 0 HD3 LYS A 75 12.990 12.001 -2.733 1.00 33.50 H new ATOM 0 HE2 LYS A 75 10.571 13.400 -3.969 1.00 43.44 H new ATOM 0 HE3 LYS A 75 12.254 13.804 -4.243 1.00 43.44 H new ATOM 0 HZ1 LYS A 75 11.584 12.514 -6.065 1.00 51.54 H new ATOM 0 HZ2 LYS A 75 12.509 11.461 -5.108 1.00 51.54 H new ATOM 0 HZ3 LYS A 75 10.815 11.354 -5.092 1.00 51.54 H new ATOM 1278 N LYS A 76 11.534 7.049 -1.353 1.00 32.20 N ATOM 1279 CA LYS A 76 11.733 5.806 -2.132 1.00 65.55 C ATOM 1280 C LYS A 76 10.403 5.057 -2.308 1.00 55.24 C ATOM 1281 O LYS A 76 9.927 4.863 -3.432 1.00 30.01 O ATOM 1282 CB LYS A 76 12.760 4.879 -1.419 1.00 25.24 C ATOM 1283 CG LYS A 76 12.874 3.445 -1.991 1.00 62.25 C ATOM 1284 CD LYS A 76 13.916 2.536 -1.271 1.00 41.31 C ATOM 1285 CE LYS A 76 15.390 2.917 -1.542 1.00 43.43 C ATOM 1286 NZ LYS A 76 15.805 4.168 -0.851 1.00 2.34 N ATOM 0 H LYS A 76 12.082 7.078 -0.493 1.00 32.20 H new ATOM 0 HA LYS A 76 12.117 6.081 -3.114 1.00 65.55 H new ATOM 0 HB2 LYS A 76 13.742 5.350 -1.467 1.00 25.24 H new ATOM 0 HB3 LYS A 76 12.491 4.810 -0.365 1.00 25.24 H new ATOM 0 HG2 LYS A 76 11.896 2.968 -1.935 1.00 62.25 H new ATOM 0 HG3 LYS A 76 13.137 3.510 -3.047 1.00 62.25 H new ATOM 0 HD2 LYS A 76 13.734 2.576 -0.197 1.00 41.31 H new ATOM 0 HD3 LYS A 76 13.757 1.504 -1.583 1.00 41.31 H new ATOM 0 HE2 LYS A 76 16.036 2.100 -1.220 1.00 43.43 H new ATOM 0 HE3 LYS A 76 15.537 3.036 -2.615 1.00 43.43 H new ATOM 0 HZ1 LYS A 76 16.782 4.068 -0.509 1.00 2.34 H new ATOM 0 HZ2 LYS A 76 15.751 4.966 -1.516 1.00 2.34 H new ATOM 0 HZ3 LYS A 76 15.173 4.345 -0.045 1.00 2.34 H new ATOM 1300 N PHE A 77 9.802 4.671 -1.173 1.00 43.34 N ATOM 1301 CA PHE A 77 8.582 3.842 -1.148 1.00 43.23 C ATOM 1302 C PHE A 77 7.353 4.706 -1.480 1.00 50.33 C ATOM 1303 O PHE A 77 6.318 4.185 -1.901 1.00 41.33 O ATOM 1304 CB PHE A 77 8.430 3.115 0.229 1.00 63.42 C ATOM 1305 CG PHE A 77 7.877 1.688 0.103 1.00 12.45 C ATOM 1306 CD1 PHE A 77 6.535 1.461 -0.195 1.00 62.34 C ATOM 1307 CD2 PHE A 77 8.703 0.572 0.275 1.00 61.04 C ATOM 1308 CE1 PHE A 77 6.040 0.176 -0.337 1.00 24.25 C ATOM 1309 CE2 PHE A 77 8.203 -0.711 0.128 1.00 73.04 C ATOM 1310 CZ PHE A 77 6.869 -0.906 -0.162 1.00 52.40 C ATOM 0 H PHE A 77 10.145 4.923 -0.246 1.00 43.34 H new ATOM 0 HA PHE A 77 8.663 3.067 -1.910 1.00 43.23 H new ATOM 0 HB2 PHE A 77 9.401 3.079 0.722 1.00 63.42 H new ATOM 0 HB3 PHE A 77 7.769 3.699 0.869 1.00 63.42 H new ATOM 0 HD1 PHE A 77 5.869 2.302 -0.317 1.00 62.34 H new ATOM 0 HD2 PHE A 77 9.744 0.713 0.526 1.00 61.04 H new ATOM 0 HE1 PHE A 77 5.000 0.024 -0.586 1.00 24.25 H new ATOM 0 HE2 PHE A 77 8.860 -1.561 0.241 1.00 73.04 H new ATOM 0 HZ PHE A 77 6.476 -1.908 -0.251 1.00 52.40 H new ATOM 1320 N ALA A 78 7.493 6.029 -1.280 1.00 62.02 N ATOM 1321 CA ALA A 78 6.489 7.017 -1.679 1.00 43.34 C ATOM 1322 C ALA A 78 6.336 7.027 -3.197 1.00 11.01 C ATOM 1323 O ALA A 78 5.218 7.044 -3.712 1.00 42.21 O ATOM 1324 CB ALA A 78 6.852 8.412 -1.155 1.00 34.01 C ATOM 0 H ALA A 78 8.313 6.439 -0.834 1.00 62.02 H new ATOM 0 HA ALA A 78 5.533 6.737 -1.236 1.00 43.34 H new ATOM 0 HB1 ALA A 78 6.090 9.127 -1.465 1.00 34.01 H new ATOM 0 HB2 ALA A 78 6.906 8.389 -0.067 1.00 34.01 H new ATOM 0 HB3 ALA A 78 7.818 8.713 -1.560 1.00 34.01 H new ATOM 1330 N ALA A 79 7.490 6.982 -3.894 1.00 0.21 N ATOM 1331 CA ALA A 79 7.551 6.888 -5.355 1.00 42.22 C ATOM 1332 C ALA A 79 6.919 5.575 -5.843 1.00 41.12 C ATOM 1333 O ALA A 79 6.053 5.588 -6.720 1.00 5.33 O ATOM 1334 CB ALA A 79 9.010 6.997 -5.813 1.00 5.22 C ATOM 0 H ALA A 79 8.408 7.010 -3.450 1.00 0.21 H new ATOM 0 HA ALA A 79 6.981 7.709 -5.790 1.00 42.22 H new ATOM 0 HB1 ALA A 79 9.056 6.927 -6.900 1.00 5.22 H new ATOM 0 HB2 ALA A 79 9.421 7.954 -5.493 1.00 5.22 H new ATOM 0 HB3 ALA A 79 9.591 6.187 -5.372 1.00 5.22 H new ATOM 1340 N ILE A 80 7.325 4.459 -5.201 1.00 43.22 N ATOM 1341 CA ILE A 80 6.911 3.097 -5.592 1.00 31.23 C ATOM 1342 C ILE A 80 5.390 2.912 -5.457 1.00 71.21 C ATOM 1343 O ILE A 80 4.729 2.511 -6.421 1.00 71.43 O ATOM 1344 CB ILE A 80 7.701 2.005 -4.763 1.00 22.40 C ATOM 1345 CG1 ILE A 80 9.226 2.100 -5.083 1.00 52.52 C ATOM 1346 CG2 ILE A 80 7.178 0.568 -5.011 1.00 23.34 C ATOM 1347 CD1 ILE A 80 9.581 1.982 -6.571 1.00 20.22 C ATOM 0 H ILE A 80 7.950 4.479 -4.395 1.00 43.22 H new ATOM 0 HA ILE A 80 7.162 2.962 -6.644 1.00 31.23 H new ATOM 0 HB ILE A 80 7.535 2.215 -3.706 1.00 22.40 H new ATOM 0 HG12 ILE A 80 9.603 3.052 -4.709 1.00 52.52 H new ATOM 0 HG13 ILE A 80 9.747 1.314 -4.536 1.00 52.52 H new ATOM 0 HG21 ILE A 80 7.758 -0.138 -4.416 1.00 23.34 H new ATOM 0 HG22 ILE A 80 6.128 0.508 -4.724 1.00 23.34 H new ATOM 0 HG23 ILE A 80 7.280 0.321 -6.068 1.00 23.34 H new ATOM 0 HD11 ILE A 80 10.661 2.060 -6.695 1.00 20.22 H new ATOM 0 HD12 ILE A 80 9.240 1.019 -6.951 1.00 20.22 H new ATOM 0 HD13 ILE A 80 9.094 2.784 -7.126 1.00 20.22 H new ATOM 1359 N LEU A 81 4.839 3.275 -4.281 1.00 40.40 N ATOM 1360 CA LEU A 81 3.395 3.140 -4.004 1.00 43.24 C ATOM 1361 C LEU A 81 2.571 4.097 -4.886 1.00 2.12 C ATOM 1362 O LEU A 81 1.527 3.697 -5.392 1.00 13.53 O ATOM 1363 CB LEU A 81 3.083 3.345 -2.482 1.00 13.23 C ATOM 1364 CG LEU A 81 3.067 2.040 -1.620 1.00 72.42 C ATOM 1365 CD1 LEU A 81 2.967 2.352 -0.114 1.00 52.42 C ATOM 1366 CD2 LEU A 81 1.920 1.098 -2.062 1.00 74.11 C ATOM 0 H LEU A 81 5.375 3.665 -3.506 1.00 40.40 H new ATOM 0 HA LEU A 81 3.101 2.122 -4.259 1.00 43.24 H new ATOM 0 HB2 LEU A 81 3.824 4.027 -2.065 1.00 13.23 H new ATOM 0 HB3 LEU A 81 2.113 3.833 -2.390 1.00 13.23 H new ATOM 0 HG LEU A 81 4.015 1.529 -1.788 1.00 72.42 H new ATOM 0 HD11 LEU A 81 2.959 1.420 0.451 1.00 52.42 H new ATOM 0 HD12 LEU A 81 3.824 2.953 0.191 1.00 52.42 H new ATOM 0 HD13 LEU A 81 2.048 2.904 0.083 1.00 52.42 H new ATOM 0 HD21 LEU A 81 1.931 0.198 -1.447 1.00 74.11 H new ATOM 0 HD22 LEU A 81 0.964 1.608 -1.942 1.00 74.11 H new ATOM 0 HD23 LEU A 81 2.057 0.824 -3.108 1.00 74.11 H new ATOM 1378 N ASN A 82 3.079 5.337 -5.101 1.00 21.21 N ATOM 1379 CA ASN A 82 2.383 6.366 -5.918 1.00 35.44 C ATOM 1380 C ASN A 82 2.196 5.874 -7.369 1.00 21.23 C ATOM 1381 O ASN A 82 1.150 6.105 -7.990 1.00 44.23 O ATOM 1382 CB ASN A 82 3.155 7.715 -5.880 1.00 51.12 C ATOM 1383 CG ASN A 82 2.467 8.834 -6.670 1.00 73.01 C ATOM 1384 OD1 ASN A 82 1.562 9.497 -6.163 1.00 24.41 O ATOM 1385 ND2 ASN A 82 2.898 9.065 -7.900 1.00 10.01 N ATOM 0 H ASN A 82 3.971 5.650 -4.719 1.00 21.21 H new ATOM 0 HA ASN A 82 1.395 6.534 -5.489 1.00 35.44 H new ATOM 0 HB2 ASN A 82 3.269 8.030 -4.843 1.00 51.12 H new ATOM 0 HB3 ASN A 82 4.158 7.562 -6.279 1.00 51.12 H new ATOM 0 HD21 ASN A 82 2.478 9.810 -8.456 1.00 10.01 H new ATOM 0 HD22 ASN A 82 3.650 8.498 -8.292 1.00 10.01 H new ATOM 1392 N LYS A 83 3.212 5.144 -7.869 1.00 2.31 N ATOM 1393 CA LYS A 83 3.167 4.521 -9.201 1.00 12.13 C ATOM 1394 C LYS A 83 2.187 3.333 -9.223 1.00 11.50 C ATOM 1395 O LYS A 83 1.474 3.160 -10.198 1.00 44.25 O ATOM 1396 CB LYS A 83 4.581 4.073 -9.657 1.00 20.14 C ATOM 1397 CG LYS A 83 5.589 5.229 -9.819 1.00 41.41 C ATOM 1398 CD LYS A 83 5.152 6.267 -10.881 1.00 33.12 C ATOM 1399 CE LYS A 83 6.071 7.496 -10.912 1.00 15.51 C ATOM 1400 NZ LYS A 83 7.479 7.137 -11.216 1.00 1.44 N ATOM 0 H LYS A 83 4.081 4.972 -7.363 1.00 2.31 H new ATOM 0 HA LYS A 83 2.807 5.271 -9.905 1.00 12.13 H new ATOM 0 HB2 LYS A 83 4.975 3.361 -8.932 1.00 20.14 H new ATOM 0 HB3 LYS A 83 4.494 3.546 -10.607 1.00 20.14 H new ATOM 0 HG2 LYS A 83 5.716 5.730 -8.859 1.00 41.41 H new ATOM 0 HG3 LYS A 83 6.561 4.820 -10.096 1.00 41.41 H new ATOM 0 HD2 LYS A 83 5.146 5.796 -11.864 1.00 33.12 H new ATOM 0 HD3 LYS A 83 4.130 6.586 -10.674 1.00 33.12 H new ATOM 0 HE2 LYS A 83 5.708 8.200 -11.661 1.00 15.51 H new ATOM 0 HE3 LYS A 83 6.027 8.004 -9.949 1.00 15.51 H new ATOM 0 HZ1 LYS A 83 8.049 8.003 -11.293 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 7.858 6.540 -10.453 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 7.518 6.616 -12.115 1.00 1.44 H new ATOM 1414 N VAL A 84 2.130 2.554 -8.117 1.00 44.23 N ATOM 1415 CA VAL A 84 1.213 1.392 -7.977 1.00 44.51 C ATOM 1416 C VAL A 84 -0.260 1.863 -7.990 1.00 20.13 C ATOM 1417 O VAL A 84 -1.135 1.226 -8.589 1.00 25.43 O ATOM 1418 CB VAL A 84 1.523 0.580 -6.656 1.00 31.22 C ATOM 1419 CG1 VAL A 84 0.445 -0.486 -6.350 1.00 12.41 C ATOM 1420 CG2 VAL A 84 2.919 -0.073 -6.734 1.00 61.32 C ATOM 0 H VAL A 84 2.716 2.711 -7.297 1.00 44.23 H new ATOM 0 HA VAL A 84 1.375 0.728 -8.826 1.00 44.51 H new ATOM 0 HB VAL A 84 1.509 1.296 -5.834 1.00 31.22 H new ATOM 0 HG11 VAL A 84 0.706 -1.015 -5.433 1.00 12.41 H new ATOM 0 HG12 VAL A 84 -0.523 0.000 -6.226 1.00 12.41 H new ATOM 0 HG13 VAL A 84 0.391 -1.196 -7.175 1.00 12.41 H new ATOM 0 HG21 VAL A 84 3.113 -0.627 -5.816 1.00 61.32 H new ATOM 0 HG22 VAL A 84 2.955 -0.755 -7.584 1.00 61.32 H new ATOM 0 HG23 VAL A 84 3.676 0.701 -6.858 1.00 61.32 H new ATOM 1430 N PHE A 85 -0.492 3.011 -7.340 1.00 10.54 N ATOM 1431 CA PHE A 85 -1.798 3.693 -7.320 1.00 73.42 C ATOM 1432 C PHE A 85 -2.183 4.162 -8.740 1.00 64.42 C ATOM 1433 O PHE A 85 -3.354 4.099 -9.126 1.00 63.21 O ATOM 1434 CB PHE A 85 -1.769 4.879 -6.316 1.00 13.54 C ATOM 1435 CG PHE A 85 -1.478 4.467 -4.865 1.00 52.35 C ATOM 1436 CD1 PHE A 85 -1.949 3.255 -4.347 1.00 21.24 C ATOM 1437 CD2 PHE A 85 -0.708 5.279 -4.031 1.00 54.14 C ATOM 1438 CE1 PHE A 85 -1.662 2.878 -3.048 1.00 32.25 C ATOM 1439 CE2 PHE A 85 -0.429 4.901 -2.732 1.00 23.41 C ATOM 1440 CZ PHE A 85 -0.896 3.698 -2.246 1.00 4.42 C ATOM 0 H PHE A 85 0.228 3.499 -6.807 1.00 10.54 H new ATOM 0 HA PHE A 85 -2.561 2.990 -6.986 1.00 73.42 H new ATOM 0 HB2 PHE A 85 -1.012 5.595 -6.638 1.00 13.54 H new ATOM 0 HB3 PHE A 85 -2.729 5.393 -6.350 1.00 13.54 H new ATOM 0 HD1 PHE A 85 -2.545 2.605 -4.971 1.00 21.24 H new ATOM 0 HD2 PHE A 85 -0.325 6.216 -4.407 1.00 54.14 H new ATOM 0 HE1 PHE A 85 -2.037 1.942 -2.662 1.00 32.25 H new ATOM 0 HE2 PHE A 85 0.156 5.549 -2.096 1.00 23.41 H new ATOM 0 HZ PHE A 85 -0.662 3.397 -1.236 1.00 4.42 H new ATOM 1450 N ALA A 86 -1.165 4.588 -9.508 1.00 73.43 N ATOM 1451 CA ALA A 86 -1.317 4.988 -10.921 1.00 45.15 C ATOM 1452 C ALA A 86 -1.523 3.760 -11.844 1.00 53.45 C ATOM 1453 O ALA A 86 -2.070 3.899 -12.940 1.00 2.33 O ATOM 1454 CB ALA A 86 -0.090 5.805 -11.365 1.00 75.32 C ATOM 0 H ALA A 86 -0.207 4.665 -9.165 1.00 73.43 H new ATOM 0 HA ALA A 86 -2.210 5.608 -11.006 1.00 45.15 H new ATOM 0 HB1 ALA A 86 -0.206 6.098 -12.408 1.00 75.32 H new ATOM 0 HB2 ALA A 86 -0.003 6.697 -10.745 1.00 75.32 H new ATOM 0 HB3 ALA A 86 0.809 5.199 -11.257 1.00 75.32 H new ATOM 1460 N GLU A 87 -1.067 2.571 -11.397 1.00 5.20 N ATOM 1461 CA GLU A 87 -1.264 1.300 -12.136 1.00 34.51 C ATOM 1462 C GLU A 87 -2.715 0.793 -12.022 1.00 50.12 C ATOM 1463 O GLU A 87 -3.207 0.103 -12.919 1.00 33.44 O ATOM 1464 CB GLU A 87 -0.334 0.169 -11.608 1.00 61.22 C ATOM 1465 CG GLU A 87 1.177 0.450 -11.625 1.00 22.22 C ATOM 1466 CD GLU A 87 1.710 0.923 -12.983 1.00 64.40 C ATOM 1467 OE1 GLU A 87 1.737 0.114 -13.931 1.00 51.22 O ATOM 1468 OE2 GLU A 87 2.134 2.095 -13.097 1.00 24.12 O ATOM 0 H GLU A 87 -0.556 2.462 -10.521 1.00 5.20 H new ATOM 0 HA GLU A 87 -1.023 1.526 -13.175 1.00 34.51 H new ATOM 0 HB2 GLU A 87 -0.626 -0.060 -10.583 1.00 61.22 H new ATOM 0 HB3 GLU A 87 -0.520 -0.727 -12.200 1.00 61.22 H new ATOM 0 HG2 GLU A 87 1.404 1.207 -10.874 1.00 22.22 H new ATOM 0 HG3 GLU A 87 1.708 -0.457 -11.334 1.00 22.22 H new ATOM 1475 N LEU A 88 -3.377 1.116 -10.894 1.00 62.33 N ATOM 1476 CA LEU A 88 -4.677 0.509 -10.513 1.00 71.32 C ATOM 1477 C LEU A 88 -5.841 1.511 -10.658 1.00 21.53 C ATOM 1478 O LEU A 88 -7.008 1.102 -10.711 1.00 61.44 O ATOM 1479 CB LEU A 88 -4.598 -0.061 -9.071 1.00 22.41 C ATOM 1480 CG LEU A 88 -3.504 -1.155 -8.819 1.00 43.43 C ATOM 1481 CD1 LEU A 88 -3.534 -1.657 -7.359 1.00 74.23 C ATOM 1482 CD2 LEU A 88 -3.638 -2.328 -9.818 1.00 22.43 C ATOM 0 H LEU A 88 -3.032 1.801 -10.221 1.00 62.33 H new ATOM 0 HA LEU A 88 -4.881 -0.312 -11.200 1.00 71.32 H new ATOM 0 HB2 LEU A 88 -4.419 0.767 -8.385 1.00 22.41 H new ATOM 0 HB3 LEU A 88 -5.570 -0.483 -8.816 1.00 22.41 H new ATOM 0 HG LEU A 88 -2.533 -0.689 -8.987 1.00 43.43 H new ATOM 0 HD11 LEU A 88 -2.763 -2.415 -7.219 1.00 74.23 H new ATOM 0 HD12 LEU A 88 -3.349 -0.822 -6.683 1.00 74.23 H new ATOM 0 HD13 LEU A 88 -4.511 -2.089 -7.143 1.00 74.23 H new ATOM 0 HD21 LEU A 88 -2.864 -3.069 -9.615 1.00 22.43 H new ATOM 0 HD22 LEU A 88 -4.620 -2.789 -9.708 1.00 22.43 H new ATOM 0 HD23 LEU A 88 -3.525 -1.954 -10.836 1.00 22.43 H new ATOM 1494 N GLY A 89 -5.518 2.818 -10.705 1.00 21.50 N ATOM 1495 CA GLY A 89 -6.512 3.870 -10.965 1.00 43.34 C ATOM 1496 C GLY A 89 -6.879 4.714 -9.745 1.00 50.54 C ATOM 1497 O GLY A 89 -7.858 5.472 -9.798 1.00 44.43 O ATOM 0 H GLY A 89 -4.570 3.169 -10.565 1.00 21.50 H new ATOM 0 HA2 GLY A 89 -6.129 4.529 -11.744 1.00 43.34 H new ATOM 0 HA3 GLY A 89 -7.418 3.407 -11.356 1.00 43.34 H new ATOM 1501 N TYR A 90 -6.112 4.586 -8.640 1.00 74.43 N ATOM 1502 CA TYR A 90 -6.249 5.469 -7.463 1.00 12.14 C ATOM 1503 C TYR A 90 -5.693 6.861 -7.819 1.00 0.34 C ATOM 1504 O TYR A 90 -4.501 6.993 -8.142 1.00 35.14 O ATOM 1505 CB TYR A 90 -5.484 4.913 -6.236 1.00 2.50 C ATOM 1506 CG TYR A 90 -5.901 3.512 -5.770 1.00 60.42 C ATOM 1507 CD1 TYR A 90 -6.965 3.332 -4.887 1.00 63.21 C ATOM 1508 CD2 TYR A 90 -5.207 2.373 -6.192 1.00 1.43 C ATOM 1509 CE1 TYR A 90 -7.328 2.070 -4.454 1.00 74.31 C ATOM 1510 CE2 TYR A 90 -5.568 1.116 -5.759 1.00 63.44 C ATOM 1511 CZ TYR A 90 -6.619 0.968 -4.891 1.00 73.13 C ATOM 1512 OH TYR A 90 -6.969 -0.288 -4.462 1.00 11.41 O ATOM 0 H TYR A 90 -5.388 3.875 -8.540 1.00 74.43 H new ATOM 0 HA TYR A 90 -7.305 5.528 -7.200 1.00 12.14 H new ATOM 0 HB2 TYR A 90 -4.420 4.895 -6.472 1.00 2.50 H new ATOM 0 HB3 TYR A 90 -5.615 5.606 -5.405 1.00 2.50 H new ATOM 0 HD1 TYR A 90 -7.515 4.193 -4.535 1.00 63.21 H new ATOM 0 HD2 TYR A 90 -4.373 2.481 -6.870 1.00 1.43 H new ATOM 0 HE1 TYR A 90 -8.161 1.947 -3.778 1.00 74.31 H new ATOM 0 HE2 TYR A 90 -5.024 0.249 -6.103 1.00 63.44 H new ATOM 0 HH TYR A 90 -7.613 -0.215 -3.727 1.00 11.41 H new ATOM 1522 N ASN A 91 -6.552 7.881 -7.728 1.00 14.21 N ATOM 1523 CA ASN A 91 -6.237 9.258 -8.160 1.00 61.40 C ATOM 1524 C ASN A 91 -5.356 9.957 -7.114 1.00 54.30 C ATOM 1525 O ASN A 91 -5.238 9.478 -5.985 1.00 4.03 O ATOM 1526 CB ASN A 91 -7.552 10.055 -8.379 1.00 4.12 C ATOM 1527 CG ASN A 91 -8.483 9.406 -9.409 1.00 1.44 C ATOM 1528 OD1 ASN A 91 -8.379 9.671 -10.609 1.00 41.13 O ATOM 1529 ND2 ASN A 91 -9.402 8.555 -8.956 1.00 3.04 N ATOM 0 H ASN A 91 -7.494 7.780 -7.350 1.00 14.21 H new ATOM 0 HA ASN A 91 -5.688 9.217 -9.101 1.00 61.40 H new ATOM 0 HB2 ASN A 91 -8.078 10.145 -7.429 1.00 4.12 H new ATOM 0 HB3 ASN A 91 -7.307 11.066 -8.705 1.00 4.12 H new ATOM 0 HD21 ASN A 91 -10.044 8.103 -9.607 1.00 3.04 H new ATOM 0 HD22 ASN A 91 -9.464 8.355 -7.958 1.00 3.04 H new ATOM 1536 N ASP A 92 -4.744 11.086 -7.514 1.00 4.40 N ATOM 1537 CA ASP A 92 -3.976 11.977 -6.604 1.00 3.22 C ATOM 1538 C ASP A 92 -4.810 12.390 -5.371 1.00 33.13 C ATOM 1539 O ASP A 92 -4.331 12.328 -4.237 1.00 43.02 O ATOM 1540 CB ASP A 92 -3.510 13.233 -7.391 1.00 2.24 C ATOM 1541 CG ASP A 92 -2.928 14.360 -6.507 1.00 3.41 C ATOM 1542 OD1 ASP A 92 -1.760 14.256 -6.073 1.00 51.10 O ATOM 1543 OD2 ASP A 92 -3.628 15.368 -6.261 1.00 43.43 O ATOM 0 H ASP A 92 -4.764 11.414 -8.480 1.00 4.40 H new ATOM 0 HA ASP A 92 -3.108 11.430 -6.236 1.00 3.22 H new ATOM 0 HB2 ASP A 92 -2.756 12.932 -8.118 1.00 2.24 H new ATOM 0 HB3 ASP A 92 -4.356 13.629 -7.954 1.00 2.24 H new ATOM 1548 N SER A 93 -6.081 12.758 -5.625 1.00 21.44 N ATOM 1549 CA SER A 93 -7.052 13.172 -4.586 1.00 4.24 C ATOM 1550 C SER A 93 -7.428 12.007 -3.639 1.00 54.21 C ATOM 1551 O SER A 93 -8.104 12.218 -2.622 1.00 62.44 O ATOM 1552 CB SER A 93 -8.317 13.747 -5.276 1.00 24.11 C ATOM 1553 OG SER A 93 -9.277 14.235 -4.347 1.00 5.33 O ATOM 0 H SER A 93 -6.470 12.777 -6.568 1.00 21.44 H new ATOM 0 HA SER A 93 -6.585 13.938 -3.967 1.00 4.24 H new ATOM 0 HB2 SER A 93 -8.024 14.555 -5.947 1.00 24.11 H new ATOM 0 HB3 SER A 93 -8.774 12.972 -5.891 1.00 24.11 H new ATOM 0 HG SER A 93 -9.254 13.687 -3.535 1.00 5.33 H new ATOM 1559 N ASN A 94 -6.990 10.782 -3.973 1.00 34.10 N ATOM 1560 CA ASN A 94 -7.246 9.582 -3.163 1.00 73.41 C ATOM 1561 C ASN A 94 -5.993 9.161 -2.385 1.00 15.51 C ATOM 1562 O ASN A 94 -6.077 8.309 -1.518 1.00 22.22 O ATOM 1563 CB ASN A 94 -7.735 8.408 -4.053 1.00 35.54 C ATOM 1564 CG ASN A 94 -9.000 8.711 -4.870 1.00 52.12 C ATOM 1565 OD1 ASN A 94 -9.169 8.192 -5.973 1.00 62.22 O ATOM 1566 ND2 ASN A 94 -9.912 9.527 -4.341 1.00 13.41 N ATOM 0 H ASN A 94 -6.446 10.597 -4.816 1.00 34.10 H new ATOM 0 HA ASN A 94 -8.030 9.831 -2.448 1.00 73.41 H new ATOM 0 HB2 ASN A 94 -6.934 8.130 -4.738 1.00 35.54 H new ATOM 0 HB3 ASN A 94 -7.927 7.543 -3.418 1.00 35.54 H new ATOM 0 HD21 ASN A 94 -10.771 9.732 -4.852 1.00 13.41 H new ATOM 0 HD22 ASN A 94 -9.751 9.946 -3.425 1.00 13.41 H new ATOM 1573 N VAL A 95 -4.831 9.756 -2.703 1.00 44.52 N ATOM 1574 CA VAL A 95 -3.530 9.377 -2.108 1.00 12.23 C ATOM 1575 C VAL A 95 -3.036 10.495 -1.170 1.00 1.23 C ATOM 1576 O VAL A 95 -2.744 11.604 -1.630 1.00 64.34 O ATOM 1577 CB VAL A 95 -2.455 9.090 -3.235 1.00 33.34 C ATOM 1578 CG1 VAL A 95 -1.083 8.676 -2.643 1.00 25.01 C ATOM 1579 CG2 VAL A 95 -2.980 8.026 -4.229 1.00 44.32 C ATOM 0 H VAL A 95 -4.763 10.515 -3.381 1.00 44.52 H new ATOM 0 HA VAL A 95 -3.667 8.462 -1.531 1.00 12.23 H new ATOM 0 HB VAL A 95 -2.295 10.021 -3.778 1.00 33.34 H new ATOM 0 HG11 VAL A 95 -0.378 8.490 -3.453 1.00 25.01 H new ATOM 0 HG12 VAL A 95 -0.703 9.478 -2.009 1.00 25.01 H new ATOM 0 HG13 VAL A 95 -1.201 7.769 -2.049 1.00 25.01 H new ATOM 0 HG21 VAL A 95 -2.228 7.842 -4.996 1.00 44.32 H new ATOM 0 HG22 VAL A 95 -3.187 7.099 -3.694 1.00 44.32 H new ATOM 0 HG23 VAL A 95 -3.896 8.387 -4.698 1.00 44.32 H new ATOM 1589 N THR A 96 -2.973 10.206 0.146 1.00 31.01 N ATOM 1590 CA THR A 96 -2.425 11.134 1.154 1.00 53.43 C ATOM 1591 C THR A 96 -1.272 10.458 1.929 1.00 41.52 C ATOM 1592 O THR A 96 -1.517 9.691 2.861 1.00 15.43 O ATOM 1593 CB THR A 96 -3.537 11.603 2.158 1.00 71.25 C ATOM 1594 OG1 THR A 96 -4.726 11.972 1.442 1.00 11.04 O ATOM 1595 CG2 THR A 96 -3.076 12.792 3.017 1.00 14.54 C ATOM 0 H THR A 96 -3.301 9.323 0.539 1.00 31.01 H new ATOM 0 HA THR A 96 -2.044 12.011 0.631 1.00 53.43 H new ATOM 0 HB THR A 96 -3.744 10.764 2.823 1.00 71.25 H new ATOM 0 HG1 THR A 96 -5.414 12.261 2.077 1.00 11.04 H new ATOM 0 HG21 THR A 96 -3.877 13.082 3.697 1.00 14.54 H new ATOM 0 HG22 THR A 96 -2.197 12.505 3.594 1.00 14.54 H new ATOM 0 HG23 THR A 96 -2.826 13.633 2.370 1.00 14.54 H new ATOM 1603 N TRP A 97 -0.018 10.732 1.521 1.00 65.13 N ATOM 1604 CA TRP A 97 1.185 10.174 2.185 1.00 60.20 C ATOM 1605 C TRP A 97 1.441 10.869 3.538 1.00 63.04 C ATOM 1606 O TRP A 97 1.109 12.050 3.710 1.00 51.14 O ATOM 1607 CB TRP A 97 2.443 10.278 1.247 1.00 2.24 C ATOM 1608 CG TRP A 97 2.861 8.949 0.642 1.00 12.35 C ATOM 1609 CD1 TRP A 97 2.753 8.547 -0.665 1.00 75.22 C ATOM 1610 CD2 TRP A 97 3.445 7.843 1.353 1.00 74.54 C ATOM 1611 NE1 TRP A 97 3.240 7.270 -0.805 1.00 30.00 N ATOM 1612 CE2 TRP A 97 3.673 6.820 0.420 1.00 61.21 C ATOM 1613 CE3 TRP A 97 3.801 7.625 2.689 1.00 33.11 C ATOM 1614 CZ2 TRP A 97 4.240 5.597 0.779 1.00 32.02 C ATOM 1615 CZ3 TRP A 97 4.362 6.412 3.042 1.00 54.45 C ATOM 1616 CH2 TRP A 97 4.581 5.411 2.092 1.00 12.35 C ATOM 0 H TRP A 97 0.193 11.340 0.730 1.00 65.13 H new ATOM 0 HA TRP A 97 1.002 9.118 2.383 1.00 60.20 H new ATOM 0 HB2 TRP A 97 2.229 10.983 0.443 1.00 2.24 H new ATOM 0 HB3 TRP A 97 3.278 10.687 1.816 1.00 2.24 H new ATOM 0 HD1 TRP A 97 2.345 9.146 -1.466 1.00 75.22 H new ATOM 0 HE1 TRP A 97 3.275 6.741 -1.677 1.00 30.00 H new ATOM 0 HE3 TRP A 97 3.640 8.392 3.432 1.00 33.11 H new ATOM 0 HZ2 TRP A 97 4.405 4.822 0.045 1.00 32.02 H new ATOM 0 HZ3 TRP A 97 4.636 6.235 4.071 1.00 54.45 H new ATOM 0 HH2 TRP A 97 5.026 4.476 2.398 1.00 12.35 H new ATOM 1627 N ASP A 98 2.039 10.124 4.485 1.00 33.40 N ATOM 1628 CA ASP A 98 2.333 10.621 5.843 1.00 23.20 C ATOM 1629 C ASP A 98 3.440 9.765 6.499 1.00 23.13 C ATOM 1630 O ASP A 98 3.165 8.818 7.251 1.00 45.41 O ATOM 1631 CB ASP A 98 1.037 10.645 6.705 1.00 24.03 C ATOM 1632 CG ASP A 98 1.227 11.339 8.067 1.00 73.22 C ATOM 1633 OD1 ASP A 98 1.268 12.588 8.109 1.00 2.51 O ATOM 1634 OD2 ASP A 98 1.340 10.650 9.095 1.00 12.35 O ATOM 0 H ASP A 98 2.333 9.159 4.331 1.00 33.40 H new ATOM 0 HA ASP A 98 2.702 11.644 5.775 1.00 23.20 H new ATOM 0 HB2 ASP A 98 0.249 11.156 6.151 1.00 24.03 H new ATOM 0 HB3 ASP A 98 0.699 9.622 6.870 1.00 24.03 H new ATOM 1639 N GLY A 99 4.699 10.087 6.147 1.00 44.41 N ATOM 1640 CA GLY A 99 5.884 9.465 6.744 1.00 20.40 C ATOM 1641 C GLY A 99 6.077 7.999 6.339 1.00 2.41 C ATOM 1642 O GLY A 99 6.568 7.708 5.244 1.00 72.25 O ATOM 0 H GLY A 99 4.918 10.788 5.439 1.00 44.41 H new ATOM 0 HA2 GLY A 99 6.768 10.033 6.453 1.00 20.40 H new ATOM 0 HA3 GLY A 99 5.808 9.526 7.830 1.00 20.40 H new ATOM 1646 N ASP A 100 5.695 7.079 7.242 1.00 44.34 N ATOM 1647 CA ASP A 100 5.763 5.615 7.005 1.00 4.53 C ATOM 1648 C ASP A 100 4.453 5.092 6.398 1.00 33.22 C ATOM 1649 O ASP A 100 4.439 4.034 5.775 1.00 62.50 O ATOM 1650 CB ASP A 100 6.057 4.841 8.328 1.00 45.53 C ATOM 1651 CG ASP A 100 7.487 5.034 8.869 1.00 34.12 C ATOM 1652 OD1 ASP A 100 7.804 6.144 9.339 1.00 32.43 O ATOM 1653 OD2 ASP A 100 8.298 4.077 8.840 1.00 0.13 O ATOM 0 H ASP A 100 5.328 7.324 8.162 1.00 44.34 H new ATOM 0 HA ASP A 100 6.579 5.443 6.302 1.00 4.53 H new ATOM 0 HB2 ASP A 100 5.346 5.162 9.089 1.00 45.53 H new ATOM 0 HB3 ASP A 100 5.885 3.778 8.160 1.00 45.53 H new ATOM 1658 N THR A 101 3.359 5.848 6.572 1.00 61.54 N ATOM 1659 CA THR A 101 2.002 5.388 6.243 1.00 73.02 C ATOM 1660 C THR A 101 1.411 6.216 5.091 1.00 61.35 C ATOM 1661 O THR A 101 1.423 7.444 5.152 1.00 22.44 O ATOM 1662 CB THR A 101 1.063 5.521 7.486 1.00 71.30 C ATOM 1663 OG1 THR A 101 1.704 4.949 8.633 1.00 32.31 O ATOM 1664 CG2 THR A 101 -0.295 4.828 7.266 1.00 71.34 C ATOM 0 H THR A 101 3.390 6.797 6.945 1.00 61.54 H new ATOM 0 HA THR A 101 2.071 4.343 5.943 1.00 73.02 H new ATOM 0 HB THR A 101 0.874 6.583 7.642 1.00 71.30 H new ATOM 0 HG1 THR A 101 1.075 4.932 9.385 1.00 32.31 H new ATOM 0 HG21 THR A 101 -0.913 4.947 8.156 1.00 71.34 H new ATOM 0 HG22 THR A 101 -0.799 5.279 6.411 1.00 71.34 H new ATOM 0 HG23 THR A 101 -0.135 3.767 7.075 1.00 71.34 H new ATOM 1672 N VAL A 102 0.895 5.551 4.043 1.00 44.23 N ATOM 1673 CA VAL A 102 0.053 6.222 3.039 1.00 30.24 C ATOM 1674 C VAL A 102 -1.413 5.911 3.364 1.00 21.50 C ATOM 1675 O VAL A 102 -1.782 4.763 3.638 1.00 32.44 O ATOM 1676 CB VAL A 102 0.389 5.824 1.553 1.00 22.31 C ATOM 1677 CG1 VAL A 102 0.195 4.326 1.277 1.00 73.40 C ATOM 1678 CG2 VAL A 102 -0.414 6.692 0.547 1.00 4.33 C ATOM 0 H VAL A 102 1.045 4.557 3.870 1.00 44.23 H new ATOM 0 HA VAL A 102 0.253 7.292 3.097 1.00 30.24 H new ATOM 0 HB VAL A 102 1.450 6.027 1.409 1.00 22.31 H new ATOM 0 HG11 VAL A 102 0.442 4.113 0.237 1.00 73.40 H new ATOM 0 HG12 VAL A 102 0.848 3.748 1.931 1.00 73.40 H new ATOM 0 HG13 VAL A 102 -0.843 4.052 1.467 1.00 73.40 H new ATOM 0 HG21 VAL A 102 -0.162 6.396 -0.471 1.00 4.33 H new ATOM 0 HG22 VAL A 102 -1.482 6.548 0.713 1.00 4.33 H new ATOM 0 HG23 VAL A 102 -0.163 7.743 0.692 1.00 4.33 H new ATOM 1688 N THR A 103 -2.221 6.954 3.394 1.00 73.51 N ATOM 1689 CA THR A 103 -3.639 6.868 3.672 1.00 54.33 C ATOM 1690 C THR A 103 -4.405 7.128 2.373 1.00 41.23 C ATOM 1691 O THR A 103 -4.495 8.272 1.903 1.00 23.13 O ATOM 1692 CB THR A 103 -4.014 7.895 4.779 1.00 64.12 C ATOM 1693 OG1 THR A 103 -3.079 7.776 5.871 1.00 52.32 O ATOM 1694 CG2 THR A 103 -5.436 7.667 5.306 1.00 1.43 C ATOM 0 H THR A 103 -1.900 7.907 3.221 1.00 73.51 H new ATOM 0 HA THR A 103 -3.904 5.877 4.039 1.00 54.33 H new ATOM 0 HB THR A 103 -3.971 8.893 4.343 1.00 64.12 H new ATOM 0 HG1 THR A 103 -3.309 8.422 6.571 1.00 52.32 H new ATOM 0 HG21 THR A 103 -5.661 8.404 6.077 1.00 1.43 H new ATOM 0 HG22 THR A 103 -6.148 7.770 4.487 1.00 1.43 H new ATOM 0 HG23 THR A 103 -5.511 6.665 5.728 1.00 1.43 H new ATOM 1702 N VAL A 104 -4.894 6.044 1.774 1.00 71.42 N ATOM 1703 CA VAL A 104 -5.634 6.078 0.526 1.00 71.44 C ATOM 1704 C VAL A 104 -7.129 6.167 0.863 1.00 64.21 C ATOM 1705 O VAL A 104 -7.720 5.207 1.358 1.00 1.43 O ATOM 1706 CB VAL A 104 -5.338 4.784 -0.329 1.00 32.40 C ATOM 1707 CG1 VAL A 104 -6.023 4.850 -1.710 1.00 5.43 C ATOM 1708 CG2 VAL A 104 -3.815 4.552 -0.469 1.00 44.43 C ATOM 0 H VAL A 104 -4.782 5.104 2.153 1.00 71.42 H new ATOM 0 HA VAL A 104 -5.330 6.941 -0.066 1.00 71.44 H new ATOM 0 HB VAL A 104 -5.761 3.931 0.202 1.00 32.40 H new ATOM 0 HG11 VAL A 104 -5.798 3.943 -2.272 1.00 5.43 H new ATOM 0 HG12 VAL A 104 -7.101 4.936 -1.577 1.00 5.43 H new ATOM 0 HG13 VAL A 104 -5.654 5.717 -2.258 1.00 5.43 H new ATOM 0 HG21 VAL A 104 -3.637 3.655 -1.062 1.00 44.43 H new ATOM 0 HG22 VAL A 104 -3.360 5.410 -0.964 1.00 44.43 H new ATOM 0 HG23 VAL A 104 -3.374 4.427 0.520 1.00 44.43 H new ATOM 1718 N GLU A 105 -7.723 7.333 0.604 1.00 42.01 N ATOM 1719 CA GLU A 105 -9.125 7.627 0.919 1.00 43.21 C ATOM 1720 C GLU A 105 -9.814 7.997 -0.391 1.00 72.25 C ATOM 1721 O GLU A 105 -9.506 9.043 -0.971 1.00 2.11 O ATOM 1722 CB GLU A 105 -9.195 8.803 1.930 1.00 31.52 C ATOM 1723 CG GLU A 105 -8.437 8.542 3.239 1.00 14.42 C ATOM 1724 CD GLU A 105 -8.469 9.728 4.212 1.00 61.41 C ATOM 1725 OE1 GLU A 105 -7.623 10.637 4.080 1.00 72.34 O ATOM 1726 OE2 GLU A 105 -9.349 9.769 5.104 1.00 23.24 O ATOM 0 H GLU A 105 -7.237 8.113 0.162 1.00 42.01 H new ATOM 0 HA GLU A 105 -9.619 6.768 1.373 1.00 43.21 H new ATOM 0 HB2 GLU A 105 -8.790 9.699 1.459 1.00 31.52 H new ATOM 0 HB3 GLU A 105 -10.240 9.009 2.161 1.00 31.52 H new ATOM 0 HG2 GLU A 105 -8.866 7.668 3.730 1.00 14.42 H new ATOM 0 HG3 GLU A 105 -7.400 8.301 3.007 1.00 14.42 H new ATOM 1733 N GLY A 106 -10.739 7.150 -0.856 1.00 3.44 N ATOM 1734 CA GLY A 106 -11.345 7.349 -2.162 1.00 54.52 C ATOM 1735 C GLY A 106 -12.601 6.535 -2.367 1.00 10.23 C ATOM 1736 O GLY A 106 -13.179 5.990 -1.407 1.00 33.21 O ATOM 0 H GLY A 106 -11.076 6.332 -0.349 1.00 3.44 H new ATOM 0 HA2 GLY A 106 -11.580 8.406 -2.289 1.00 54.52 H new ATOM 0 HA3 GLY A 106 -10.621 7.089 -2.934 1.00 54.52 H new ATOM 1740 N GLN A 107 -13.023 6.490 -3.632 1.00 31.55 N ATOM 1741 CA GLN A 107 -14.230 5.793 -4.079 1.00 10.11 C ATOM 1742 C GLN A 107 -13.846 4.473 -4.764 1.00 44.21 C ATOM 1743 O GLN A 107 -12.786 4.370 -5.399 1.00 14.42 O ATOM 1744 CB GLN A 107 -15.022 6.716 -5.056 1.00 64.11 C ATOM 1745 CG GLN A 107 -14.238 7.155 -6.325 1.00 74.12 C ATOM 1746 CD GLN A 107 -14.944 8.229 -7.161 1.00 64.53 C ATOM 1747 OE1 GLN A 107 -16.174 8.316 -7.187 1.00 53.23 O ATOM 1748 NE2 GLN A 107 -14.174 9.053 -7.868 1.00 74.12 N ATOM 0 H GLN A 107 -12.522 6.949 -4.393 1.00 31.55 H new ATOM 0 HA GLN A 107 -14.863 5.560 -3.223 1.00 10.11 H new ATOM 0 HB2 GLN A 107 -15.928 6.197 -5.368 1.00 64.11 H new ATOM 0 HB3 GLN A 107 -15.336 7.608 -4.515 1.00 64.11 H new ATOM 0 HG2 GLN A 107 -13.261 7.531 -6.022 1.00 74.12 H new ATOM 0 HG3 GLN A 107 -14.063 6.280 -6.951 1.00 74.12 H new ATOM 0 HE21 GLN A 107 -13.159 8.961 -7.830 1.00 74.12 H new ATOM 0 HE22 GLN A 107 -14.599 9.776 -8.448 1.00 74.12 H new ATOM 1757 N LEU A 108 -14.711 3.467 -4.599 1.00 24.40 N ATOM 1758 CA LEU A 108 -14.598 2.180 -5.295 1.00 54.45 C ATOM 1759 C LEU A 108 -15.124 2.287 -6.726 1.00 12.02 C ATOM 1760 O LEU A 108 -15.882 3.196 -7.056 1.00 10.50 O ATOM 1761 CB LEU A 108 -15.365 1.069 -4.527 1.00 64.11 C ATOM 1762 CG LEU A 108 -14.731 0.638 -3.178 1.00 54.00 C ATOM 1763 CD1 LEU A 108 -15.556 -0.465 -2.494 1.00 34.22 C ATOM 1764 CD2 LEU A 108 -13.271 0.197 -3.379 1.00 30.14 C ATOM 0 H LEU A 108 -15.515 3.523 -3.974 1.00 24.40 H new ATOM 0 HA LEU A 108 -13.542 1.913 -5.332 1.00 54.45 H new ATOM 0 HB2 LEU A 108 -16.381 1.416 -4.338 1.00 64.11 H new ATOM 0 HB3 LEU A 108 -15.442 0.192 -5.170 1.00 64.11 H new ATOM 0 HG LEU A 108 -14.736 1.504 -2.516 1.00 54.00 H new ATOM 0 HD11 LEU A 108 -15.083 -0.742 -1.552 1.00 34.22 H new ATOM 0 HD12 LEU A 108 -16.564 -0.098 -2.299 1.00 34.22 H new ATOM 0 HD13 LEU A 108 -15.607 -1.338 -3.145 1.00 34.22 H new ATOM 0 HD21 LEU A 108 -12.846 -0.101 -2.421 1.00 30.14 H new ATOM 0 HD22 LEU A 108 -13.237 -0.646 -4.069 1.00 30.14 H new ATOM 0 HD23 LEU A 108 -12.694 1.025 -3.790 1.00 30.14 H new ATOM 1776 N GLU A 109 -14.672 1.344 -7.548 1.00 3.34 N ATOM 1777 CA GLU A 109 -15.121 1.137 -8.936 1.00 32.45 C ATOM 1778 C GLU A 109 -16.503 0.417 -8.961 1.00 32.24 C ATOM 1779 O GLU A 109 -16.596 -0.789 -9.226 1.00 44.13 O ATOM 1780 CB GLU A 109 -14.011 0.334 -9.688 1.00 14.31 C ATOM 1781 CG GLU A 109 -13.514 -0.913 -8.913 1.00 53.40 C ATOM 1782 CD GLU A 109 -12.370 -1.663 -9.587 1.00 44.10 C ATOM 1783 OE1 GLU A 109 -11.229 -1.153 -9.588 1.00 22.13 O ATOM 1784 OE2 GLU A 109 -12.585 -2.788 -10.073 1.00 33.31 O ATOM 0 H GLU A 109 -13.957 0.675 -7.263 1.00 3.34 H new ATOM 0 HA GLU A 109 -15.267 2.090 -9.444 1.00 32.45 H new ATOM 0 HB2 GLU A 109 -14.396 0.019 -10.658 1.00 14.31 H new ATOM 0 HB3 GLU A 109 -13.164 0.993 -9.880 1.00 14.31 H new ATOM 0 HG2 GLU A 109 -13.192 -0.603 -7.919 1.00 53.40 H new ATOM 0 HG3 GLU A 109 -14.351 -1.598 -8.778 1.00 53.40 H new ATOM 1791 N GLY A 110 -17.569 1.172 -8.644 1.00 13.35 N ATOM 1792 CA GLY A 110 -18.928 0.619 -8.532 1.00 53.25 C ATOM 1793 C GLY A 110 -19.914 1.358 -9.411 1.00 42.33 C ATOM 1794 O GLY A 110 -20.548 0.756 -10.285 1.00 62.24 O ATOM 0 H GLY A 110 -17.513 2.174 -8.460 1.00 13.35 H new ATOM 0 HA2 GLY A 110 -18.915 -0.435 -8.809 1.00 53.25 H new ATOM 0 HA3 GLY A 110 -19.257 0.672 -7.494 1.00 53.25 H new ATOM 1798 N VAL A 111 -20.045 2.680 -9.179 1.00 44.32 N ATOM 1799 CA VAL A 111 -20.928 3.545 -9.987 1.00 53.02 C ATOM 1800 C VAL A 111 -20.361 3.640 -11.413 1.00 61.42 C ATOM 1801 O VAL A 111 -21.084 3.513 -12.406 1.00 41.12 O ATOM 1802 CB VAL A 111 -21.060 4.992 -9.375 1.00 40.44 C ATOM 1803 CG1 VAL A 111 -22.008 5.898 -10.209 1.00 44.23 C ATOM 1804 CG2 VAL A 111 -21.501 4.931 -7.897 1.00 64.11 C ATOM 0 H VAL A 111 -19.549 3.173 -8.436 1.00 44.32 H new ATOM 0 HA VAL A 111 -21.923 3.101 -9.996 1.00 53.02 H new ATOM 0 HB VAL A 111 -20.071 5.448 -9.415 1.00 40.44 H new ATOM 0 HG11 VAL A 111 -22.067 6.884 -9.748 1.00 44.23 H new ATOM 0 HG12 VAL A 111 -21.621 5.994 -11.223 1.00 44.23 H new ATOM 0 HG13 VAL A 111 -23.002 5.452 -10.241 1.00 44.23 H new ATOM 0 HG21 VAL A 111 -21.584 5.943 -7.500 1.00 64.11 H new ATOM 0 HG22 VAL A 111 -22.468 4.433 -7.826 1.00 64.11 H new ATOM 0 HG23 VAL A 111 -20.763 4.374 -7.320 1.00 64.11 H new ATOM 1814 N ASP A 112 -19.040 3.855 -11.474 1.00 51.22 N ATOM 1815 CA ASP A 112 -18.273 3.876 -12.724 1.00 2.34 C ATOM 1816 C ASP A 112 -17.970 2.428 -13.140 1.00 0.34 C ATOM 1817 O ASP A 112 -17.272 1.695 -12.420 1.00 30.44 O ATOM 1818 CB ASP A 112 -16.960 4.690 -12.557 1.00 1.45 C ATOM 1819 CG ASP A 112 -16.256 4.965 -13.901 1.00 75.25 C ATOM 1820 OD1 ASP A 112 -15.532 4.085 -14.407 1.00 51.14 O ATOM 1821 OD2 ASP A 112 -16.425 6.075 -14.451 1.00 41.42 O ATOM 0 H ASP A 112 -18.468 4.021 -10.646 1.00 51.22 H new ATOM 0 HA ASP A 112 -18.859 4.365 -13.502 1.00 2.34 H new ATOM 0 HB2 ASP A 112 -17.185 5.638 -12.068 1.00 1.45 H new ATOM 0 HB3 ASP A 112 -16.281 4.146 -11.900 1.00 1.45 H new ATOM 1826 N LEU A 113 -18.509 2.034 -14.297 1.00 53.52 N ATOM 1827 CA LEU A 113 -18.433 0.653 -14.805 1.00 61.50 C ATOM 1828 C LEU A 113 -17.140 0.412 -15.603 1.00 61.14 C ATOM 1829 O LEU A 113 -16.770 -0.743 -15.857 1.00 44.44 O ATOM 1830 CB LEU A 113 -19.681 0.348 -15.679 1.00 64.02 C ATOM 1831 CG LEU A 113 -21.066 0.602 -14.998 1.00 73.40 C ATOM 1832 CD1 LEU A 113 -22.231 0.340 -15.978 1.00 53.54 C ATOM 1833 CD2 LEU A 113 -21.220 -0.226 -13.699 1.00 22.41 C ATOM 0 H LEU A 113 -19.016 2.667 -14.916 1.00 53.52 H new ATOM 0 HA LEU A 113 -18.416 -0.024 -13.951 1.00 61.50 H new ATOM 0 HB2 LEU A 113 -19.625 0.954 -16.583 1.00 64.02 H new ATOM 0 HB3 LEU A 113 -19.637 -0.695 -15.991 1.00 64.02 H new ATOM 0 HG LEU A 113 -21.105 1.655 -14.718 1.00 73.40 H new ATOM 0 HD11 LEU A 113 -23.179 0.526 -15.474 1.00 53.54 H new ATOM 0 HD12 LEU A 113 -22.141 1.005 -16.837 1.00 53.54 H new ATOM 0 HD13 LEU A 113 -22.196 -0.696 -16.316 1.00 53.54 H new ATOM 0 HD21 LEU A 113 -22.194 -0.025 -13.253 1.00 22.41 H new ATOM 0 HD22 LEU A 113 -21.140 -1.288 -13.933 1.00 22.41 H new ATOM 0 HD23 LEU A 113 -20.434 0.051 -12.996 1.00 22.41 H new ATOM 1845 N GLU A 114 -16.443 1.499 -15.969 1.00 61.10 N ATOM 1846 CA GLU A 114 -15.239 1.441 -16.811 1.00 22.01 C ATOM 1847 C GLU A 114 -13.988 1.173 -15.955 1.00 41.11 C ATOM 1848 O GLU A 114 -13.100 2.028 -15.814 1.00 52.23 O ATOM 1849 CB GLU A 114 -15.105 2.751 -17.637 1.00 61.32 C ATOM 1850 CG GLU A 114 -16.358 3.124 -18.458 1.00 61.13 C ATOM 1851 CD GLU A 114 -16.822 2.011 -19.413 1.00 74.22 C ATOM 1852 OE1 GLU A 114 -16.156 1.785 -20.446 1.00 62.53 O ATOM 1853 OE2 GLU A 114 -17.852 1.357 -19.143 1.00 62.11 O ATOM 0 H GLU A 114 -16.700 2.445 -15.688 1.00 61.10 H new ATOM 0 HA GLU A 114 -15.333 0.611 -17.511 1.00 22.01 H new ATOM 0 HB2 GLU A 114 -14.874 3.571 -16.957 1.00 61.32 H new ATOM 0 HB3 GLU A 114 -14.258 2.652 -18.316 1.00 61.32 H new ATOM 0 HG2 GLU A 114 -17.171 3.367 -17.774 1.00 61.13 H new ATOM 0 HG3 GLU A 114 -16.149 4.024 -19.036 1.00 61.13 H new ATOM 1860 N HIS A 115 -13.962 -0.018 -15.335 1.00 2.22 N ATOM 1861 CA HIS A 115 -12.762 -0.564 -14.694 1.00 11.21 C ATOM 1862 C HIS A 115 -11.727 -0.837 -15.791 1.00 14.02 C ATOM 1863 O HIS A 115 -12.073 -1.405 -16.833 1.00 52.40 O ATOM 1864 CB HIS A 115 -13.109 -1.870 -13.924 1.00 3.00 C ATOM 1865 CG HIS A 115 -11.934 -2.570 -13.268 1.00 11.43 C ATOM 1866 ND1 HIS A 115 -11.886 -3.933 -13.052 1.00 75.13 N ATOM 1867 CD2 HIS A 115 -10.793 -2.082 -12.726 1.00 71.30 C ATOM 1868 CE1 HIS A 115 -10.776 -4.239 -12.410 1.00 44.01 C ATOM 1869 NE2 HIS A 115 -10.094 -3.137 -12.201 1.00 73.30 N ATOM 0 H HIS A 115 -14.776 -0.628 -15.266 1.00 2.22 H new ATOM 0 HA HIS A 115 -12.359 0.145 -13.971 1.00 11.21 H new ATOM 0 HB2 HIS A 115 -13.845 -1.634 -13.155 1.00 3.00 H new ATOM 0 HB3 HIS A 115 -13.584 -2.565 -14.617 1.00 3.00 H new ATOM 0 HD2 HIS A 115 -10.488 -1.046 -12.710 1.00 71.30 H new ATOM 0 HE1 HIS A 115 -10.477 -5.231 -12.106 1.00 44.01 H new ATOM 0 HE2 HIS A 115 -9.193 -3.076 -11.726 1.00 73.30 H new ATOM 1878 N HIS A 116 -10.478 -0.408 -15.556 1.00 52.34 N ATOM 1879 CA HIS A 116 -9.387 -0.553 -16.530 1.00 31.11 C ATOM 1880 C HIS A 116 -9.079 -2.038 -16.799 1.00 21.54 C ATOM 1881 O HIS A 116 -8.364 -2.697 -16.031 1.00 70.54 O ATOM 1882 CB HIS A 116 -8.118 0.211 -16.072 1.00 24.13 C ATOM 1883 CG HIS A 116 -8.213 1.714 -16.180 1.00 44.20 C ATOM 1884 ND1 HIS A 116 -8.374 2.550 -15.092 1.00 1.10 N ATOM 1885 CD2 HIS A 116 -8.126 2.529 -17.259 1.00 24.21 C ATOM 1886 CE1 HIS A 116 -8.385 3.801 -15.497 1.00 50.45 C ATOM 1887 NE2 HIS A 116 -8.236 3.814 -16.803 1.00 41.21 N ATOM 0 H HIS A 116 -10.197 0.048 -14.688 1.00 52.34 H new ATOM 0 HA HIS A 116 -9.718 -0.107 -17.468 1.00 31.11 H new ATOM 0 HB2 HIS A 116 -7.906 -0.052 -15.036 1.00 24.13 H new ATOM 0 HB3 HIS A 116 -7.271 -0.130 -16.667 1.00 24.13 H new ATOM 0 HD2 HIS A 116 -7.995 2.222 -18.286 1.00 24.21 H new ATOM 0 HE1 HIS A 116 -8.497 4.669 -14.865 1.00 50.45 H new ATOM 0 HE2 HIS A 116 -8.207 4.651 -17.385 1.00 41.21 H new ATOM 1896 N HIS A 117 -9.706 -2.555 -17.870 1.00 42.21 N ATOM 1897 CA HIS A 117 -9.458 -3.901 -18.406 1.00 72.43 C ATOM 1898 C HIS A 117 -8.157 -3.862 -19.220 1.00 42.03 C ATOM 1899 O HIS A 117 -7.817 -2.819 -19.787 1.00 42.14 O ATOM 1900 CB HIS A 117 -10.659 -4.355 -19.282 1.00 50.32 C ATOM 1901 CG HIS A 117 -11.968 -4.420 -18.525 1.00 41.33 C ATOM 1902 ND1 HIS A 117 -12.988 -3.494 -18.675 1.00 63.04 N ATOM 1903 CD2 HIS A 117 -12.421 -5.313 -17.611 1.00 64.42 C ATOM 1904 CE1 HIS A 117 -13.998 -3.821 -17.891 1.00 72.44 C ATOM 1905 NE2 HIS A 117 -13.679 -4.917 -17.237 1.00 13.32 N ATOM 0 H HIS A 117 -10.411 -2.038 -18.395 1.00 42.21 H new ATOM 0 HA HIS A 117 -9.354 -4.622 -17.596 1.00 72.43 H new ATOM 0 HB2 HIS A 117 -10.767 -3.667 -20.121 1.00 50.32 H new ATOM 0 HB3 HIS A 117 -10.442 -5.337 -19.701 1.00 50.32 H new ATOM 0 HD2 HIS A 117 -11.888 -6.178 -17.245 1.00 64.42 H new ATOM 0 HE1 HIS A 117 -14.929 -3.280 -17.801 1.00 72.44 H new ATOM 0 HE2 HIS A 117 -14.273 -5.396 -16.560 1.00 13.32 H new ATOM 1914 N HIS A 118 -7.414 -4.978 -19.247 1.00 45.52 N ATOM 1915 CA HIS A 118 -6.150 -5.070 -20.004 1.00 62.24 C ATOM 1916 C HIS A 118 -6.457 -5.266 -21.499 1.00 71.30 C ATOM 1917 O HIS A 118 -7.573 -5.681 -21.852 1.00 1.42 O ATOM 1918 CB HIS A 118 -5.232 -6.190 -19.433 1.00 62.35 C ATOM 1919 CG HIS A 118 -5.715 -7.601 -19.625 1.00 25.33 C ATOM 1920 ND1 HIS A 118 -6.541 -8.242 -18.729 1.00 0.50 N ATOM 1921 CD2 HIS A 118 -5.460 -8.504 -20.603 1.00 1.12 C ATOM 1922 CE1 HIS A 118 -6.771 -9.466 -19.143 1.00 32.33 C ATOM 1923 NE2 HIS A 118 -6.131 -9.652 -20.279 1.00 10.24 N ATOM 0 H HIS A 118 -7.665 -5.834 -18.752 1.00 45.52 H new ATOM 0 HA HIS A 118 -5.596 -4.138 -19.895 1.00 62.24 H new ATOM 0 HB2 HIS A 118 -4.249 -6.098 -19.895 1.00 62.35 H new ATOM 0 HB3 HIS A 118 -5.100 -6.015 -18.365 1.00 62.35 H new ATOM 0 HD2 HIS A 118 -4.843 -8.347 -21.475 1.00 1.12 H new ATOM 0 HE1 HIS A 118 -7.383 -10.198 -18.637 1.00 32.33 H new ATOM 0 HE2 HIS A 118 -6.135 -10.512 -20.828 1.00 10.24 H new ATOM 1932 N HIS A 119 -5.451 -4.968 -22.351 1.00 51.32 N ATOM 1933 CA HIS A 119 -5.604 -4.917 -23.822 1.00 41.31 C ATOM 1934 C HIS A 119 -6.225 -6.208 -24.391 1.00 23.14 C ATOM 1935 O HIS A 119 -5.679 -7.301 -24.218 1.00 5.24 O ATOM 1936 CB HIS A 119 -4.236 -4.630 -24.514 1.00 63.14 C ATOM 1937 CG HIS A 119 -4.291 -4.581 -26.033 1.00 42.41 C ATOM 1938 ND1 HIS A 119 -4.500 -3.420 -26.750 1.00 24.14 N ATOM 1939 CD2 HIS A 119 -4.155 -5.561 -26.965 1.00 43.41 C ATOM 1940 CE1 HIS A 119 -4.496 -3.693 -28.041 1.00 34.44 C ATOM 1941 NE2 HIS A 119 -4.289 -4.981 -28.196 1.00 35.52 N ATOM 0 H HIS A 119 -4.505 -4.755 -22.035 1.00 51.32 H new ATOM 0 HA HIS A 119 -6.291 -4.099 -24.038 1.00 41.31 H new ATOM 0 HB2 HIS A 119 -3.851 -3.679 -24.147 1.00 63.14 H new ATOM 0 HB3 HIS A 119 -3.524 -5.399 -24.214 1.00 63.14 H new ATOM 0 HD2 HIS A 119 -3.974 -6.608 -26.769 1.00 43.41 H new ATOM 0 HE1 HIS A 119 -4.639 -2.977 -28.837 1.00 34.44 H new ATOM 0 HE2 HIS A 119 -4.237 -5.469 -29.090 1.00 35.52 H new ATOM 1950 N HIS A 120 -7.377 -6.040 -25.050 1.00 2.34 N ATOM 1951 CA HIS A 120 -8.066 -7.107 -25.797 1.00 55.53 C ATOM 1952 C HIS A 120 -7.477 -7.179 -27.223 1.00 5.23 C ATOM 1953 O HIS A 120 -7.626 -6.196 -27.978 1.00 62.33 O ATOM 1954 CB HIS A 120 -9.597 -6.847 -25.846 1.00 22.23 C ATOM 1955 CG HIS A 120 -10.270 -6.910 -24.503 1.00 33.25 C ATOM 1956 ND1 HIS A 120 -11.049 -7.972 -24.099 1.00 23.42 N ATOM 1957 CD2 HIS A 120 -10.280 -6.029 -23.472 1.00 15.23 C ATOM 1958 CE1 HIS A 120 -11.502 -7.742 -22.887 1.00 43.00 C ATOM 1959 NE2 HIS A 120 -11.050 -6.571 -22.482 1.00 51.12 N ATOM 1960 OXT HIS A 120 -6.853 -8.199 -27.573 1.00 37.46 O ATOM 0 H HIS A 120 -7.867 -5.146 -25.082 1.00 2.34 H new ATOM 0 HA HIS A 120 -7.912 -8.060 -25.292 1.00 55.53 H new ATOM 0 HB2 HIS A 120 -9.775 -5.865 -26.285 1.00 22.23 H new ATOM 0 HB3 HIS A 120 -10.059 -7.580 -26.507 1.00 22.23 H new ATOM 0 HD2 HIS A 120 -9.773 -5.076 -23.440 1.00 15.23 H new ATOM 0 HE1 HIS A 120 -12.139 -8.402 -22.317 1.00 43.00 H new ATOM 0 HE2 HIS A 120 -11.244 -6.141 -21.578 1.00 51.12 H new TER 1969 HIS A 120