USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 938 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 75 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.3) USER MOD Set 1.2: A 92 ASN : amide:sc= -0.0394 X(o=-1.4,f=-1.4) USER MOD Set 2.1: A 14 ASN : amide:sc= 0 X(o=0.78,f=0.78) USER MOD Set 2.2: A 37 GLN : amide:sc= 0.78 K(o=0.78,f=-0.13) USER MOD Set 3.1: A 31 ASN : amide:sc= -2.87 X(o=-2.2,f=-2.7!) USER MOD Set 3.2: A 33 SER OG : rot 118:sc= 0.667 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.00496 (180deg=-0.085) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.079 X(o=-0.079,f=-0.009) USER MOD Single : A 8 HIS : no HD1:sc= -0.832! C(o=-0.83!,f=-8.7!) USER MOD Single : A 9 SER OG : rot 61:sc= 0.0405 USER MOD Single : A 10 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.3) USER MOD Single : A 11 MET CE :methyl -161:sc= -0.14 (180deg=-0.606) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.371 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.634! USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= 1.23 (180deg=0.477) USER MOD Single : A 30 LYS NZ :NH3+ -156:sc= 1.25 (180deg=0.474) USER MOD Single : A 32 THR OG1 : rot 41:sc= 0.434 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 39 MET CE :methyl 171:sc= -0.804 (180deg=-0.836) USER MOD Single : A 44 MET CE :methyl 136:sc= -0.431 (180deg=-3.26!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 167:sc= -0.0454 (180deg=-0.236) USER MOD Single : A 57 TYR OH : rot -87:sc= 0.282 USER MOD Single : A 58 THR OG1 : rot 120:sc= 0.515 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc=-0.000608 USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0168) USER MOD Single : A 67 GLN : amide:sc= -3.92! K(o=-3.9!,f=-0.24) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 70:sc= 0.0637 USER MOD Single : A 84 THR OG1 : rot 83:sc= 0.609 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0888 X(o=-0.089,f=-0.31!) USER MOD Single : A 91 GLN : amide:sc= 0.612 K(o=0.61,f=-11!) USER MOD Single : A 93 SER OG : rot 180:sc= -0.181 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 129:sc= 1.25 (180deg=0.0856) USER MOD Single : A 106 ASN : amide:sc= -2.23! C(o=-2.2!,f=-8.3!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 114 GLN : amide:sc= -1.6 K(o=-1.6,f=-0.095) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 167:sc= -0.0444 (180deg=-0.275) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.827 -9.820 -26.606 1.00 34.34 N ATOM 2 CA MET A 1 -14.935 -10.841 -25.994 1.00 13.11 C ATOM 3 C MET A 1 -14.560 -10.475 -24.550 1.00 43.33 C ATOM 4 O MET A 1 -14.519 -9.294 -24.179 1.00 52.23 O ATOM 5 CB MET A 1 -13.669 -11.018 -26.845 1.00 13.11 C ATOM 6 CG MET A 1 -12.859 -9.740 -27.031 1.00 63.24 C ATOM 7 SD MET A 1 -11.352 -10.012 -27.988 1.00 3.34 S ATOM 8 CE MET A 1 -10.671 -8.352 -28.035 1.00 32.01 C ATOM 0 H1 MET A 1 -15.539 -9.653 -27.591 1.00 34.34 H new ATOM 0 H2 MET A 1 -16.809 -10.161 -26.586 1.00 34.34 H new ATOM 0 H3 MET A 1 -15.757 -8.932 -26.069 1.00 34.34 H new ATOM 0 HA MET A 1 -15.481 -11.784 -25.964 1.00 13.11 H new ATOM 0 HB2 MET A 1 -13.035 -11.773 -26.380 1.00 13.11 H new ATOM 0 HB3 MET A 1 -13.954 -11.401 -27.825 1.00 13.11 H new ATOM 0 HG2 MET A 1 -13.474 -8.993 -27.532 1.00 63.24 H new ATOM 0 HG3 MET A 1 -12.597 -9.334 -26.054 1.00 63.24 H new ATOM 0 HE1 MET A 1 -9.735 -8.358 -28.594 1.00 32.01 H new ATOM 0 HE2 MET A 1 -11.380 -7.682 -28.521 1.00 32.01 H new ATOM 0 HE3 MET A 1 -10.484 -8.007 -27.018 1.00 32.01 H new ATOM 20 N GLY A 2 -14.284 -11.494 -23.743 1.00 41.20 N ATOM 21 CA GLY A 2 -13.941 -11.285 -22.341 1.00 12.24 C ATOM 22 C GLY A 2 -14.045 -12.562 -21.510 1.00 21.52 C ATOM 23 O GLY A 2 -14.739 -13.510 -21.891 1.00 31.11 O ATOM 0 H GLY A 2 -14.291 -12.471 -24.035 1.00 41.20 H new ATOM 0 HA2 GLY A 2 -12.925 -10.895 -22.274 1.00 12.24 H new ATOM 0 HA3 GLY A 2 -14.601 -10.527 -21.919 1.00 12.24 H new ATOM 27 N HIS A 3 -13.355 -12.590 -20.370 1.00 75.24 N ATOM 28 CA HIS A 3 -13.358 -13.772 -19.494 1.00 2.42 C ATOM 29 C HIS A 3 -13.503 -13.409 -18.008 1.00 2.15 C ATOM 30 O HIS A 3 -13.149 -14.199 -17.136 1.00 71.22 O ATOM 31 CB HIS A 3 -12.084 -14.602 -19.724 1.00 61.42 C ATOM 32 CG HIS A 3 -10.818 -13.797 -19.774 1.00 54.25 C ATOM 33 ND1 HIS A 3 -10.164 -13.512 -20.953 1.00 3.00 N ATOM 34 CD2 HIS A 3 -10.076 -13.225 -18.792 1.00 61.22 C ATOM 35 CE1 HIS A 3 -9.081 -12.805 -20.700 1.00 35.13 C ATOM 36 NE2 HIS A 3 -9.003 -12.615 -19.399 1.00 35.35 N ATOM 0 H HIS A 3 -12.788 -11.814 -20.029 1.00 75.24 H new ATOM 0 HA HIS A 3 -14.233 -14.366 -19.758 1.00 2.42 H new ATOM 0 HB2 HIS A 3 -11.998 -15.341 -18.928 1.00 61.42 H new ATOM 0 HB3 HIS A 3 -12.187 -15.152 -20.660 1.00 61.42 H new ATOM 0 HD2 HIS A 3 -10.288 -13.245 -17.733 1.00 61.22 H new ATOM 0 HE1 HIS A 3 -8.377 -12.443 -21.435 1.00 35.13 H new ATOM 0 HE2 HIS A 3 -8.266 -12.099 -18.919 1.00 35.35 H new ATOM 45 N HIS A 4 -14.039 -12.226 -17.720 1.00 14.24 N ATOM 46 CA HIS A 4 -14.285 -11.810 -16.331 1.00 74.20 C ATOM 47 C HIS A 4 -15.778 -11.898 -15.975 1.00 71.02 C ATOM 48 O HIS A 4 -16.548 -10.985 -16.264 1.00 43.34 O ATOM 49 CB HIS A 4 -13.776 -10.381 -16.095 1.00 63.01 C ATOM 50 CG HIS A 4 -12.293 -10.240 -16.253 1.00 33.15 C ATOM 51 ND1 HIS A 4 -11.399 -10.495 -15.237 1.00 51.12 N ATOM 52 CD2 HIS A 4 -11.543 -9.871 -17.318 1.00 31.43 C ATOM 53 CE1 HIS A 4 -10.172 -10.291 -15.666 1.00 33.53 C ATOM 54 NE2 HIS A 4 -10.229 -9.913 -16.925 1.00 10.20 N ATOM 0 H HIS A 4 -14.312 -11.538 -18.421 1.00 14.24 H new ATOM 0 HA HIS A 4 -13.738 -12.495 -15.683 1.00 74.20 H new ATOM 0 HB2 HIS A 4 -14.273 -9.707 -16.793 1.00 63.01 H new ATOM 0 HB3 HIS A 4 -14.058 -10.065 -15.091 1.00 63.01 H new ATOM 0 HD2 HIS A 4 -11.911 -9.595 -18.295 1.00 31.43 H new ATOM 0 HE1 HIS A 4 -9.271 -10.413 -15.083 1.00 33.53 H new ATOM 0 HE2 HIS A 4 -9.427 -9.688 -17.513 1.00 10.20 H new ATOM 63 N HIS A 5 -16.182 -13.010 -15.362 1.00 42.04 N ATOM 64 CA HIS A 5 -17.582 -13.207 -14.947 1.00 50.24 C ATOM 65 C HIS A 5 -17.754 -13.143 -13.420 1.00 62.21 C ATOM 66 O HIS A 5 -18.871 -13.008 -12.924 1.00 2.23 O ATOM 67 CB HIS A 5 -18.112 -14.550 -15.468 1.00 22.14 C ATOM 68 CG HIS A 5 -18.268 -14.597 -16.957 1.00 15.33 C ATOM 69 ND1 HIS A 5 -19.450 -14.288 -17.597 1.00 24.11 N ATOM 70 CD2 HIS A 5 -17.389 -14.919 -17.937 1.00 1.53 C ATOM 71 CE1 HIS A 5 -19.293 -14.416 -18.898 1.00 71.04 C ATOM 72 NE2 HIS A 5 -18.053 -14.796 -19.133 1.00 13.34 N ATOM 0 H HIS A 5 -15.565 -13.791 -15.139 1.00 42.04 H new ATOM 0 HA HIS A 5 -18.158 -12.390 -15.381 1.00 50.24 H new ATOM 0 HB2 HIS A 5 -17.433 -15.344 -15.157 1.00 22.14 H new ATOM 0 HB3 HIS A 5 -19.076 -14.755 -15.003 1.00 22.14 H new ATOM 0 HD2 HIS A 5 -16.360 -15.217 -17.803 1.00 1.53 H new ATOM 0 HE1 HIS A 5 -20.052 -14.239 -19.646 1.00 71.04 H new ATOM 0 HE2 HIS A 5 -17.651 -14.971 -20.054 1.00 13.34 H new ATOM 81 N HIS A 6 -16.655 -13.229 -12.677 1.00 22.41 N ATOM 82 CA HIS A 6 -16.723 -13.247 -11.210 1.00 2.23 C ATOM 83 C HIS A 6 -17.007 -11.847 -10.631 1.00 1.02 C ATOM 84 O HIS A 6 -16.089 -11.122 -10.232 1.00 4.30 O ATOM 85 CB HIS A 6 -15.431 -13.824 -10.620 1.00 41.10 C ATOM 86 CG HIS A 6 -15.248 -15.285 -10.903 1.00 14.21 C ATOM 87 ND1 HIS A 6 -15.496 -16.267 -9.971 1.00 24.55 N ATOM 88 CD2 HIS A 6 -14.843 -15.932 -12.023 1.00 41.12 C ATOM 89 CE1 HIS A 6 -15.253 -17.446 -10.498 1.00 32.30 C ATOM 90 NE2 HIS A 6 -14.859 -17.276 -11.743 1.00 11.33 N ATOM 0 H HIS A 6 -15.711 -13.287 -13.058 1.00 22.41 H new ATOM 0 HA HIS A 6 -17.556 -13.890 -10.928 1.00 2.23 H new ATOM 0 HB2 HIS A 6 -14.580 -13.274 -11.022 1.00 41.10 H new ATOM 0 HB3 HIS A 6 -15.431 -13.668 -9.541 1.00 41.10 H new ATOM 0 HD2 HIS A 6 -14.561 -15.476 -12.960 1.00 41.12 H new ATOM 0 HE1 HIS A 6 -15.359 -18.396 -9.994 1.00 32.30 H new ATOM 0 HE2 HIS A 6 -14.607 -18.021 -12.393 1.00 11.33 H new ATOM 99 N HIS A 7 -18.286 -11.470 -10.602 1.00 73.11 N ATOM 100 CA HIS A 7 -18.712 -10.172 -10.057 1.00 25.13 C ATOM 101 C HIS A 7 -19.840 -10.343 -9.024 1.00 62.13 C ATOM 102 O HIS A 7 -20.958 -10.731 -9.370 1.00 75.14 O ATOM 103 CB HIS A 7 -19.199 -9.242 -11.182 1.00 13.12 C ATOM 104 CG HIS A 7 -18.170 -8.942 -12.232 1.00 24.41 C ATOM 105 ND1 HIS A 7 -18.351 -9.238 -13.564 1.00 43.44 N ATOM 106 CD2 HIS A 7 -16.958 -8.339 -12.148 1.00 13.34 C ATOM 107 CE1 HIS A 7 -17.303 -8.838 -14.253 1.00 11.52 C ATOM 108 NE2 HIS A 7 -16.441 -8.289 -13.421 1.00 55.03 N ATOM 0 H HIS A 7 -19.052 -12.046 -10.951 1.00 73.11 H new ATOM 0 HA HIS A 7 -17.846 -9.728 -9.566 1.00 25.13 H new ATOM 0 HB2 HIS A 7 -20.067 -9.696 -11.661 1.00 13.12 H new ATOM 0 HB3 HIS A 7 -19.533 -8.303 -10.741 1.00 13.12 H new ATOM 0 HD2 HIS A 7 -16.487 -7.968 -11.250 1.00 13.34 H new ATOM 0 HE1 HIS A 7 -17.172 -8.942 -15.320 1.00 11.52 H new ATOM 0 HE2 HIS A 7 -15.538 -7.892 -13.679 1.00 55.03 H new ATOM 117 N HIS A 8 -19.543 -10.060 -7.758 1.00 65.44 N ATOM 118 CA HIS A 8 -20.570 -10.042 -6.708 1.00 12.01 C ATOM 119 C HIS A 8 -20.444 -8.763 -5.859 1.00 60.11 C ATOM 120 O HIS A 8 -19.461 -8.573 -5.140 1.00 64.41 O ATOM 121 CB HIS A 8 -20.495 -11.311 -5.831 1.00 52.33 C ATOM 122 CG HIS A 8 -19.222 -11.480 -5.051 1.00 51.41 C ATOM 123 ND1 HIS A 8 -18.072 -12.023 -5.583 1.00 20.32 N ATOM 124 CD2 HIS A 8 -18.932 -11.198 -3.755 1.00 24.00 C ATOM 125 CE1 HIS A 8 -17.138 -12.070 -4.653 1.00 41.24 C ATOM 126 NE2 HIS A 8 -17.632 -11.576 -3.539 1.00 14.22 N ATOM 0 H HIS A 8 -18.603 -9.840 -7.430 1.00 65.44 H new ATOM 0 HA HIS A 8 -21.550 -10.038 -7.185 1.00 12.01 H new ATOM 0 HB2 HIS A 8 -21.331 -11.299 -5.132 1.00 52.33 H new ATOM 0 HB3 HIS A 8 -20.628 -12.183 -6.471 1.00 52.33 H new ATOM 0 HD2 HIS A 8 -19.600 -10.758 -3.030 1.00 24.00 H new ATOM 0 HE1 HIS A 8 -16.136 -12.450 -4.784 1.00 41.24 H new ATOM 0 HE2 HIS A 8 -17.129 -11.488 -2.656 1.00 14.22 H new ATOM 135 N SER A 9 -21.441 -7.884 -5.951 1.00 43.31 N ATOM 136 CA SER A 9 -21.385 -6.562 -5.303 1.00 22.44 C ATOM 137 C SER A 9 -21.791 -6.623 -3.822 1.00 32.33 C ATOM 138 O SER A 9 -22.744 -5.969 -3.394 1.00 33.22 O ATOM 139 CB SER A 9 -22.272 -5.561 -6.061 1.00 64.21 C ATOM 140 OG SER A 9 -23.603 -6.041 -6.192 1.00 72.51 O ATOM 0 H SER A 9 -22.303 -8.059 -6.468 1.00 43.31 H new ATOM 0 HA SER A 9 -20.349 -6.225 -5.339 1.00 22.44 H new ATOM 0 HB2 SER A 9 -22.278 -4.607 -5.534 1.00 64.21 H new ATOM 0 HB3 SER A 9 -21.852 -5.376 -7.050 1.00 64.21 H new ATOM 0 HG SER A 9 -23.990 -6.178 -5.302 1.00 72.51 H new ATOM 146 N HIS A 10 -21.062 -7.426 -3.047 1.00 71.22 N ATOM 147 CA HIS A 10 -21.257 -7.528 -1.592 1.00 3.42 C ATOM 148 C HIS A 10 -19.934 -7.910 -0.906 1.00 4.01 C ATOM 149 O HIS A 10 -19.675 -9.087 -0.648 1.00 63.35 O ATOM 150 CB HIS A 10 -22.346 -8.563 -1.247 1.00 74.12 C ATOM 151 CG HIS A 10 -23.734 -8.156 -1.647 1.00 55.24 C ATOM 152 ND1 HIS A 10 -24.510 -7.293 -0.904 1.00 24.53 N ATOM 153 CD2 HIS A 10 -24.487 -8.494 -2.724 1.00 22.03 C ATOM 154 CE1 HIS A 10 -25.671 -7.120 -1.500 1.00 52.44 C ATOM 155 NE2 HIS A 10 -25.686 -7.835 -2.606 1.00 43.02 N ATOM 0 H HIS A 10 -20.319 -8.026 -3.405 1.00 71.22 H new ATOM 0 HA HIS A 10 -21.584 -6.555 -1.227 1.00 3.42 H new ATOM 0 HB2 HIS A 10 -22.102 -9.506 -1.735 1.00 74.12 H new ATOM 0 HB3 HIS A 10 -22.329 -8.746 -0.173 1.00 74.12 H new ATOM 0 HD2 HIS A 10 -24.197 -9.158 -3.525 1.00 22.03 H new ATOM 0 HE1 HIS A 10 -26.477 -6.496 -1.142 1.00 52.44 H new ATOM 0 HE2 HIS A 10 -26.461 -7.890 -3.267 1.00 43.02 H new ATOM 164 N MET A 11 -19.081 -6.915 -0.647 1.00 60.50 N ATOM 165 CA MET A 11 -17.746 -7.166 -0.076 1.00 43.33 C ATOM 166 C MET A 11 -17.355 -6.116 0.981 1.00 52.11 C ATOM 167 O MET A 11 -17.802 -4.967 0.939 1.00 4.15 O ATOM 168 CB MET A 11 -16.686 -7.176 -1.191 1.00 13.14 C ATOM 169 CG MET A 11 -16.867 -8.284 -2.222 1.00 45.12 C ATOM 170 SD MET A 11 -16.683 -9.934 -1.513 1.00 33.42 S ATOM 171 CE MET A 11 -14.979 -9.887 -0.963 1.00 74.33 C ATOM 0 H MET A 11 -19.286 -5.931 -0.821 1.00 60.50 H new ATOM 0 HA MET A 11 -17.788 -8.139 0.414 1.00 43.33 H new ATOM 0 HB2 MET A 11 -16.705 -6.214 -1.703 1.00 13.14 H new ATOM 0 HB3 MET A 11 -15.700 -7.276 -0.737 1.00 13.14 H new ATOM 0 HG2 MET A 11 -17.855 -8.196 -2.674 1.00 45.12 H new ATOM 0 HG3 MET A 11 -16.138 -8.153 -3.021 1.00 45.12 H new ATOM 0 HE1 MET A 11 -14.615 -10.904 -0.819 1.00 74.33 H new ATOM 0 HE2 MET A 11 -14.368 -9.386 -1.714 1.00 74.33 H new ATOM 0 HE3 MET A 11 -14.916 -9.342 -0.021 1.00 74.33 H new ATOM 181 N THR A 12 -16.504 -6.529 1.921 1.00 1.24 N ATOM 182 CA THR A 12 -15.937 -5.624 2.937 1.00 61.42 C ATOM 183 C THR A 12 -14.402 -5.733 2.984 1.00 45.53 C ATOM 184 O THR A 12 -13.810 -6.632 2.377 1.00 20.01 O ATOM 185 CB THR A 12 -16.507 -5.903 4.352 1.00 21.02 C ATOM 186 OG1 THR A 12 -15.886 -5.032 5.312 1.00 43.50 O ATOM 187 CG2 THR A 12 -16.291 -7.359 4.760 1.00 73.50 C ATOM 0 H THR A 12 -16.186 -7.495 2.005 1.00 1.24 H new ATOM 0 HA THR A 12 -16.223 -4.615 2.641 1.00 61.42 H new ATOM 0 HB THR A 12 -17.580 -5.712 4.326 1.00 21.02 H new ATOM 0 HG1 THR A 12 -16.252 -5.213 6.203 1.00 43.50 H new ATOM 0 HG21 THR A 12 -16.702 -7.522 5.756 1.00 73.50 H new ATOM 0 HG22 THR A 12 -16.793 -8.015 4.049 1.00 73.50 H new ATOM 0 HG23 THR A 12 -15.224 -7.581 4.766 1.00 73.50 H new ATOM 195 N GLY A 13 -13.761 -4.825 3.716 1.00 4.32 N ATOM 196 CA GLY A 13 -12.300 -4.763 3.745 1.00 23.40 C ATOM 197 C GLY A 13 -11.639 -5.869 4.570 1.00 44.51 C ATOM 198 O GLY A 13 -11.998 -6.092 5.726 1.00 43.43 O ATOM 0 H GLY A 13 -14.226 -4.125 4.294 1.00 4.32 H new ATOM 0 HA2 GLY A 13 -11.925 -4.815 2.723 1.00 23.40 H new ATOM 0 HA3 GLY A 13 -11.997 -3.796 4.146 1.00 23.40 H new ATOM 202 N ASN A 14 -10.664 -6.560 3.971 1.00 72.53 N ATOM 203 CA ASN A 14 -9.892 -7.600 4.671 1.00 4.04 C ATOM 204 C ASN A 14 -8.414 -7.197 4.823 1.00 23.04 C ATOM 205 O ASN A 14 -7.884 -7.145 5.935 1.00 73.31 O ATOM 206 CB ASN A 14 -9.984 -8.940 3.929 1.00 23.14 C ATOM 207 CG ASN A 14 -11.397 -9.491 3.879 1.00 14.33 C ATOM 208 OD1 ASN A 14 -11.848 -10.159 4.804 1.00 4.43 O ATOM 209 ND2 ASN A 14 -12.103 -9.236 2.796 1.00 50.51 N ATOM 0 H ASN A 14 -10.387 -6.419 2.999 1.00 72.53 H new ATOM 0 HA ASN A 14 -10.326 -7.710 5.665 1.00 4.04 H new ATOM 0 HB2 ASN A 14 -9.613 -8.813 2.912 1.00 23.14 H new ATOM 0 HB3 ASN A 14 -9.333 -9.666 4.417 1.00 23.14 H new ATOM 0 HD21 ASN A 14 -13.053 -9.597 2.710 1.00 50.51 H new ATOM 0 HD22 ASN A 14 -11.700 -8.677 2.044 1.00 50.51 H new ATOM 216 N VAL A 15 -7.754 -6.931 3.694 1.00 31.44 N ATOM 217 CA VAL A 15 -6.345 -6.517 3.686 1.00 12.13 C ATOM 218 C VAL A 15 -6.175 -5.097 4.258 1.00 23.02 C ATOM 219 O VAL A 15 -7.018 -4.226 4.041 1.00 50.03 O ATOM 220 CB VAL A 15 -5.762 -6.562 2.247 1.00 54.44 C ATOM 221 CG1 VAL A 15 -4.270 -6.224 2.243 1.00 55.41 C ATOM 222 CG2 VAL A 15 -6.017 -7.926 1.602 1.00 32.52 C ATOM 0 H VAL A 15 -8.174 -6.995 2.767 1.00 31.44 H new ATOM 0 HA VAL A 15 -5.801 -7.219 4.318 1.00 12.13 H new ATOM 0 HB VAL A 15 -6.274 -5.804 1.654 1.00 54.44 H new ATOM 0 HG11 VAL A 15 -3.891 -6.264 1.222 1.00 55.41 H new ATOM 0 HG12 VAL A 15 -4.123 -5.222 2.646 1.00 55.41 H new ATOM 0 HG13 VAL A 15 -3.732 -6.945 2.858 1.00 55.41 H new ATOM 0 HG21 VAL A 15 -5.601 -7.936 0.595 1.00 32.52 H new ATOM 0 HG22 VAL A 15 -5.542 -8.705 2.198 1.00 32.52 H new ATOM 0 HG23 VAL A 15 -7.090 -8.110 1.553 1.00 32.52 H new ATOM 232 N CYS A 16 -5.080 -4.868 4.982 1.00 52.12 N ATOM 233 CA CYS A 16 -4.823 -3.561 5.605 1.00 0.24 C ATOM 234 C CYS A 16 -3.336 -3.182 5.537 1.00 53.24 C ATOM 235 O CYS A 16 -2.495 -3.980 5.124 1.00 43.43 O ATOM 236 CB CYS A 16 -5.288 -3.566 7.068 1.00 74.05 C ATOM 237 SG CYS A 16 -4.983 -2.013 7.950 1.00 54.13 S ATOM 0 H CYS A 16 -4.356 -5.565 5.154 1.00 52.12 H new ATOM 0 HA CYS A 16 -5.389 -2.816 5.045 1.00 0.24 H new ATOM 0 HB2 CYS A 16 -6.356 -3.784 7.097 1.00 74.05 H new ATOM 0 HB3 CYS A 16 -4.783 -4.375 7.595 1.00 74.05 H new ATOM 0 HG CYS A 16 -5.412 -2.117 9.173 1.00 54.13 H new ATOM 243 N ILE A 17 -3.019 -1.957 5.951 1.00 73.21 N ATOM 244 CA ILE A 17 -1.636 -1.465 5.943 1.00 44.14 C ATOM 245 C ILE A 17 -0.862 -1.954 7.176 1.00 4.12 C ATOM 246 O ILE A 17 -1.314 -1.778 8.307 1.00 24.40 O ATOM 247 CB ILE A 17 -1.582 0.087 5.925 1.00 23.55 C ATOM 248 CG1 ILE A 17 -2.391 0.650 4.748 1.00 51.15 C ATOM 249 CG2 ILE A 17 -0.133 0.577 5.862 1.00 42.35 C ATOM 250 CD1 ILE A 17 -2.474 2.164 4.732 1.00 55.15 C ATOM 0 H ILE A 17 -3.701 -1.282 6.298 1.00 73.21 H new ATOM 0 HA ILE A 17 -1.177 -1.859 5.036 1.00 44.14 H new ATOM 0 HB ILE A 17 -2.029 0.450 6.850 1.00 23.55 H new ATOM 0 HG12 ILE A 17 -1.942 0.310 3.815 1.00 51.15 H new ATOM 0 HG13 ILE A 17 -3.400 0.240 4.784 1.00 51.15 H new ATOM 0 HG21 ILE A 17 -0.118 1.667 5.850 1.00 42.35 H new ATOM 0 HG22 ILE A 17 0.411 0.216 6.734 1.00 42.35 H new ATOM 0 HG23 ILE A 17 0.340 0.198 4.956 1.00 42.35 H new ATOM 0 HD11 ILE A 17 -3.061 2.487 3.872 1.00 55.15 H new ATOM 0 HD12 ILE A 17 -2.951 2.512 5.648 1.00 55.15 H new ATOM 0 HD13 ILE A 17 -1.470 2.583 4.664 1.00 55.15 H new ATOM 262 N GLU A 18 0.301 -2.565 6.957 1.00 10.13 N ATOM 263 CA GLU A 18 1.207 -2.899 8.059 1.00 10.33 C ATOM 264 C GLU A 18 2.032 -1.664 8.441 1.00 10.14 C ATOM 265 O GLU A 18 1.996 -1.215 9.587 1.00 65.14 O ATOM 266 CB GLU A 18 2.119 -4.075 7.677 1.00 71.44 C ATOM 267 CG GLU A 18 3.175 -4.399 8.734 1.00 25.05 C ATOM 268 CD GLU A 18 3.861 -5.738 8.505 1.00 22.52 C ATOM 269 OE1 GLU A 18 4.195 -6.056 7.345 1.00 65.32 O ATOM 270 OE2 GLU A 18 4.083 -6.471 9.497 1.00 65.51 O ATOM 0 H GLU A 18 0.638 -2.838 6.034 1.00 10.13 H new ATOM 0 HA GLU A 18 0.617 -3.207 8.923 1.00 10.33 H new ATOM 0 HB2 GLU A 18 1.505 -4.959 7.506 1.00 71.44 H new ATOM 0 HB3 GLU A 18 2.618 -3.846 6.735 1.00 71.44 H new ATOM 0 HG2 GLU A 18 3.927 -3.610 8.741 1.00 25.05 H new ATOM 0 HG3 GLU A 18 2.706 -4.402 9.718 1.00 25.05 H new ATOM 277 N GLU A 19 2.774 -1.132 7.460 1.00 21.11 N ATOM 278 CA GLU A 19 3.448 0.172 7.577 1.00 34.34 C ATOM 279 C GLU A 19 4.345 0.444 6.355 1.00 4.04 C ATOM 280 O GLU A 19 4.842 -0.480 5.710 1.00 22.44 O ATOM 281 CB GLU A 19 4.274 0.287 8.875 1.00 54.40 C ATOM 282 CG GLU A 19 4.880 1.674 9.087 1.00 42.23 C ATOM 283 CD GLU A 19 5.270 1.944 10.530 1.00 22.14 C ATOM 284 OE1 GLU A 19 6.362 1.513 10.952 1.00 65.34 O ATOM 285 OE2 GLU A 19 4.479 2.589 11.253 1.00 51.01 O ATOM 0 H GLU A 19 2.925 -1.592 6.562 1.00 21.11 H new ATOM 0 HA GLU A 19 2.663 0.927 7.615 1.00 34.34 H new ATOM 0 HB2 GLU A 19 3.637 0.043 9.725 1.00 54.40 H new ATOM 0 HB3 GLU A 19 5.075 -0.452 8.854 1.00 54.40 H new ATOM 0 HG2 GLU A 19 5.761 1.779 8.454 1.00 42.23 H new ATOM 0 HG3 GLU A 19 4.164 2.429 8.764 1.00 42.23 H new ATOM 292 N ILE A 20 4.545 1.723 6.047 1.00 11.10 N ATOM 293 CA ILE A 20 5.361 2.142 4.900 1.00 40.42 C ATOM 294 C ILE A 20 6.862 1.891 5.160 1.00 74.30 C ATOM 295 O ILE A 20 7.275 1.685 6.306 1.00 71.44 O ATOM 296 CB ILE A 20 5.122 3.649 4.604 1.00 13.35 C ATOM 297 CG1 ILE A 20 3.613 3.952 4.601 1.00 23.15 C ATOM 298 CG2 ILE A 20 5.753 4.059 3.273 1.00 35.00 C ATOM 299 CD1 ILE A 20 3.282 5.428 4.525 1.00 55.32 C ATOM 0 H ILE A 20 4.150 2.498 6.580 1.00 11.10 H new ATOM 0 HA ILE A 20 5.062 1.548 4.036 1.00 40.42 H new ATOM 0 HB ILE A 20 5.600 4.232 5.392 1.00 13.35 H new ATOM 0 HG12 ILE A 20 3.152 3.443 3.755 1.00 23.15 H new ATOM 0 HG13 ILE A 20 3.167 3.536 5.505 1.00 23.15 H new ATOM 0 HG21 ILE A 20 5.569 5.118 3.094 1.00 35.00 H new ATOM 0 HG22 ILE A 20 6.827 3.878 3.309 1.00 35.00 H new ATOM 0 HG23 ILE A 20 5.313 3.473 2.466 1.00 35.00 H new ATOM 0 HD11 ILE A 20 2.200 5.559 4.527 1.00 55.32 H new ATOM 0 HD12 ILE A 20 3.712 5.942 5.385 1.00 55.32 H new ATOM 0 HD13 ILE A 20 3.696 5.847 3.608 1.00 55.32 H new ATOM 311 N ASP A 21 7.671 1.885 4.098 1.00 21.24 N ATOM 312 CA ASP A 21 9.119 1.686 4.226 1.00 40.04 C ATOM 313 C ASP A 21 9.776 2.790 5.075 1.00 13.21 C ATOM 314 O ASP A 21 9.320 3.933 5.099 1.00 31.35 O ATOM 315 CB ASP A 21 9.761 1.631 2.837 1.00 62.43 C ATOM 316 CG ASP A 21 11.278 1.597 2.895 1.00 20.31 C ATOM 317 OD1 ASP A 21 11.838 0.678 3.526 1.00 33.11 O ATOM 318 OD2 ASP A 21 11.914 2.500 2.315 1.00 73.24 O ATOM 0 H ASP A 21 7.349 2.016 3.139 1.00 21.24 H new ATOM 0 HA ASP A 21 9.283 0.739 4.740 1.00 40.04 H new ATOM 0 HB2 ASP A 21 9.402 0.747 2.310 1.00 62.43 H new ATOM 0 HB3 ASP A 21 9.443 2.499 2.259 1.00 62.43 H new ATOM 323 N VAL A 22 10.866 2.431 5.752 1.00 41.34 N ATOM 324 CA VAL A 22 11.554 3.345 6.667 1.00 31.30 C ATOM 325 C VAL A 22 12.293 4.475 5.919 1.00 2.31 C ATOM 326 O VAL A 22 12.391 5.601 6.418 1.00 25.23 O ATOM 327 CB VAL A 22 12.550 2.569 7.570 1.00 23.43 C ATOM 328 CG1 VAL A 22 13.646 1.900 6.739 1.00 63.42 C ATOM 329 CG2 VAL A 22 13.152 3.481 8.638 1.00 63.24 C ATOM 0 H VAL A 22 11.295 1.508 5.684 1.00 41.34 H new ATOM 0 HA VAL A 22 10.787 3.807 7.289 1.00 31.30 H new ATOM 0 HB VAL A 22 11.991 1.783 8.078 1.00 23.43 H new ATOM 0 HG11 VAL A 22 14.328 1.365 7.400 1.00 63.42 H new ATOM 0 HG12 VAL A 22 13.194 1.198 6.038 1.00 63.42 H new ATOM 0 HG13 VAL A 22 14.198 2.660 6.186 1.00 63.42 H new ATOM 0 HG21 VAL A 22 13.846 2.910 9.255 1.00 63.24 H new ATOM 0 HG22 VAL A 22 13.685 4.302 8.158 1.00 63.24 H new ATOM 0 HG23 VAL A 22 12.356 3.883 9.264 1.00 63.24 H new ATOM 339 N ASP A 23 12.811 4.172 4.728 1.00 54.32 N ATOM 340 CA ASP A 23 13.524 5.167 3.911 1.00 15.12 C ATOM 341 C ASP A 23 12.549 5.934 2.999 1.00 73.22 C ATOM 342 O ASP A 23 12.764 7.106 2.677 1.00 14.35 O ATOM 343 CB ASP A 23 14.608 4.472 3.072 1.00 62.21 C ATOM 344 CG ASP A 23 15.393 5.440 2.199 1.00 32.43 C ATOM 345 OD1 ASP A 23 16.356 6.057 2.699 1.00 34.33 O ATOM 346 OD2 ASP A 23 15.058 5.584 1.005 1.00 32.22 O ATOM 0 H ASP A 23 12.752 3.246 4.304 1.00 54.32 H new ATOM 0 HA ASP A 23 13.996 5.888 4.578 1.00 15.12 H new ATOM 0 HB2 ASP A 23 15.296 3.951 3.737 1.00 62.21 H new ATOM 0 HB3 ASP A 23 14.142 3.716 2.440 1.00 62.21 H new ATOM 351 N GLY A 24 11.475 5.262 2.594 1.00 64.23 N ATOM 352 CA GLY A 24 10.489 5.866 1.704 1.00 71.04 C ATOM 353 C GLY A 24 10.633 5.400 0.257 1.00 73.32 C ATOM 354 O GLY A 24 10.434 6.178 -0.675 1.00 33.02 O ATOM 0 H GLY A 24 11.266 4.302 2.867 1.00 64.23 H new ATOM 0 HA2 GLY A 24 9.488 5.624 2.061 1.00 71.04 H new ATOM 0 HA3 GLY A 24 10.588 6.951 1.743 1.00 71.04 H new ATOM 358 N LYS A 25 11.000 4.131 0.076 1.00 33.30 N ATOM 359 CA LYS A 25 11.142 3.541 -1.263 1.00 10.20 C ATOM 360 C LYS A 25 9.874 2.782 -1.689 1.00 53.41 C ATOM 361 O LYS A 25 9.574 2.676 -2.880 1.00 74.41 O ATOM 362 CB LYS A 25 12.337 2.575 -1.293 1.00 1.35 C ATOM 363 CG LYS A 25 13.647 3.188 -0.814 1.00 23.12 C ATOM 364 CD LYS A 25 14.815 2.217 -0.975 1.00 21.34 C ATOM 365 CE LYS A 25 16.098 2.760 -0.355 1.00 33.22 C ATOM 366 NZ LYS A 25 16.435 4.119 -0.861 1.00 63.24 N ATOM 0 H LYS A 25 11.206 3.487 0.840 1.00 33.30 H new ATOM 0 HA LYS A 25 11.305 4.361 -1.962 1.00 10.20 H new ATOM 0 HB2 LYS A 25 12.106 1.709 -0.673 1.00 1.35 H new ATOM 0 HB3 LYS A 25 12.470 2.211 -2.312 1.00 1.35 H new ATOM 0 HG2 LYS A 25 13.850 4.099 -1.377 1.00 23.12 H new ATOM 0 HG3 LYS A 25 13.553 3.475 0.233 1.00 23.12 H new ATOM 0 HD2 LYS A 25 14.562 1.265 -0.509 1.00 21.34 H new ATOM 0 HD3 LYS A 25 14.979 2.020 -2.034 1.00 21.34 H new ATOM 0 HE2 LYS A 25 15.990 2.794 0.729 1.00 33.22 H new ATOM 0 HE3 LYS A 25 16.921 2.079 -0.572 1.00 33.22 H new ATOM 0 HZ1 LYS A 25 17.463 4.194 -0.997 1.00 63.24 H new ATOM 0 HZ2 LYS A 25 15.953 4.281 -1.768 1.00 63.24 H new ATOM 0 HZ3 LYS A 25 16.124 4.833 -0.172 1.00 63.24 H new ATOM 380 N PHE A 26 9.140 2.247 -0.711 1.00 74.41 N ATOM 381 CA PHE A 26 7.951 1.433 -0.996 1.00 71.44 C ATOM 382 C PHE A 26 6.938 1.456 0.160 1.00 32.43 C ATOM 383 O PHE A 26 7.180 2.043 1.215 1.00 31.40 O ATOM 384 CB PHE A 26 8.366 -0.019 -1.303 1.00 24.54 C ATOM 385 CG PHE A 26 9.113 -0.708 -0.182 1.00 13.44 C ATOM 386 CD1 PHE A 26 8.426 -1.353 0.841 1.00 71.22 C ATOM 387 CD2 PHE A 26 10.501 -0.713 -0.155 1.00 61.42 C ATOM 388 CE1 PHE A 26 9.111 -1.986 1.864 1.00 21.51 C ATOM 389 CE2 PHE A 26 11.187 -1.346 0.864 1.00 11.00 C ATOM 390 CZ PHE A 26 10.492 -1.983 1.874 1.00 54.44 C ATOM 0 H PHE A 26 9.345 2.361 0.282 1.00 74.41 H new ATOM 0 HA PHE A 26 7.461 1.868 -1.867 1.00 71.44 H new ATOM 0 HB2 PHE A 26 7.472 -0.597 -1.536 1.00 24.54 H new ATOM 0 HB3 PHE A 26 8.991 -0.024 -2.196 1.00 24.54 H new ATOM 0 HD1 PHE A 26 7.346 -1.360 0.837 1.00 71.22 H new ATOM 0 HD2 PHE A 26 11.051 -0.216 -0.940 1.00 61.42 H new ATOM 0 HE1 PHE A 26 8.566 -2.482 2.654 1.00 21.51 H new ATOM 0 HE2 PHE A 26 12.267 -1.343 0.871 1.00 11.00 H new ATOM 0 HZ PHE A 26 11.028 -2.478 2.670 1.00 54.44 H new ATOM 400 N ILE A 27 5.798 0.809 -0.057 1.00 53.01 N ATOM 401 CA ILE A 27 4.753 0.673 0.962 1.00 74.52 C ATOM 402 C ILE A 27 4.503 -0.815 1.262 1.00 2.11 C ATOM 403 O ILE A 27 4.477 -1.638 0.350 1.00 52.15 O ATOM 404 CB ILE A 27 3.429 1.331 0.487 1.00 52.24 C ATOM 405 CG1 ILE A 27 3.691 2.761 -0.022 1.00 75.53 C ATOM 406 CG2 ILE A 27 2.394 1.342 1.616 1.00 30.00 C ATOM 407 CD1 ILE A 27 2.485 3.416 -0.664 1.00 3.44 C ATOM 0 H ILE A 27 5.568 0.362 -0.945 1.00 53.01 H new ATOM 0 HA ILE A 27 5.092 1.179 1.866 1.00 74.52 H new ATOM 0 HB ILE A 27 3.028 0.740 -0.336 1.00 52.24 H new ATOM 0 HG12 ILE A 27 4.025 3.377 0.813 1.00 75.53 H new ATOM 0 HG13 ILE A 27 4.506 2.735 -0.746 1.00 75.53 H new ATOM 0 HG21 ILE A 27 1.474 1.807 1.262 1.00 30.00 H new ATOM 0 HG22 ILE A 27 2.186 0.319 1.929 1.00 30.00 H new ATOM 0 HG23 ILE A 27 2.784 1.908 2.462 1.00 30.00 H new ATOM 0 HD11 ILE A 27 2.750 4.420 -0.996 1.00 3.44 H new ATOM 0 HD12 ILE A 27 2.162 2.824 -1.520 1.00 3.44 H new ATOM 0 HD13 ILE A 27 1.674 3.476 0.062 1.00 3.44 H new ATOM 419 N ARG A 28 4.328 -1.167 2.534 1.00 24.01 N ATOM 420 CA ARG A 28 4.139 -2.572 2.918 1.00 33.43 C ATOM 421 C ARG A 28 2.780 -2.802 3.604 1.00 4.32 C ATOM 422 O ARG A 28 2.544 -2.344 4.726 1.00 2.14 O ATOM 423 CB ARG A 28 5.290 -3.023 3.830 1.00 53.24 C ATOM 424 CG ARG A 28 5.142 -4.444 4.364 1.00 15.12 C ATOM 425 CD ARG A 28 6.386 -4.896 5.124 1.00 75.43 C ATOM 426 NE ARG A 28 6.797 -3.930 6.150 1.00 42.21 N ATOM 427 CZ ARG A 28 7.055 -4.237 7.393 1.00 71.24 C ATOM 428 NH1 ARG A 28 6.880 -5.441 7.825 1.00 73.14 N ATOM 429 NH2 ARG A 28 7.466 -3.320 8.208 1.00 52.12 N ATOM 0 H ARG A 28 4.312 -0.509 3.313 1.00 24.01 H new ATOM 0 HA ARG A 28 4.145 -3.173 2.008 1.00 33.43 H new ATOM 0 HB2 ARG A 28 6.227 -2.950 3.278 1.00 53.24 H new ATOM 0 HB3 ARG A 28 5.362 -2.335 4.673 1.00 53.24 H new ATOM 0 HG2 ARG A 28 4.275 -4.497 5.022 1.00 15.12 H new ATOM 0 HG3 ARG A 28 4.955 -5.126 3.535 1.00 15.12 H new ATOM 0 HD2 ARG A 28 6.191 -5.860 5.594 1.00 75.43 H new ATOM 0 HD3 ARG A 28 7.205 -5.044 4.420 1.00 75.43 H new ATOM 0 HE ARG A 28 6.887 -2.952 5.873 1.00 42.21 H new ATOM 0 HH11 ARG A 28 6.537 -6.165 7.193 1.00 73.14 H new ATOM 0 HH12 ARG A 28 7.085 -5.669 8.798 1.00 73.14 H new ATOM 0 HH21 ARG A 28 7.587 -2.362 7.879 1.00 52.12 H new ATOM 0 HH22 ARG A 28 7.669 -3.555 9.180 1.00 52.12 H new ATOM 443 N LEU A 29 1.884 -3.502 2.906 1.00 14.33 N ATOM 444 CA LEU A 29 0.582 -3.893 3.464 1.00 53.32 C ATOM 445 C LEU A 29 0.558 -5.399 3.776 1.00 75.22 C ATOM 446 O LEU A 29 1.508 -6.119 3.468 1.00 42.30 O ATOM 447 CB LEU A 29 -0.566 -3.547 2.495 1.00 52.21 C ATOM 448 CG LEU A 29 -0.730 -2.055 2.137 1.00 11.21 C ATOM 449 CD1 LEU A 29 0.348 -1.597 1.160 1.00 43.42 C ATOM 450 CD2 LEU A 29 -2.118 -1.788 1.564 1.00 65.32 C ATOM 0 H LEU A 29 2.035 -3.813 1.946 1.00 14.33 H new ATOM 0 HA LEU A 29 0.438 -3.333 4.388 1.00 53.32 H new ATOM 0 HB2 LEU A 29 -0.415 -4.106 1.572 1.00 52.21 H new ATOM 0 HB3 LEU A 29 -1.501 -3.899 2.932 1.00 52.21 H new ATOM 0 HG LEU A 29 -0.616 -1.479 3.056 1.00 11.21 H new ATOM 0 HD11 LEU A 29 0.204 -0.542 0.928 1.00 43.42 H new ATOM 0 HD12 LEU A 29 1.331 -1.739 1.610 1.00 43.42 H new ATOM 0 HD13 LEU A 29 0.280 -2.182 0.243 1.00 43.42 H new ATOM 0 HD21 LEU A 29 -2.213 -0.730 1.318 1.00 65.32 H new ATOM 0 HD22 LEU A 29 -2.260 -2.384 0.663 1.00 65.32 H new ATOM 0 HD23 LEU A 29 -2.874 -2.058 2.301 1.00 65.32 H new ATOM 462 N LYS A 30 -0.531 -5.874 4.373 1.00 33.42 N ATOM 463 CA LYS A 30 -0.647 -7.287 4.756 1.00 45.41 C ATOM 464 C LYS A 30 -2.109 -7.756 4.761 1.00 75.30 C ATOM 465 O LYS A 30 -3.005 -7.037 5.215 1.00 61.44 O ATOM 466 CB LYS A 30 -0.030 -7.498 6.144 1.00 61.13 C ATOM 467 CG LYS A 30 -0.057 -8.948 6.626 1.00 61.12 C ATOM 468 CD LYS A 30 0.510 -9.088 8.036 1.00 1.11 C ATOM 469 CE LYS A 30 1.948 -8.592 8.118 1.00 11.41 C ATOM 470 NZ LYS A 30 2.491 -8.654 9.500 1.00 64.34 N ATOM 0 H LYS A 30 -1.347 -5.307 4.604 1.00 33.42 H new ATOM 0 HA LYS A 30 -0.109 -7.880 4.016 1.00 45.41 H new ATOM 0 HB2 LYS A 30 1.003 -7.152 6.127 1.00 61.13 H new ATOM 0 HB3 LYS A 30 -0.562 -6.877 6.864 1.00 61.13 H new ATOM 0 HG2 LYS A 30 -1.082 -9.318 6.608 1.00 61.12 H new ATOM 0 HG3 LYS A 30 0.518 -9.570 5.940 1.00 61.12 H new ATOM 0 HD2 LYS A 30 -0.109 -8.525 8.735 1.00 1.11 H new ATOM 0 HD3 LYS A 30 0.468 -10.133 8.343 1.00 1.11 H new ATOM 0 HE2 LYS A 30 2.574 -9.191 7.457 1.00 11.41 H new ATOM 0 HE3 LYS A 30 1.996 -7.564 7.757 1.00 11.41 H new ATOM 0 HZ1 LYS A 30 3.266 -7.967 9.600 1.00 64.34 H new ATOM 0 HZ2 LYS A 30 1.737 -8.427 10.180 1.00 64.34 H new ATOM 0 HZ3 LYS A 30 2.850 -9.611 9.689 1.00 64.34 H new ATOM 484 N ASN A 31 -2.349 -8.967 4.257 1.00 33.01 N ATOM 485 CA ASN A 31 -3.691 -9.555 4.281 1.00 44.52 C ATOM 486 C ASN A 31 -4.046 -10.048 5.692 1.00 21.24 C ATOM 487 O ASN A 31 -3.841 -11.216 6.033 1.00 41.13 O ATOM 488 CB ASN A 31 -3.809 -10.703 3.265 1.00 63.31 C ATOM 489 CG ASN A 31 -5.184 -11.353 3.282 1.00 23.40 C ATOM 490 OD1 ASN A 31 -6.184 -10.719 3.594 1.00 33.04 O ATOM 491 ND2 ASN A 31 -5.247 -12.626 2.950 1.00 41.44 N ATOM 0 H ASN A 31 -1.636 -9.558 3.829 1.00 33.01 H new ATOM 0 HA ASN A 31 -4.401 -8.777 3.999 1.00 44.52 H new ATOM 0 HB2 ASN A 31 -3.602 -10.322 2.265 1.00 63.31 H new ATOM 0 HB3 ASN A 31 -3.051 -11.456 3.482 1.00 63.31 H new ATOM 0 HD21 ASN A 31 -6.146 -13.109 2.948 1.00 41.44 H new ATOM 0 HD22 ASN A 31 -4.397 -13.129 2.694 1.00 41.44 H new ATOM 498 N THR A 32 -4.543 -9.133 6.522 1.00 23.43 N ATOM 499 CA THR A 32 -4.988 -9.474 7.875 1.00 44.34 C ATOM 500 C THR A 32 -6.370 -10.144 7.850 1.00 50.02 C ATOM 501 O THR A 32 -7.401 -9.473 7.918 1.00 15.22 O ATOM 502 CB THR A 32 -5.030 -8.223 8.791 1.00 15.05 C ATOM 503 OG1 THR A 32 -5.816 -7.183 8.181 1.00 50.22 O ATOM 504 CG2 THR A 32 -3.619 -7.706 9.067 1.00 61.44 C ATOM 0 H THR A 32 -4.648 -8.147 6.282 1.00 23.43 H new ATOM 0 HA THR A 32 -4.262 -10.177 8.283 1.00 44.34 H new ATOM 0 HB THR A 32 -5.489 -8.512 9.737 1.00 15.05 H new ATOM 0 HG1 THR A 32 -6.614 -7.575 7.769 1.00 50.22 H new ATOM 0 HG21 THR A 32 -3.673 -6.828 9.711 1.00 61.44 H new ATOM 0 HG22 THR A 32 -3.037 -8.484 9.561 1.00 61.44 H new ATOM 0 HG23 THR A 32 -3.140 -7.436 8.126 1.00 61.44 H new ATOM 512 N SER A 33 -6.381 -11.468 7.722 1.00 61.32 N ATOM 513 CA SER A 33 -7.631 -12.238 7.655 1.00 60.30 C ATOM 514 C SER A 33 -7.399 -13.705 8.039 1.00 30.34 C ATOM 515 O SER A 33 -6.292 -14.089 8.427 1.00 64.42 O ATOM 516 CB SER A 33 -8.226 -12.165 6.241 1.00 71.43 C ATOM 517 OG SER A 33 -7.353 -12.748 5.288 1.00 62.44 O ATOM 0 H SER A 33 -5.537 -12.037 7.662 1.00 61.32 H new ATOM 0 HA SER A 33 -8.331 -11.800 8.367 1.00 60.30 H new ATOM 0 HB2 SER A 33 -9.187 -12.679 6.221 1.00 71.43 H new ATOM 0 HB3 SER A 33 -8.416 -11.125 5.976 1.00 71.43 H new ATOM 0 HG SER A 33 -7.793 -13.516 4.868 1.00 62.44 H new ATOM 523 N GLU A 34 -8.446 -14.523 7.931 1.00 62.32 N ATOM 524 CA GLU A 34 -8.367 -15.944 8.294 1.00 42.34 C ATOM 525 C GLU A 34 -8.179 -16.853 7.064 1.00 34.33 C ATOM 526 O GLU A 34 -8.004 -18.066 7.202 1.00 0.03 O ATOM 527 CB GLU A 34 -9.633 -16.354 9.062 1.00 14.30 C ATOM 528 CG GLU A 34 -9.826 -15.593 10.372 1.00 24.24 C ATOM 529 CD GLU A 34 -11.104 -15.980 11.099 1.00 32.42 C ATOM 530 OE1 GLU A 34 -11.091 -16.970 11.861 1.00 41.21 O ATOM 531 OE2 GLU A 34 -12.133 -15.296 10.917 1.00 40.14 O ATOM 0 H GLU A 34 -9.363 -14.228 7.594 1.00 62.32 H new ATOM 0 HA GLU A 34 -7.489 -16.073 8.927 1.00 42.34 H new ATOM 0 HB2 GLU A 34 -10.503 -16.191 8.425 1.00 14.30 H new ATOM 0 HB3 GLU A 34 -9.589 -17.422 9.275 1.00 14.30 H new ATOM 0 HG2 GLU A 34 -8.973 -15.780 11.024 1.00 24.24 H new ATOM 0 HG3 GLU A 34 -9.841 -14.523 10.166 1.00 24.24 H new ATOM 538 N GLN A 35 -8.207 -16.269 5.863 1.00 63.43 N ATOM 539 CA GLN A 35 -8.055 -17.049 4.625 1.00 55.04 C ATOM 540 C GLN A 35 -7.543 -16.169 3.468 1.00 65.31 C ATOM 541 O GLN A 35 -7.534 -14.942 3.566 1.00 41.21 O ATOM 542 CB GLN A 35 -9.395 -17.709 4.248 1.00 4.42 C ATOM 543 CG GLN A 35 -9.265 -18.844 3.233 1.00 64.01 C ATOM 544 CD GLN A 35 -10.590 -19.523 2.929 1.00 62.34 C ATOM 545 OE1 GLN A 35 -11.490 -19.565 3.761 1.00 34.33 O ATOM 546 NE2 GLN A 35 -10.716 -20.068 1.738 1.00 13.34 N ATOM 0 H GLN A 35 -8.332 -15.267 5.718 1.00 63.43 H new ATOM 0 HA GLN A 35 -7.313 -17.828 4.803 1.00 55.04 H new ATOM 0 HB2 GLN A 35 -9.865 -18.096 5.152 1.00 4.42 H new ATOM 0 HB3 GLN A 35 -10.062 -16.948 3.843 1.00 4.42 H new ATOM 0 HG2 GLN A 35 -8.844 -18.450 2.308 1.00 64.01 H new ATOM 0 HG3 GLN A 35 -8.562 -19.585 3.613 1.00 64.01 H new ATOM 0 HE21 GLN A 35 -9.948 -20.015 1.069 1.00 13.34 H new ATOM 0 HE22 GLN A 35 -11.582 -20.543 1.484 1.00 13.34 H new ATOM 555 N ASP A 36 -7.106 -16.803 2.378 1.00 3.45 N ATOM 556 CA ASP A 36 -6.572 -16.080 1.214 1.00 73.53 C ATOM 557 C ASP A 36 -7.570 -15.033 0.684 1.00 32.41 C ATOM 558 O ASP A 36 -8.664 -15.384 0.230 1.00 24.31 O ATOM 559 CB ASP A 36 -6.228 -17.061 0.086 1.00 50.12 C ATOM 560 CG ASP A 36 -5.334 -18.210 0.525 1.00 62.24 C ATOM 561 OD1 ASP A 36 -4.629 -18.083 1.545 1.00 70.21 O ATOM 562 OD2 ASP A 36 -5.335 -19.251 -0.167 1.00 51.15 O ATOM 0 H ASP A 36 -7.110 -17.818 2.274 1.00 3.45 H new ATOM 0 HA ASP A 36 -5.671 -15.563 1.544 1.00 73.53 H new ATOM 0 HB2 ASP A 36 -7.152 -17.468 -0.324 1.00 50.12 H new ATOM 0 HB3 ASP A 36 -5.735 -16.516 -0.719 1.00 50.12 H new ATOM 567 N GLN A 37 -7.183 -13.759 0.735 1.00 13.32 N ATOM 568 CA GLN A 37 -8.021 -12.656 0.243 1.00 62.10 C ATOM 569 C GLN A 37 -7.241 -11.774 -0.747 1.00 4.02 C ATOM 570 O GLN A 37 -6.279 -11.104 -0.366 1.00 72.44 O ATOM 571 CB GLN A 37 -8.527 -11.792 1.414 1.00 64.53 C ATOM 572 CG GLN A 37 -9.527 -12.488 2.334 1.00 2.23 C ATOM 573 CD GLN A 37 -10.835 -12.834 1.637 1.00 71.33 C ATOM 574 OE1 GLN A 37 -11.762 -12.033 1.592 1.00 34.34 O ATOM 575 NE2 GLN A 37 -10.921 -14.031 1.093 1.00 22.31 N ATOM 0 H GLN A 37 -6.285 -13.459 1.116 1.00 13.32 H new ATOM 0 HA GLN A 37 -8.876 -13.094 -0.272 1.00 62.10 H new ATOM 0 HB2 GLN A 37 -7.671 -11.471 2.007 1.00 64.53 H new ATOM 0 HB3 GLN A 37 -8.991 -10.892 1.010 1.00 64.53 H new ATOM 0 HG2 GLN A 37 -9.078 -13.401 2.726 1.00 2.23 H new ATOM 0 HG3 GLN A 37 -9.736 -11.844 3.188 1.00 2.23 H new ATOM 0 HE21 GLN A 37 -10.131 -14.674 1.148 1.00 22.31 H new ATOM 0 HE22 GLN A 37 -11.777 -14.314 0.617 1.00 22.31 H new ATOM 584 N PRO A 38 -7.630 -11.768 -2.037 1.00 53.41 N ATOM 585 CA PRO A 38 -6.967 -10.934 -3.054 1.00 13.33 C ATOM 586 C PRO A 38 -7.257 -9.429 -2.879 1.00 10.40 C ATOM 587 O PRO A 38 -8.390 -9.031 -2.614 1.00 51.25 O ATOM 588 CB PRO A 38 -7.555 -11.454 -4.372 1.00 32.33 C ATOM 589 CG PRO A 38 -8.891 -12.005 -4.000 1.00 51.24 C ATOM 590 CD PRO A 38 -8.736 -12.565 -2.607 1.00 62.45 C ATOM 0 HA PRO A 38 -5.881 -11.009 -2.995 1.00 13.33 H new ATOM 0 HB2 PRO A 38 -7.647 -10.654 -5.107 1.00 32.33 H new ATOM 0 HB3 PRO A 38 -6.919 -12.221 -4.814 1.00 32.33 H new ATOM 0 HG2 PRO A 38 -9.655 -11.228 -4.025 1.00 51.24 H new ATOM 0 HG3 PRO A 38 -9.202 -12.780 -4.700 1.00 51.24 H new ATOM 0 HD2 PRO A 38 -9.651 -12.455 -2.026 1.00 62.45 H new ATOM 0 HD3 PRO A 38 -8.497 -13.628 -2.626 1.00 62.45 H new ATOM 598 N MET A 39 -6.218 -8.602 -3.024 1.00 60.34 N ATOM 599 CA MET A 39 -6.359 -7.144 -2.910 1.00 52.10 C ATOM 600 C MET A 39 -7.225 -6.586 -4.065 1.00 44.30 C ATOM 601 O MET A 39 -8.436 -6.422 -3.921 1.00 22.21 O ATOM 602 CB MET A 39 -4.967 -6.490 -2.905 1.00 52.12 C ATOM 603 CG MET A 39 -4.945 -5.056 -2.394 1.00 44.53 C ATOM 604 SD MET A 39 -5.386 -4.945 -0.651 1.00 2.41 S ATOM 605 CE MET A 39 -5.003 -3.230 -0.297 1.00 75.34 C ATOM 0 H MET A 39 -5.268 -8.916 -3.221 1.00 60.34 H new ATOM 0 HA MET A 39 -6.863 -6.908 -1.973 1.00 52.10 H new ATOM 0 HB2 MET A 39 -4.299 -7.092 -2.289 1.00 52.12 H new ATOM 0 HB3 MET A 39 -4.568 -6.507 -3.919 1.00 52.12 H new ATOM 0 HG2 MET A 39 -3.951 -4.635 -2.543 1.00 44.53 H new ATOM 0 HG3 MET A 39 -5.638 -4.453 -2.981 1.00 44.53 H new ATOM 0 HE1 MET A 39 -5.372 -2.972 0.696 1.00 75.34 H new ATOM 0 HE2 MET A 39 -3.923 -3.084 -0.332 1.00 75.34 H new ATOM 0 HE3 MET A 39 -5.480 -2.590 -1.039 1.00 75.34 H new ATOM 615 N GLY A 40 -6.593 -6.308 -5.209 1.00 61.23 N ATOM 616 CA GLY A 40 -7.323 -5.924 -6.418 1.00 22.41 C ATOM 617 C GLY A 40 -8.177 -4.655 -6.295 1.00 12.14 C ATOM 618 O GLY A 40 -7.738 -3.565 -6.667 1.00 13.14 O ATOM 0 H GLY A 40 -5.580 -6.342 -5.322 1.00 61.23 H new ATOM 0 HA2 GLY A 40 -6.605 -5.782 -7.226 1.00 22.41 H new ATOM 0 HA3 GLY A 40 -7.971 -6.751 -6.709 1.00 22.41 H new ATOM 622 N GLY A 41 -9.391 -4.797 -5.762 1.00 12.54 N ATOM 623 CA GLY A 41 -10.373 -3.709 -5.787 1.00 64.23 C ATOM 624 C GLY A 41 -10.174 -2.648 -4.707 1.00 5.41 C ATOM 625 O GLY A 41 -11.133 -2.223 -4.057 1.00 0.00 O ATOM 0 H GLY A 41 -9.718 -5.650 -5.309 1.00 12.54 H new ATOM 0 HA2 GLY A 41 -10.336 -3.226 -6.763 1.00 64.23 H new ATOM 0 HA3 GLY A 41 -11.371 -4.135 -5.680 1.00 64.23 H new ATOM 629 N TRP A 42 -8.936 -2.198 -4.529 1.00 4.52 N ATOM 630 CA TRP A 42 -8.618 -1.154 -3.550 1.00 10.41 C ATOM 631 C TRP A 42 -7.994 0.071 -4.231 1.00 31.31 C ATOM 632 O TRP A 42 -7.282 -0.053 -5.230 1.00 53.00 O ATOM 633 CB TRP A 42 -7.659 -1.694 -2.482 1.00 2.02 C ATOM 634 CG TRP A 42 -8.261 -2.737 -1.586 1.00 11.32 C ATOM 635 CD1 TRP A 42 -8.610 -4.010 -1.927 1.00 51.34 C ATOM 636 CD2 TRP A 42 -8.566 -2.596 -0.195 1.00 23.04 C ATOM 637 NE1 TRP A 42 -9.114 -4.669 -0.836 1.00 30.13 N ATOM 638 CE2 TRP A 42 -9.098 -3.823 0.240 1.00 53.10 C ATOM 639 CE3 TRP A 42 -8.439 -1.548 0.726 1.00 4.44 C ATOM 640 CZ2 TRP A 42 -9.505 -4.033 1.554 1.00 73.13 C ATOM 641 CZ3 TRP A 42 -8.842 -1.758 2.030 1.00 54.21 C ATOM 642 CH2 TRP A 42 -9.370 -2.992 2.435 1.00 52.23 C ATOM 0 H TRP A 42 -8.129 -2.540 -5.051 1.00 4.52 H new ATOM 0 HA TRP A 42 -9.551 -0.850 -3.075 1.00 10.41 H new ATOM 0 HB2 TRP A 42 -6.784 -2.116 -2.976 1.00 2.02 H new ATOM 0 HB3 TRP A 42 -7.310 -0.863 -1.870 1.00 2.02 H new ATOM 0 HD1 TRP A 42 -8.505 -4.437 -2.913 1.00 51.34 H new ATOM 0 HE1 TRP A 42 -9.447 -5.633 -0.827 1.00 30.13 H new ATOM 0 HE3 TRP A 42 -8.034 -0.594 0.422 1.00 4.44 H new ATOM 0 HZ2 TRP A 42 -9.913 -4.982 1.868 1.00 73.13 H new ATOM 0 HZ3 TRP A 42 -8.749 -0.958 2.750 1.00 54.21 H new ATOM 0 HH2 TRP A 42 -9.677 -3.125 3.462 1.00 52.23 H new ATOM 653 N GLU A 43 -8.269 1.249 -3.679 1.00 65.34 N ATOM 654 CA GLU A 43 -7.714 2.505 -4.186 1.00 33.04 C ATOM 655 C GLU A 43 -6.754 3.131 -3.159 1.00 61.13 C ATOM 656 O GLU A 43 -7.174 3.596 -2.099 1.00 52.41 O ATOM 657 CB GLU A 43 -8.853 3.485 -4.518 1.00 30.50 C ATOM 658 CG GLU A 43 -8.377 4.820 -5.085 1.00 63.34 C ATOM 659 CD GLU A 43 -9.525 5.756 -5.430 1.00 34.32 C ATOM 660 OE1 GLU A 43 -10.027 5.697 -6.574 1.00 62.11 O ATOM 661 OE2 GLU A 43 -9.921 6.566 -4.567 1.00 64.33 O ATOM 0 H GLU A 43 -8.880 1.362 -2.870 1.00 65.34 H new ATOM 0 HA GLU A 43 -7.150 2.294 -5.094 1.00 33.04 H new ATOM 0 HB2 GLU A 43 -9.525 3.015 -5.237 1.00 30.50 H new ATOM 0 HB3 GLU A 43 -9.433 3.672 -3.614 1.00 30.50 H new ATOM 0 HG2 GLU A 43 -7.724 5.305 -4.360 1.00 63.34 H new ATOM 0 HG3 GLU A 43 -7.781 4.638 -5.979 1.00 63.34 H new ATOM 668 N MET A 44 -5.463 3.116 -3.476 1.00 24.45 N ATOM 669 CA MET A 44 -4.431 3.673 -2.599 1.00 51.44 C ATOM 670 C MET A 44 -4.149 5.149 -2.919 1.00 54.10 C ATOM 671 O MET A 44 -3.689 5.479 -4.011 1.00 54.24 O ATOM 672 CB MET A 44 -3.134 2.865 -2.746 1.00 1.44 C ATOM 673 CG MET A 44 -1.974 3.408 -1.919 1.00 73.22 C ATOM 674 SD MET A 44 -0.433 2.511 -2.192 1.00 34.21 S ATOM 675 CE MET A 44 -0.172 2.787 -3.945 1.00 21.43 C ATOM 0 H MET A 44 -5.101 2.720 -4.343 1.00 24.45 H new ATOM 0 HA MET A 44 -4.798 3.612 -1.575 1.00 51.44 H new ATOM 0 HB2 MET A 44 -3.325 1.833 -2.453 1.00 1.44 H new ATOM 0 HB3 MET A 44 -2.843 2.850 -3.796 1.00 1.44 H new ATOM 0 HG2 MET A 44 -1.823 4.460 -2.161 1.00 73.22 H new ATOM 0 HG3 MET A 44 -2.234 3.359 -0.862 1.00 73.22 H new ATOM 0 HE1 MET A 44 0.874 3.037 -4.122 1.00 21.43 H new ATOM 0 HE2 MET A 44 -0.428 1.883 -4.498 1.00 21.43 H new ATOM 0 HE3 MET A 44 -0.804 3.609 -4.282 1.00 21.43 H new ATOM 685 N ILE A 45 -4.430 6.032 -1.964 1.00 64.30 N ATOM 686 CA ILE A 45 -4.078 7.452 -2.092 1.00 41.55 C ATOM 687 C ILE A 45 -2.886 7.777 -1.180 1.00 34.50 C ATOM 688 O ILE A 45 -3.040 7.885 0.037 1.00 12.13 O ATOM 689 CB ILE A 45 -5.259 8.398 -1.725 1.00 50.20 C ATOM 690 CG1 ILE A 45 -6.533 8.067 -2.530 1.00 13.01 C ATOM 691 CG2 ILE A 45 -4.860 9.858 -1.945 1.00 34.03 C ATOM 692 CD1 ILE A 45 -7.282 6.842 -2.042 1.00 73.12 C ATOM 0 H ILE A 45 -4.901 5.793 -1.091 1.00 64.30 H new ATOM 0 HA ILE A 45 -3.825 7.621 -3.139 1.00 41.55 H new ATOM 0 HB ILE A 45 -5.486 8.243 -0.670 1.00 50.20 H new ATOM 0 HG12 ILE A 45 -7.204 8.926 -2.495 1.00 13.01 H new ATOM 0 HG13 ILE A 45 -6.260 7.918 -3.575 1.00 13.01 H new ATOM 0 HG21 ILE A 45 -5.696 10.507 -1.684 1.00 34.03 H new ATOM 0 HG22 ILE A 45 -4.003 10.100 -1.316 1.00 34.03 H new ATOM 0 HG23 ILE A 45 -4.596 10.009 -2.992 1.00 34.03 H new ATOM 0 HD11 ILE A 45 -8.163 6.683 -2.664 1.00 73.12 H new ATOM 0 HD12 ILE A 45 -6.632 5.969 -2.104 1.00 73.12 H new ATOM 0 HD13 ILE A 45 -7.590 6.992 -1.007 1.00 73.12 H new ATOM 704 N ARG A 46 -1.694 7.915 -1.756 1.00 41.55 N ATOM 705 CA ARG A 46 -0.493 8.156 -0.948 1.00 73.13 C ATOM 706 C ARG A 46 -0.251 9.657 -0.727 1.00 30.21 C ATOM 707 O ARG A 46 0.027 10.401 -1.671 1.00 51.41 O ATOM 708 CB ARG A 46 0.751 7.529 -1.594 1.00 23.23 C ATOM 709 CG ARG A 46 1.945 7.469 -0.642 1.00 11.42 C ATOM 710 CD ARG A 46 3.258 7.161 -1.358 1.00 1.44 C ATOM 711 NE ARG A 46 3.673 8.243 -2.253 1.00 12.11 N ATOM 712 CZ ARG A 46 4.010 9.447 -1.859 1.00 52.43 C ATOM 713 NH1 ARG A 46 3.946 9.782 -0.610 1.00 4.22 N ATOM 714 NH2 ARG A 46 4.409 10.312 -2.729 1.00 60.22 N ATOM 0 H ARG A 46 -1.531 7.866 -2.762 1.00 41.55 H new ATOM 0 HA ARG A 46 -0.667 7.684 0.019 1.00 73.13 H new ATOM 0 HB2 ARG A 46 0.510 6.521 -1.932 1.00 23.23 H new ATOM 0 HB3 ARG A 46 1.025 8.105 -2.478 1.00 23.23 H new ATOM 0 HG2 ARG A 46 2.036 8.422 -0.120 1.00 11.42 H new ATOM 0 HG3 ARG A 46 1.762 6.707 0.115 1.00 11.42 H new ATOM 0 HD2 ARG A 46 4.039 6.985 -0.619 1.00 1.44 H new ATOM 0 HD3 ARG A 46 3.149 6.241 -1.931 1.00 1.44 H new ATOM 0 HE ARG A 46 3.702 8.046 -3.253 1.00 12.11 H new ATOM 0 HH11 ARG A 46 3.630 9.105 0.084 1.00 4.22 H new ATOM 0 HH12 ARG A 46 4.212 10.723 -0.320 1.00 4.22 H new ATOM 0 HH21 ARG A 46 4.460 10.057 -3.715 1.00 60.22 H new ATOM 0 HH22 ARG A 46 4.673 11.251 -2.431 1.00 60.22 H new ATOM 728 N LYS A 47 -0.363 10.089 0.524 1.00 64.12 N ATOM 729 CA LYS A 47 -0.051 11.470 0.903 1.00 30.25 C ATOM 730 C LYS A 47 1.404 11.603 1.380 1.00 74.32 C ATOM 731 O LYS A 47 2.094 10.602 1.615 1.00 32.11 O ATOM 732 CB LYS A 47 -0.983 11.952 2.023 1.00 72.11 C ATOM 733 CG LYS A 47 -2.466 11.959 1.659 1.00 51.34 C ATOM 734 CD LYS A 47 -3.302 12.570 2.781 1.00 35.22 C ATOM 735 CE LYS A 47 -4.787 12.630 2.439 1.00 52.30 C ATOM 736 NZ LYS A 47 -5.553 13.370 3.477 1.00 42.21 N ATOM 0 H LYS A 47 -0.669 9.502 1.300 1.00 64.12 H new ATOM 0 HA LYS A 47 -0.195 12.085 0.015 1.00 30.25 H new ATOM 0 HB2 LYS A 47 -0.840 11.315 2.896 1.00 72.11 H new ATOM 0 HB3 LYS A 47 -0.689 12.961 2.313 1.00 72.11 H new ATOM 0 HG2 LYS A 47 -2.616 12.525 0.740 1.00 51.34 H new ATOM 0 HG3 LYS A 47 -2.801 10.940 1.464 1.00 51.34 H new ATOM 0 HD2 LYS A 47 -3.166 11.985 3.691 1.00 35.22 H new ATOM 0 HD3 LYS A 47 -2.940 13.576 2.992 1.00 35.22 H new ATOM 0 HE2 LYS A 47 -4.920 13.115 1.472 1.00 52.30 H new ATOM 0 HE3 LYS A 47 -5.182 11.618 2.345 1.00 52.30 H new ATOM 0 HZ1 LYS A 47 -6.559 13.393 3.215 1.00 42.21 H new ATOM 0 HZ2 LYS A 47 -5.445 12.893 4.395 1.00 42.21 H new ATOM 0 HZ3 LYS A 47 -5.191 14.342 3.548 1.00 42.21 H new ATOM 750 N ILE A 48 1.856 12.846 1.524 1.00 43.01 N ATOM 751 CA ILE A 48 3.180 13.150 2.075 1.00 62.21 C ATOM 752 C ILE A 48 3.331 14.655 2.359 1.00 54.30 C ATOM 753 O ILE A 48 3.521 15.066 3.503 1.00 42.24 O ATOM 754 CB ILE A 48 4.335 12.658 1.149 1.00 60.54 C ATOM 755 CG1 ILE A 48 5.706 13.059 1.732 1.00 44.11 C ATOM 756 CG2 ILE A 48 4.173 13.179 -0.281 1.00 70.23 C ATOM 757 CD1 ILE A 48 6.893 12.559 0.931 1.00 33.25 C ATOM 0 H ILE A 48 1.318 13.672 1.263 1.00 43.01 H new ATOM 0 HA ILE A 48 3.257 12.605 3.016 1.00 62.21 H new ATOM 0 HB ILE A 48 4.285 11.570 1.105 1.00 60.54 H new ATOM 0 HG12 ILE A 48 5.757 14.146 1.796 1.00 44.11 H new ATOM 0 HG13 ILE A 48 5.781 12.676 2.750 1.00 44.11 H new ATOM 0 HG21 ILE A 48 4.996 12.815 -0.896 1.00 70.23 H new ATOM 0 HG22 ILE A 48 3.228 12.824 -0.693 1.00 70.23 H new ATOM 0 HG23 ILE A 48 4.179 14.269 -0.274 1.00 70.23 H new ATOM 0 HD11 ILE A 48 7.817 12.884 1.409 1.00 33.25 H new ATOM 0 HD12 ILE A 48 6.870 11.470 0.888 1.00 33.25 H new ATOM 0 HD13 ILE A 48 6.846 12.963 -0.080 1.00 33.25 H new ATOM 769 N GLY A 49 3.206 15.475 1.320 1.00 2.12 N ATOM 770 CA GLY A 49 3.393 16.910 1.465 1.00 70.50 C ATOM 771 C GLY A 49 2.745 17.701 0.337 1.00 61.41 C ATOM 772 O GLY A 49 3.150 17.581 -0.823 1.00 22.33 O ATOM 0 H GLY A 49 2.977 15.170 0.374 1.00 2.12 H new ATOM 0 HA2 GLY A 49 2.974 17.233 2.418 1.00 70.50 H new ATOM 0 HA3 GLY A 49 4.460 17.133 1.494 1.00 70.50 H new ATOM 776 N ASP A 50 1.733 18.498 0.683 1.00 32.53 N ATOM 777 CA ASP A 50 1.007 19.341 -0.278 1.00 75.13 C ATOM 778 C ASP A 50 0.189 18.500 -1.283 1.00 4.44 C ATOM 779 O ASP A 50 -1.033 18.385 -1.161 1.00 74.50 O ATOM 780 CB ASP A 50 1.979 20.279 -1.013 1.00 3.33 C ATOM 781 CG ASP A 50 1.261 21.362 -1.798 1.00 34.45 C ATOM 782 OD1 ASP A 50 0.850 22.369 -1.182 1.00 10.53 O ATOM 783 OD2 ASP A 50 1.096 21.206 -3.024 1.00 63.12 O ATOM 0 H ASP A 50 1.390 18.580 1.640 1.00 32.53 H new ATOM 0 HA ASP A 50 0.297 19.945 0.287 1.00 75.13 H new ATOM 0 HB2 ASP A 50 2.648 20.743 -0.289 1.00 3.33 H new ATOM 0 HB3 ASP A 50 2.600 19.694 -1.692 1.00 3.33 H new ATOM 788 N THR A 51 0.868 17.895 -2.258 1.00 21.42 N ATOM 789 CA THR A 51 0.191 17.117 -3.312 1.00 30.32 C ATOM 790 C THR A 51 0.113 15.619 -2.968 1.00 42.35 C ATOM 791 O THR A 51 0.962 15.083 -2.252 1.00 43.22 O ATOM 792 CB THR A 51 0.894 17.280 -4.683 1.00 2.43 C ATOM 793 OG1 THR A 51 0.201 16.529 -5.694 1.00 12.23 O ATOM 794 CG2 THR A 51 2.349 16.826 -4.617 1.00 63.24 C ATOM 0 H THR A 51 1.884 17.925 -2.345 1.00 21.42 H new ATOM 0 HA THR A 51 -0.821 17.517 -3.375 1.00 30.32 H new ATOM 0 HB THR A 51 0.874 18.339 -4.940 1.00 2.43 H new ATOM 0 HG1 THR A 51 0.655 16.643 -6.555 1.00 12.23 H new ATOM 0 HG21 THR A 51 2.814 16.953 -5.594 1.00 63.24 H new ATOM 0 HG22 THR A 51 2.884 17.425 -3.880 1.00 63.24 H new ATOM 0 HG23 THR A 51 2.390 15.775 -4.329 1.00 63.24 H new ATOM 802 N SER A 52 -0.926 14.951 -3.474 1.00 3.43 N ATOM 803 CA SER A 52 -1.115 13.502 -3.265 1.00 44.22 C ATOM 804 C SER A 52 -1.674 12.821 -4.524 1.00 72.10 C ATOM 805 O SER A 52 -2.416 13.428 -5.299 1.00 51.51 O ATOM 806 CB SER A 52 -2.058 13.250 -2.079 1.00 64.43 C ATOM 807 OG SER A 52 -3.307 13.903 -2.265 1.00 45.23 O ATOM 0 H SER A 52 -1.657 15.388 -4.036 1.00 3.43 H new ATOM 0 HA SER A 52 -0.138 13.071 -3.048 1.00 44.22 H new ATOM 0 HB2 SER A 52 -2.219 12.178 -1.961 1.00 64.43 H new ATOM 0 HB3 SER A 52 -1.593 13.605 -1.160 1.00 64.43 H new ATOM 0 HG SER A 52 -3.888 13.724 -1.496 1.00 45.23 H new ATOM 813 N VAL A 53 -1.326 11.549 -4.719 1.00 12.23 N ATOM 814 CA VAL A 53 -1.731 10.806 -5.925 1.00 42.51 C ATOM 815 C VAL A 53 -2.331 9.430 -5.571 1.00 2.04 C ATOM 816 O VAL A 53 -1.932 8.800 -4.587 1.00 21.44 O ATOM 817 CB VAL A 53 -0.525 10.638 -6.889 1.00 4.35 C ATOM 818 CG1 VAL A 53 0.661 10.001 -6.170 1.00 54.24 C ATOM 819 CG2 VAL A 53 -0.910 9.829 -8.127 1.00 74.01 C ATOM 0 H VAL A 53 -0.765 11.007 -4.061 1.00 12.23 H new ATOM 0 HA VAL A 53 -2.506 11.386 -6.425 1.00 42.51 H new ATOM 0 HB VAL A 53 -0.227 11.632 -7.223 1.00 4.35 H new ATOM 0 HG11 VAL A 53 1.493 9.894 -6.866 1.00 54.24 H new ATOM 0 HG12 VAL A 53 0.964 10.635 -5.336 1.00 54.24 H new ATOM 0 HG13 VAL A 53 0.374 9.019 -5.794 1.00 54.24 H new ATOM 0 HG21 VAL A 53 -0.044 9.730 -8.781 1.00 74.01 H new ATOM 0 HG22 VAL A 53 -1.251 8.839 -7.823 1.00 74.01 H new ATOM 0 HG23 VAL A 53 -1.711 10.340 -8.661 1.00 74.01 H new ATOM 829 N SER A 54 -3.306 8.974 -6.369 1.00 11.04 N ATOM 830 CA SER A 54 -4.012 7.707 -6.097 1.00 3.23 C ATOM 831 C SER A 54 -3.702 6.615 -7.138 1.00 61.10 C ATOM 832 O SER A 54 -3.187 6.896 -8.224 1.00 21.12 O ATOM 833 CB SER A 54 -5.529 7.946 -6.043 1.00 3.23 C ATOM 834 OG SER A 54 -6.028 8.412 -7.290 1.00 41.54 O ATOM 0 H SER A 54 -3.626 9.460 -7.207 1.00 11.04 H new ATOM 0 HA SER A 54 -3.652 7.350 -5.132 1.00 3.23 H new ATOM 0 HB2 SER A 54 -6.035 7.020 -5.771 1.00 3.23 H new ATOM 0 HB3 SER A 54 -5.756 8.674 -5.264 1.00 3.23 H new ATOM 0 HG SER A 54 -6.996 8.553 -7.223 1.00 41.54 H new ATOM 840 N TYR A 55 -4.035 5.367 -6.795 1.00 42.54 N ATOM 841 CA TYR A 55 -3.758 4.201 -7.653 1.00 72.51 C ATOM 842 C TYR A 55 -4.626 2.992 -7.260 1.00 61.31 C ATOM 843 O TYR A 55 -4.765 2.681 -6.081 1.00 43.24 O ATOM 844 CB TYR A 55 -2.268 3.833 -7.541 1.00 53.44 C ATOM 845 CG TYR A 55 -1.900 2.452 -8.072 1.00 12.01 C ATOM 846 CD1 TYR A 55 -1.815 2.204 -9.438 1.00 74.20 C ATOM 847 CD2 TYR A 55 -1.619 1.402 -7.197 1.00 50.01 C ATOM 848 CE1 TYR A 55 -1.463 0.953 -9.917 1.00 75.01 C ATOM 849 CE2 TYR A 55 -1.271 0.151 -7.669 1.00 70.40 C ATOM 850 CZ TYR A 55 -1.192 -0.070 -9.026 1.00 51.21 C ATOM 851 OH TYR A 55 -0.840 -1.318 -9.496 1.00 21.53 O ATOM 0 H TYR A 55 -4.502 5.132 -5.919 1.00 42.54 H new ATOM 0 HA TYR A 55 -4.003 4.465 -8.682 1.00 72.51 H new ATOM 0 HB2 TYR A 55 -1.684 4.579 -8.080 1.00 53.44 H new ATOM 0 HB3 TYR A 55 -1.973 3.893 -6.493 1.00 53.44 H new ATOM 0 HD1 TYR A 55 -2.027 3.000 -10.137 1.00 74.20 H new ATOM 0 HD2 TYR A 55 -1.675 1.570 -6.132 1.00 50.01 H new ATOM 0 HE1 TYR A 55 -1.400 0.777 -10.981 1.00 75.01 H new ATOM 0 HE2 TYR A 55 -1.062 -0.651 -6.976 1.00 70.40 H new ATOM 0 HH TYR A 55 -0.682 -1.920 -8.739 1.00 21.53 H new ATOM 861 N LYS A 56 -5.206 2.313 -8.251 1.00 64.50 N ATOM 862 CA LYS A 56 -5.956 1.073 -8.000 1.00 0.23 C ATOM 863 C LYS A 56 -5.038 -0.153 -8.127 1.00 41.53 C ATOM 864 O LYS A 56 -4.261 -0.258 -9.077 1.00 43.41 O ATOM 865 CB LYS A 56 -7.129 0.933 -8.981 1.00 50.53 C ATOM 866 CG LYS A 56 -7.973 -0.321 -8.742 1.00 23.13 C ATOM 867 CD LYS A 56 -9.053 -0.508 -9.808 1.00 75.00 C ATOM 868 CE LYS A 56 -8.463 -0.777 -11.191 1.00 21.25 C ATOM 869 NZ LYS A 56 -7.614 -2.002 -11.211 1.00 44.25 N ATOM 0 H LYS A 56 -5.174 2.595 -9.231 1.00 64.50 H new ATOM 0 HA LYS A 56 -6.347 1.125 -6.984 1.00 0.23 H new ATOM 0 HB2 LYS A 56 -7.767 1.813 -8.901 1.00 50.53 H new ATOM 0 HB3 LYS A 56 -6.741 0.913 -9.999 1.00 50.53 H new ATOM 0 HG2 LYS A 56 -7.323 -1.196 -8.729 1.00 23.13 H new ATOM 0 HG3 LYS A 56 -8.442 -0.258 -7.760 1.00 23.13 H new ATOM 0 HD2 LYS A 56 -9.701 -1.338 -9.524 1.00 75.00 H new ATOM 0 HD3 LYS A 56 -9.678 0.384 -9.849 1.00 75.00 H new ATOM 0 HE2 LYS A 56 -9.271 -0.885 -11.914 1.00 21.25 H new ATOM 0 HE3 LYS A 56 -7.868 0.081 -11.504 1.00 21.25 H new ATOM 0 HZ1 LYS A 56 -7.416 -2.271 -12.196 1.00 44.25 H new ATOM 0 HZ2 LYS A 56 -6.719 -1.812 -10.717 1.00 44.25 H new ATOM 0 HZ3 LYS A 56 -8.114 -2.779 -10.734 1.00 44.25 H new ATOM 883 N TYR A 57 -5.142 -1.085 -7.182 1.00 11.44 N ATOM 884 CA TYR A 57 -4.309 -2.300 -7.193 1.00 31.11 C ATOM 885 C TYR A 57 -4.660 -3.229 -8.371 1.00 42.43 C ATOM 886 O TYR A 57 -5.816 -3.311 -8.794 1.00 64.53 O ATOM 887 CB TYR A 57 -4.457 -3.061 -5.869 1.00 33.41 C ATOM 888 CG TYR A 57 -3.884 -2.325 -4.668 1.00 54.52 C ATOM 889 CD1 TYR A 57 -4.561 -1.254 -4.093 1.00 31.20 C ATOM 890 CD2 TYR A 57 -2.667 -2.706 -4.108 1.00 21.34 C ATOM 891 CE1 TYR A 57 -4.044 -0.586 -2.999 1.00 40.21 C ATOM 892 CE2 TYR A 57 -2.146 -2.042 -3.012 1.00 32.50 C ATOM 893 CZ TYR A 57 -2.838 -0.984 -2.462 1.00 22.12 C ATOM 894 OH TYR A 57 -2.323 -0.322 -1.371 1.00 11.03 O ATOM 0 H TYR A 57 -5.792 -1.028 -6.398 1.00 11.44 H new ATOM 0 HA TYR A 57 -3.274 -1.981 -7.316 1.00 31.11 H new ATOM 0 HB2 TYR A 57 -5.514 -3.259 -5.691 1.00 33.41 H new ATOM 0 HB3 TYR A 57 -3.963 -4.028 -5.960 1.00 33.41 H new ATOM 0 HD1 TYR A 57 -5.507 -0.939 -4.509 1.00 31.20 H new ATOM 0 HD2 TYR A 57 -2.121 -3.533 -4.537 1.00 21.34 H new ATOM 0 HE1 TYR A 57 -4.582 0.244 -2.567 1.00 40.21 H new ATOM 0 HE2 TYR A 57 -1.201 -2.351 -2.589 1.00 32.50 H new ATOM 0 HH TYR A 57 -1.795 0.446 -1.674 1.00 11.03 H new ATOM 904 N THR A 58 -3.652 -3.929 -8.893 1.00 63.11 N ATOM 905 CA THR A 58 -3.849 -4.864 -10.014 1.00 3.14 C ATOM 906 C THR A 58 -4.390 -6.227 -9.547 1.00 61.12 C ATOM 907 O THR A 58 -3.822 -6.875 -8.664 1.00 1.22 O ATOM 908 CB THR A 58 -2.536 -5.085 -10.817 1.00 44.30 C ATOM 909 OG1 THR A 58 -2.717 -6.121 -11.798 1.00 11.15 O ATOM 910 CG2 THR A 58 -1.370 -5.452 -9.900 1.00 4.14 C ATOM 0 H THR A 58 -2.689 -3.870 -8.561 1.00 63.11 H new ATOM 0 HA THR A 58 -4.591 -4.399 -10.663 1.00 3.14 H new ATOM 0 HB THR A 58 -2.298 -4.145 -11.316 1.00 44.30 H new ATOM 0 HG1 THR A 58 -2.557 -5.756 -12.693 1.00 11.15 H new ATOM 0 HG21 THR A 58 -0.470 -5.599 -10.497 1.00 4.14 H new ATOM 0 HG22 THR A 58 -1.203 -4.648 -9.184 1.00 4.14 H new ATOM 0 HG23 THR A 58 -1.604 -6.372 -9.364 1.00 4.14 H new ATOM 918 N SER A 59 -5.501 -6.656 -10.147 1.00 2.20 N ATOM 919 CA SER A 59 -6.104 -7.960 -9.831 1.00 23.12 C ATOM 920 C SER A 59 -5.458 -9.079 -10.661 1.00 42.14 C ATOM 921 O SER A 59 -5.977 -9.467 -11.709 1.00 53.31 O ATOM 922 CB SER A 59 -7.620 -7.935 -10.086 1.00 31.14 C ATOM 923 OG SER A 59 -8.263 -6.928 -9.317 1.00 63.33 O ATOM 0 H SER A 59 -6.005 -6.122 -10.855 1.00 2.20 H new ATOM 0 HA SER A 59 -5.926 -8.160 -8.774 1.00 23.12 H new ATOM 0 HB2 SER A 59 -7.809 -7.761 -11.145 1.00 31.14 H new ATOM 0 HB3 SER A 59 -8.047 -8.908 -9.842 1.00 31.14 H new ATOM 0 HG SER A 59 -9.225 -6.938 -9.504 1.00 63.33 H new ATOM 929 N ARG A 60 -4.314 -9.583 -10.202 1.00 64.23 N ATOM 930 CA ARG A 60 -3.582 -10.628 -10.937 1.00 24.42 C ATOM 931 C ARG A 60 -3.086 -11.760 -10.020 1.00 75.34 C ATOM 932 O ARG A 60 -2.258 -12.578 -10.433 1.00 64.01 O ATOM 933 CB ARG A 60 -2.387 -10.005 -11.678 1.00 41.01 C ATOM 934 CG ARG A 60 -1.408 -9.271 -10.763 1.00 73.23 C ATOM 935 CD ARG A 60 -0.177 -8.780 -11.522 1.00 33.02 C ATOM 936 NE ARG A 60 -0.526 -7.890 -12.629 1.00 53.03 N ATOM 937 CZ ARG A 60 0.240 -7.679 -13.669 1.00 52.31 C ATOM 938 NH1 ARG A 60 1.400 -8.244 -13.757 1.00 41.41 N ATOM 939 NH2 ARG A 60 -0.154 -6.892 -14.615 1.00 73.34 N ATOM 0 H ARG A 60 -3.871 -9.291 -9.331 1.00 64.23 H new ATOM 0 HA ARG A 60 -4.281 -11.068 -11.649 1.00 24.42 H new ATOM 0 HB2 ARG A 60 -1.852 -10.791 -12.211 1.00 41.01 H new ATOM 0 HB3 ARG A 60 -2.760 -9.308 -12.429 1.00 41.01 H new ATOM 0 HG2 ARG A 60 -1.911 -8.422 -10.300 1.00 73.23 H new ATOM 0 HG3 ARG A 60 -1.096 -9.936 -9.957 1.00 73.23 H new ATOM 0 HD2 ARG A 60 0.487 -8.257 -10.834 1.00 33.02 H new ATOM 0 HD3 ARG A 60 0.375 -9.637 -11.908 1.00 33.02 H new ATOM 0 HE ARG A 60 -1.422 -7.404 -12.588 1.00 53.03 H new ATOM 0 HH11 ARG A 60 1.725 -8.860 -13.012 1.00 41.41 H new ATOM 0 HH12 ARG A 60 1.990 -8.073 -14.571 1.00 41.41 H new ATOM 0 HH21 ARG A 60 -1.063 -6.434 -14.552 1.00 73.34 H new ATOM 0 HH22 ARG A 60 0.444 -6.729 -15.425 1.00 73.34 H new ATOM 953 N TYR A 61 -3.598 -11.824 -8.789 1.00 4.04 N ATOM 954 CA TYR A 61 -3.145 -12.833 -7.817 1.00 32.33 C ATOM 955 C TYR A 61 -4.104 -12.947 -6.618 1.00 41.33 C ATOM 956 O TYR A 61 -4.871 -12.024 -6.330 1.00 52.52 O ATOM 957 CB TYR A 61 -1.735 -12.480 -7.309 1.00 32.24 C ATOM 958 CG TYR A 61 -1.689 -11.216 -6.464 1.00 41.41 C ATOM 959 CD1 TYR A 61 -1.759 -9.956 -7.053 1.00 11.12 C ATOM 960 CD2 TYR A 61 -1.588 -11.283 -5.076 1.00 25.31 C ATOM 961 CE1 TYR A 61 -1.731 -8.806 -6.286 1.00 53.32 C ATOM 962 CE2 TYR A 61 -1.563 -10.138 -4.305 1.00 4.41 C ATOM 963 CZ TYR A 61 -1.633 -8.904 -4.913 1.00 10.21 C ATOM 964 OH TYR A 61 -1.612 -7.761 -4.145 1.00 42.15 O ATOM 0 H TYR A 61 -4.322 -11.196 -8.439 1.00 4.04 H new ATOM 0 HA TYR A 61 -3.128 -13.794 -8.330 1.00 32.33 H new ATOM 0 HB2 TYR A 61 -1.351 -13.314 -6.721 1.00 32.24 H new ATOM 0 HB3 TYR A 61 -1.070 -12.359 -8.164 1.00 32.24 H new ATOM 0 HD1 TYR A 61 -1.836 -9.876 -8.127 1.00 11.12 H new ATOM 0 HD2 TYR A 61 -1.528 -12.248 -4.595 1.00 25.31 H new ATOM 0 HE1 TYR A 61 -1.786 -7.836 -6.759 1.00 53.32 H new ATOM 0 HE2 TYR A 61 -1.489 -10.210 -3.230 1.00 4.41 H new ATOM 0 HH TYR A 61 -1.541 -8.004 -3.198 1.00 42.15 H new ATOM 974 N VAL A 62 -4.051 -14.084 -5.927 1.00 41.32 N ATOM 975 CA VAL A 62 -4.794 -14.278 -4.675 1.00 44.12 C ATOM 976 C VAL A 62 -3.840 -14.195 -3.469 1.00 52.41 C ATOM 977 O VAL A 62 -2.966 -15.046 -3.296 1.00 44.35 O ATOM 978 CB VAL A 62 -5.531 -15.642 -4.657 1.00 40.33 C ATOM 979 CG1 VAL A 62 -6.330 -15.812 -3.365 1.00 72.04 C ATOM 980 CG2 VAL A 62 -6.439 -15.782 -5.878 1.00 75.10 C ATOM 0 H VAL A 62 -3.498 -14.892 -6.212 1.00 41.32 H new ATOM 0 HA VAL A 62 -5.538 -13.484 -4.609 1.00 44.12 H new ATOM 0 HB VAL A 62 -4.782 -16.433 -4.697 1.00 40.33 H new ATOM 0 HG11 VAL A 62 -6.838 -16.776 -3.376 1.00 72.04 H new ATOM 0 HG12 VAL A 62 -5.654 -15.767 -2.511 1.00 72.04 H new ATOM 0 HG13 VAL A 62 -7.068 -15.014 -3.286 1.00 72.04 H new ATOM 0 HG21 VAL A 62 -6.946 -16.746 -5.845 1.00 75.10 H new ATOM 0 HG22 VAL A 62 -7.179 -14.982 -5.875 1.00 75.10 H new ATOM 0 HG23 VAL A 62 -5.840 -15.718 -6.786 1.00 75.10 H new ATOM 990 N LEU A 63 -4.015 -13.168 -2.640 1.00 5.01 N ATOM 991 CA LEU A 63 -3.100 -12.901 -1.519 1.00 23.11 C ATOM 992 C LEU A 63 -3.400 -13.826 -0.320 1.00 64.20 C ATOM 993 O LEU A 63 -4.491 -13.789 0.248 1.00 63.12 O ATOM 994 CB LEU A 63 -3.216 -11.418 -1.108 1.00 4.02 C ATOM 995 CG LEU A 63 -1.926 -10.751 -0.581 1.00 75.42 C ATOM 996 CD1 LEU A 63 -2.170 -9.273 -0.287 1.00 3.40 C ATOM 997 CD2 LEU A 63 -1.397 -11.463 0.662 1.00 1.44 C ATOM 0 H LEU A 63 -4.783 -12.502 -2.719 1.00 5.01 H new ATOM 0 HA LEU A 63 -2.079 -13.107 -1.841 1.00 23.11 H new ATOM 0 HB2 LEU A 63 -3.567 -10.851 -1.970 1.00 4.02 H new ATOM 0 HB3 LEU A 63 -3.983 -11.335 -0.338 1.00 4.02 H new ATOM 0 HG LEU A 63 -1.167 -10.833 -1.359 1.00 75.42 H new ATOM 0 HD11 LEU A 63 -1.251 -8.819 0.083 1.00 3.40 H new ATOM 0 HD12 LEU A 63 -2.482 -8.767 -1.201 1.00 3.40 H new ATOM 0 HD13 LEU A 63 -2.952 -9.176 0.467 1.00 3.40 H new ATOM 0 HD21 LEU A 63 -0.489 -10.968 1.006 1.00 1.44 H new ATOM 0 HD22 LEU A 63 -2.150 -11.428 1.449 1.00 1.44 H new ATOM 0 HD23 LEU A 63 -1.174 -12.502 0.419 1.00 1.44 H new ATOM 1009 N LYS A 64 -2.422 -14.651 0.061 1.00 12.12 N ATOM 1010 CA LYS A 64 -2.586 -15.591 1.182 1.00 35.13 C ATOM 1011 C LYS A 64 -2.791 -14.876 2.529 1.00 10.12 C ATOM 1012 O LYS A 64 -2.341 -13.747 2.731 1.00 71.55 O ATOM 1013 CB LYS A 64 -1.377 -16.538 1.274 1.00 64.23 C ATOM 1014 CG LYS A 64 -1.362 -17.623 0.201 1.00 23.34 C ATOM 1015 CD LYS A 64 -0.178 -18.572 0.369 1.00 71.34 C ATOM 1016 CE LYS A 64 -0.269 -19.770 -0.572 1.00 31.13 C ATOM 1017 NZ LYS A 64 -0.303 -19.367 -2.006 1.00 62.23 N ATOM 0 H LYS A 64 -1.507 -14.690 -0.388 1.00 12.12 H new ATOM 0 HA LYS A 64 -3.488 -16.167 0.977 1.00 35.13 H new ATOM 0 HB2 LYS A 64 -0.461 -15.952 1.198 1.00 64.23 H new ATOM 0 HB3 LYS A 64 -1.372 -17.011 2.256 1.00 64.23 H new ATOM 0 HG2 LYS A 64 -2.292 -18.191 0.245 1.00 23.34 H new ATOM 0 HG3 LYS A 64 -1.319 -17.159 -0.784 1.00 23.34 H new ATOM 0 HD2 LYS A 64 0.750 -18.032 0.180 1.00 71.34 H new ATOM 0 HD3 LYS A 64 -0.138 -18.923 1.400 1.00 71.34 H new ATOM 0 HE2 LYS A 64 0.584 -20.427 -0.403 1.00 31.13 H new ATOM 0 HE3 LYS A 64 -1.165 -20.345 -0.338 1.00 31.13 H new ATOM 0 HZ1 LYS A 64 -0.314 -20.217 -2.605 1.00 62.23 H new ATOM 0 HZ2 LYS A 64 -1.158 -18.804 -2.188 1.00 62.23 H new ATOM 0 HZ3 LYS A 64 0.539 -18.798 -2.227 1.00 62.23 H new ATOM 1031 N ALA A 65 -3.483 -15.548 3.449 1.00 70.13 N ATOM 1032 CA ALA A 65 -3.737 -15.000 4.788 1.00 52.42 C ATOM 1033 C ALA A 65 -2.435 -14.798 5.580 1.00 32.01 C ATOM 1034 O ALA A 65 -1.623 -15.715 5.707 1.00 4.33 O ATOM 1035 CB ALA A 65 -4.683 -15.915 5.556 1.00 11.01 C ATOM 0 H ALA A 65 -3.880 -16.475 3.294 1.00 70.13 H new ATOM 0 HA ALA A 65 -4.201 -14.021 4.663 1.00 52.42 H new ATOM 0 HB1 ALA A 65 -4.865 -15.500 6.547 1.00 11.01 H new ATOM 0 HB2 ALA A 65 -5.627 -15.997 5.018 1.00 11.01 H new ATOM 0 HB3 ALA A 65 -4.234 -16.904 5.653 1.00 11.01 H new ATOM 1041 N GLY A 66 -2.243 -13.590 6.110 1.00 54.22 N ATOM 1042 CA GLY A 66 -1.053 -13.294 6.907 1.00 4.33 C ATOM 1043 C GLY A 66 0.162 -12.909 6.064 1.00 2.11 C ATOM 1044 O GLY A 66 1.227 -12.596 6.602 1.00 72.13 O ATOM 0 H GLY A 66 -2.889 -12.808 6.004 1.00 54.22 H new ATOM 0 HA2 GLY A 66 -1.280 -12.481 7.597 1.00 4.33 H new ATOM 0 HA3 GLY A 66 -0.804 -14.166 7.513 1.00 4.33 H new ATOM 1048 N GLN A 67 0.007 -12.931 4.743 1.00 30.34 N ATOM 1049 CA GLN A 67 1.094 -12.573 3.824 1.00 20.35 C ATOM 1050 C GLN A 67 1.106 -11.061 3.530 1.00 71.05 C ATOM 1051 O GLN A 67 0.060 -10.408 3.529 1.00 52.44 O ATOM 1052 CB GLN A 67 0.957 -13.373 2.515 1.00 32.02 C ATOM 1053 CG GLN A 67 1.994 -13.034 1.437 1.00 12.04 C ATOM 1054 CD GLN A 67 3.388 -13.609 1.687 1.00 40.35 C ATOM 1055 OE1 GLN A 67 4.116 -13.904 0.746 1.00 72.53 O ATOM 1056 NE2 GLN A 67 3.780 -13.780 2.937 1.00 55.14 N ATOM 0 H GLN A 67 -0.863 -13.193 4.279 1.00 30.34 H new ATOM 0 HA GLN A 67 2.041 -12.825 4.302 1.00 20.35 H new ATOM 0 HB2 GLN A 67 1.030 -14.436 2.747 1.00 32.02 H new ATOM 0 HB3 GLN A 67 -0.039 -13.204 2.106 1.00 32.02 H new ATOM 0 HG2 GLN A 67 1.632 -13.400 0.476 1.00 12.04 H new ATOM 0 HG3 GLN A 67 2.072 -11.950 1.356 1.00 12.04 H new ATOM 0 HE21 GLN A 67 3.158 -13.528 3.705 1.00 55.14 H new ATOM 0 HE22 GLN A 67 4.704 -14.164 3.134 1.00 55.14 H new ATOM 1065 N THR A 68 2.296 -10.511 3.284 1.00 72.34 N ATOM 1066 CA THR A 68 2.454 -9.079 2.998 1.00 42.23 C ATOM 1067 C THR A 68 2.490 -8.793 1.492 1.00 34.23 C ATOM 1068 O THR A 68 2.803 -9.668 0.684 1.00 44.21 O ATOM 1069 CB THR A 68 3.755 -8.519 3.624 1.00 4.24 C ATOM 1070 OG1 THR A 68 4.893 -9.226 3.108 1.00 42.15 O ATOM 1071 CG2 THR A 68 3.730 -8.640 5.142 1.00 53.44 C ATOM 0 H THR A 68 3.170 -11.036 3.277 1.00 72.34 H new ATOM 0 HA THR A 68 1.586 -8.589 3.438 1.00 42.23 H new ATOM 0 HB THR A 68 3.827 -7.464 3.361 1.00 4.24 H new ATOM 0 HG1 THR A 68 5.712 -8.864 3.508 1.00 42.15 H new ATOM 0 HG21 THR A 68 4.656 -8.239 5.554 1.00 53.44 H new ATOM 0 HG22 THR A 68 2.884 -8.079 5.538 1.00 53.44 H new ATOM 0 HG23 THR A 68 3.633 -9.689 5.422 1.00 53.44 H new ATOM 1079 N VAL A 69 2.168 -7.557 1.122 1.00 11.54 N ATOM 1080 CA VAL A 69 2.277 -7.100 -0.266 1.00 63.51 C ATOM 1081 C VAL A 69 3.118 -5.812 -0.337 1.00 41.33 C ATOM 1082 O VAL A 69 2.838 -4.827 0.353 1.00 73.33 O ATOM 1083 CB VAL A 69 0.881 -6.870 -0.911 1.00 20.33 C ATOM 1084 CG1 VAL A 69 0.047 -5.880 -0.100 1.00 62.53 C ATOM 1085 CG2 VAL A 69 1.024 -6.406 -2.360 1.00 52.14 C ATOM 0 H VAL A 69 1.826 -6.846 1.768 1.00 11.54 H new ATOM 0 HA VAL A 69 2.775 -7.886 -0.834 1.00 63.51 H new ATOM 0 HB VAL A 69 0.353 -7.823 -0.908 1.00 20.33 H new ATOM 0 HG11 VAL A 69 -0.922 -5.743 -0.579 1.00 62.53 H new ATOM 0 HG12 VAL A 69 -0.098 -6.267 0.908 1.00 62.53 H new ATOM 0 HG13 VAL A 69 0.566 -4.923 -0.050 1.00 62.53 H new ATOM 0 HG21 VAL A 69 0.035 -6.251 -2.792 1.00 52.14 H new ATOM 0 HG22 VAL A 69 1.583 -5.471 -2.389 1.00 52.14 H new ATOM 0 HG23 VAL A 69 1.556 -7.165 -2.934 1.00 52.14 H new ATOM 1095 N THR A 70 4.164 -5.836 -1.159 1.00 1.31 N ATOM 1096 CA THR A 70 5.118 -4.722 -1.232 1.00 53.35 C ATOM 1097 C THR A 70 4.869 -3.832 -2.460 1.00 45.11 C ATOM 1098 O THR A 70 5.133 -4.232 -3.593 1.00 63.00 O ATOM 1099 CB THR A 70 6.578 -5.243 -1.271 1.00 64.23 C ATOM 1100 OG1 THR A 70 6.806 -6.166 -0.189 1.00 11.32 O ATOM 1101 CG2 THR A 70 7.573 -4.091 -1.172 1.00 52.53 C ATOM 0 H THR A 70 4.376 -6.612 -1.786 1.00 1.31 H new ATOM 0 HA THR A 70 4.967 -4.124 -0.333 1.00 53.35 H new ATOM 0 HB THR A 70 6.726 -5.753 -2.223 1.00 64.23 H new ATOM 0 HG1 THR A 70 7.730 -6.490 -0.224 1.00 11.32 H new ATOM 0 HG21 THR A 70 8.589 -4.484 -1.202 1.00 52.53 H new ATOM 0 HG22 THR A 70 7.424 -3.408 -2.008 1.00 52.53 H new ATOM 0 HG23 THR A 70 7.418 -3.556 -0.235 1.00 52.53 H new ATOM 1109 N ILE A 71 4.354 -2.628 -2.225 1.00 30.04 N ATOM 1110 CA ILE A 71 4.087 -1.666 -3.302 1.00 62.11 C ATOM 1111 C ILE A 71 5.292 -0.736 -3.530 1.00 54.30 C ATOM 1112 O ILE A 71 5.524 0.195 -2.758 1.00 42.22 O ATOM 1113 CB ILE A 71 2.834 -0.808 -2.981 1.00 24.22 C ATOM 1114 CG1 ILE A 71 1.627 -1.710 -2.660 1.00 63.20 C ATOM 1115 CG2 ILE A 71 2.515 0.134 -4.144 1.00 2.25 C ATOM 1116 CD1 ILE A 71 1.247 -2.657 -3.783 1.00 51.24 C ATOM 0 H ILE A 71 4.110 -2.290 -1.294 1.00 30.04 H new ATOM 0 HA ILE A 71 3.906 -2.241 -4.210 1.00 62.11 H new ATOM 0 HB ILE A 71 3.048 -0.202 -2.101 1.00 24.22 H new ATOM 0 HG12 ILE A 71 1.850 -2.293 -1.767 1.00 63.20 H new ATOM 0 HG13 ILE A 71 0.769 -1.081 -2.424 1.00 63.20 H new ATOM 0 HG21 ILE A 71 1.634 0.727 -3.900 1.00 2.25 H new ATOM 0 HG22 ILE A 71 3.362 0.797 -4.318 1.00 2.25 H new ATOM 0 HG23 ILE A 71 2.322 -0.451 -5.043 1.00 2.25 H new ATOM 0 HD11 ILE A 71 0.389 -3.257 -3.479 1.00 51.24 H new ATOM 0 HD12 ILE A 71 0.990 -2.082 -4.673 1.00 51.24 H new ATOM 0 HD13 ILE A 71 2.088 -3.314 -4.006 1.00 51.24 H new ATOM 1128 N TRP A 72 6.061 -1.001 -4.583 1.00 73.12 N ATOM 1129 CA TRP A 72 7.250 -0.198 -4.903 1.00 14.52 C ATOM 1130 C TRP A 72 6.897 1.048 -5.727 1.00 13.43 C ATOM 1131 O TRP A 72 5.775 1.196 -6.199 1.00 11.25 O ATOM 1132 CB TRP A 72 8.263 -1.044 -5.680 1.00 73.51 C ATOM 1133 CG TRP A 72 8.888 -2.142 -4.876 1.00 10.15 C ATOM 1134 CD1 TRP A 72 8.390 -3.393 -4.663 1.00 3.30 C ATOM 1135 CD2 TRP A 72 10.140 -2.084 -4.183 1.00 42.44 C ATOM 1136 NE1 TRP A 72 9.254 -4.114 -3.878 1.00 3.21 N ATOM 1137 CE2 TRP A 72 10.336 -3.334 -3.571 1.00 51.02 C ATOM 1138 CE3 TRP A 72 11.114 -1.093 -4.020 1.00 2.24 C ATOM 1139 CZ2 TRP A 72 11.467 -3.621 -2.810 1.00 45.53 C ATOM 1140 CZ3 TRP A 72 12.237 -1.379 -3.267 1.00 34.10 C ATOM 1141 CH2 TRP A 72 12.405 -2.635 -2.669 1.00 30.44 C ATOM 0 H TRP A 72 5.886 -1.767 -5.234 1.00 73.12 H new ATOM 0 HA TRP A 72 7.682 0.130 -3.957 1.00 14.52 H new ATOM 0 HB2 TRP A 72 7.767 -1.480 -6.547 1.00 73.51 H new ATOM 0 HB3 TRP A 72 9.050 -0.392 -6.058 1.00 73.51 H new ATOM 0 HD1 TRP A 72 7.454 -3.762 -5.054 1.00 3.30 H new ATOM 0 HE1 TRP A 72 9.113 -5.077 -3.572 1.00 3.21 H new ATOM 0 HE3 TRP A 72 10.990 -0.121 -4.475 1.00 2.24 H new ATOM 0 HZ2 TRP A 72 11.599 -4.588 -2.347 1.00 45.53 H new ATOM 0 HZ3 TRP A 72 12.997 -0.623 -3.137 1.00 34.10 H new ATOM 0 HH2 TRP A 72 13.293 -2.829 -2.085 1.00 30.44 H new ATOM 1152 N ALA A 73 7.869 1.940 -5.896 1.00 10.03 N ATOM 1153 CA ALA A 73 7.698 3.118 -6.751 1.00 50.24 C ATOM 1154 C ALA A 73 8.187 2.843 -8.187 1.00 44.41 C ATOM 1155 O ALA A 73 8.864 1.847 -8.444 1.00 2.40 O ATOM 1156 CB ALA A 73 8.438 4.307 -6.145 1.00 44.32 C ATOM 0 H ALA A 73 8.785 1.872 -5.453 1.00 10.03 H new ATOM 0 HA ALA A 73 6.635 3.353 -6.808 1.00 50.24 H new ATOM 0 HB1 ALA A 73 8.308 5.180 -6.784 1.00 44.32 H new ATOM 0 HB2 ALA A 73 8.036 4.519 -5.154 1.00 44.32 H new ATOM 0 HB3 ALA A 73 9.499 4.072 -6.063 1.00 44.32 H new ATOM 1162 N ALA A 74 7.849 3.739 -9.118 1.00 63.21 N ATOM 1163 CA ALA A 74 8.211 3.575 -10.538 1.00 73.14 C ATOM 1164 C ALA A 74 9.705 3.281 -10.738 1.00 22.02 C ATOM 1165 O ALA A 74 10.084 2.438 -11.551 1.00 2.12 O ATOM 1166 CB ALA A 74 7.816 4.817 -11.331 1.00 74.34 C ATOM 0 H ALA A 74 7.323 4.590 -8.918 1.00 63.21 H new ATOM 0 HA ALA A 74 7.659 2.710 -10.907 1.00 73.14 H new ATOM 0 HB1 ALA A 74 8.089 4.682 -12.378 1.00 74.34 H new ATOM 0 HB2 ALA A 74 6.740 4.971 -11.254 1.00 74.34 H new ATOM 0 HB3 ALA A 74 8.337 5.686 -10.929 1.00 74.34 H new ATOM 1172 N ASN A 75 10.555 3.978 -9.991 1.00 11.21 N ATOM 1173 CA ASN A 75 12.007 3.805 -10.109 1.00 54.33 C ATOM 1174 C ASN A 75 12.546 2.778 -9.096 1.00 34.00 C ATOM 1175 O ASN A 75 13.664 2.914 -8.591 1.00 43.23 O ATOM 1176 CB ASN A 75 12.709 5.156 -9.932 1.00 2.31 C ATOM 1177 CG ASN A 75 12.362 6.141 -11.034 1.00 65.21 C ATOM 1178 OD1 ASN A 75 12.049 5.756 -12.160 1.00 34.50 O ATOM 1179 ND2 ASN A 75 12.422 7.416 -10.724 1.00 55.31 N ATOM 0 H ASN A 75 10.268 4.668 -9.297 1.00 11.21 H new ATOM 0 HA ASN A 75 12.219 3.417 -11.105 1.00 54.33 H new ATOM 0 HB2 ASN A 75 12.432 5.582 -8.968 1.00 2.31 H new ATOM 0 HB3 ASN A 75 13.788 5.001 -9.914 1.00 2.31 H new ATOM 0 HD21 ASN A 75 12.205 8.123 -11.427 1.00 55.31 H new ATOM 0 HD22 ASN A 75 12.685 7.700 -9.780 1.00 55.31 H new ATOM 1186 N ALA A 76 11.759 1.737 -8.825 1.00 42.30 N ATOM 1187 CA ALA A 76 12.163 0.672 -7.897 1.00 15.22 C ATOM 1188 C ALA A 76 13.370 -0.129 -8.411 1.00 14.31 C ATOM 1189 O ALA A 76 14.308 -0.407 -7.663 1.00 1.24 O ATOM 1190 CB ALA A 76 10.990 -0.263 -7.643 1.00 32.14 C ATOM 0 H ALA A 76 10.834 1.605 -9.235 1.00 42.30 H new ATOM 0 HA ALA A 76 12.467 1.151 -6.966 1.00 15.22 H new ATOM 0 HB1 ALA A 76 11.295 -1.051 -6.954 1.00 32.14 H new ATOM 0 HB2 ALA A 76 10.164 0.299 -7.208 1.00 32.14 H new ATOM 0 HB3 ALA A 76 10.669 -0.709 -8.585 1.00 32.14 H new ATOM 1196 N GLY A 77 13.328 -0.511 -9.685 1.00 60.24 N ATOM 1197 CA GLY A 77 14.410 -1.295 -10.278 1.00 51.12 C ATOM 1198 C GLY A 77 14.073 -2.778 -10.410 1.00 33.34 C ATOM 1199 O GLY A 77 14.435 -3.422 -11.398 1.00 51.34 O ATOM 0 H GLY A 77 12.563 -0.293 -10.323 1.00 60.24 H new ATOM 0 HA2 GLY A 77 14.644 -0.893 -11.264 1.00 51.12 H new ATOM 0 HA3 GLY A 77 15.307 -1.185 -9.668 1.00 51.12 H new ATOM 1203 N VAL A 78 13.383 -3.321 -9.408 1.00 72.22 N ATOM 1204 CA VAL A 78 12.973 -4.734 -9.409 1.00 13.22 C ATOM 1205 C VAL A 78 11.909 -5.028 -10.485 1.00 22.31 C ATOM 1206 O VAL A 78 11.370 -4.112 -11.109 1.00 23.12 O ATOM 1207 CB VAL A 78 12.424 -5.157 -8.021 1.00 50.31 C ATOM 1208 CG1 VAL A 78 13.517 -5.061 -6.959 1.00 31.51 C ATOM 1209 CG2 VAL A 78 11.211 -4.312 -7.634 1.00 42.54 C ATOM 0 H VAL A 78 13.092 -2.804 -8.578 1.00 72.22 H new ATOM 0 HA VAL A 78 13.867 -5.314 -9.639 1.00 13.22 H new ATOM 0 HB VAL A 78 12.101 -6.196 -8.084 1.00 50.31 H new ATOM 0 HG11 VAL A 78 13.113 -5.362 -5.992 1.00 31.51 H new ATOM 0 HG12 VAL A 78 14.344 -5.719 -7.227 1.00 31.51 H new ATOM 0 HG13 VAL A 78 13.876 -4.034 -6.898 1.00 31.51 H new ATOM 0 HG21 VAL A 78 10.844 -4.628 -6.657 1.00 42.54 H new ATOM 0 HG22 VAL A 78 11.498 -3.261 -7.592 1.00 42.54 H new ATOM 0 HG23 VAL A 78 10.424 -4.443 -8.377 1.00 42.54 H new ATOM 1219 N THR A 79 11.613 -6.314 -10.695 1.00 31.41 N ATOM 1220 CA THR A 79 10.623 -6.734 -11.704 1.00 23.35 C ATOM 1221 C THR A 79 9.233 -6.151 -11.403 1.00 33.13 C ATOM 1222 O THR A 79 8.728 -6.295 -10.293 1.00 23.12 O ATOM 1223 CB THR A 79 10.506 -8.280 -11.779 1.00 51.04 C ATOM 1224 OG1 THR A 79 11.795 -8.870 -12.021 1.00 22.50 O ATOM 1225 CG2 THR A 79 9.538 -8.709 -12.882 1.00 33.14 C ATOM 0 H THR A 79 12.042 -7.085 -10.183 1.00 31.41 H new ATOM 0 HA THR A 79 10.978 -6.352 -12.661 1.00 23.35 H new ATOM 0 HB THR A 79 10.120 -8.628 -10.821 1.00 51.04 H new ATOM 0 HG1 THR A 79 11.706 -9.845 -12.064 1.00 22.50 H new ATOM 0 HG21 THR A 79 9.477 -9.797 -12.910 1.00 33.14 H new ATOM 0 HG22 THR A 79 8.550 -8.295 -12.680 1.00 33.14 H new ATOM 0 HG23 THR A 79 9.896 -8.341 -13.844 1.00 33.14 H new ATOM 1233 N ALA A 80 8.619 -5.516 -12.406 1.00 10.52 N ATOM 1234 CA ALA A 80 7.317 -4.843 -12.243 1.00 65.20 C ATOM 1235 C ALA A 80 6.259 -5.741 -11.575 1.00 3.34 C ATOM 1236 O ALA A 80 5.471 -5.274 -10.749 1.00 74.54 O ATOM 1237 CB ALA A 80 6.806 -4.350 -13.592 1.00 42.30 C ATOM 0 H ALA A 80 9.003 -5.451 -13.349 1.00 10.52 H new ATOM 0 HA ALA A 80 7.482 -3.995 -11.578 1.00 65.20 H new ATOM 0 HB1 ALA A 80 5.844 -3.855 -13.458 1.00 42.30 H new ATOM 0 HB2 ALA A 80 7.521 -3.645 -14.016 1.00 42.30 H new ATOM 0 HB3 ALA A 80 6.687 -5.197 -14.268 1.00 42.30 H new ATOM 1243 N SER A 81 6.231 -7.021 -11.943 1.00 64.51 N ATOM 1244 CA SER A 81 5.298 -7.976 -11.330 1.00 23.15 C ATOM 1245 C SER A 81 5.913 -9.385 -11.246 1.00 34.22 C ATOM 1246 O SER A 81 5.790 -10.189 -12.173 1.00 41.12 O ATOM 1247 CB SER A 81 3.979 -8.015 -12.111 1.00 23.02 C ATOM 1248 OG SER A 81 3.005 -8.817 -11.456 1.00 62.25 O ATOM 0 H SER A 81 6.838 -7.423 -12.658 1.00 64.51 H new ATOM 0 HA SER A 81 5.095 -7.638 -10.314 1.00 23.15 H new ATOM 0 HB2 SER A 81 3.596 -7.001 -12.230 1.00 23.02 H new ATOM 0 HB3 SER A 81 4.160 -8.407 -13.112 1.00 23.02 H new ATOM 0 HG SER A 81 2.709 -8.368 -10.637 1.00 62.25 H new ATOM 1254 N PRO A 82 6.617 -9.682 -10.131 1.00 33.44 N ATOM 1255 CA PRO A 82 7.273 -10.992 -9.894 1.00 24.21 C ATOM 1256 C PRO A 82 6.358 -12.259 -9.886 1.00 61.13 C ATOM 1257 O PRO A 82 6.824 -13.325 -10.288 1.00 55.11 O ATOM 1258 CB PRO A 82 7.946 -10.809 -8.521 1.00 31.23 C ATOM 1259 CG PRO A 82 8.107 -9.336 -8.374 1.00 71.43 C ATOM 1260 CD PRO A 82 6.899 -8.733 -9.033 1.00 63.02 C ATOM 0 HA PRO A 82 7.941 -11.208 -10.728 1.00 24.21 H new ATOM 0 HB2 PRO A 82 7.332 -11.222 -7.721 1.00 31.23 H new ATOM 0 HB3 PRO A 82 8.909 -11.319 -8.480 1.00 31.23 H new ATOM 0 HG2 PRO A 82 8.165 -9.050 -7.324 1.00 71.43 H new ATOM 0 HG3 PRO A 82 9.026 -8.992 -8.849 1.00 71.43 H new ATOM 0 HD2 PRO A 82 6.059 -8.652 -8.342 1.00 63.02 H new ATOM 0 HD3 PRO A 82 7.101 -7.730 -9.408 1.00 63.02 H new ATOM 1268 N PRO A 83 5.059 -12.225 -9.450 1.00 72.11 N ATOM 1269 CA PRO A 83 4.309 -11.045 -8.997 1.00 23.42 C ATOM 1270 C PRO A 83 4.192 -10.910 -7.466 1.00 52.04 C ATOM 1271 O PRO A 83 3.150 -10.497 -6.953 1.00 52.24 O ATOM 1272 CB PRO A 83 2.938 -11.341 -9.602 1.00 61.41 C ATOM 1273 CG PRO A 83 2.783 -12.826 -9.455 1.00 74.40 C ATOM 1274 CD PRO A 83 4.183 -13.411 -9.404 1.00 53.32 C ATOM 0 HA PRO A 83 4.785 -10.111 -9.294 1.00 23.42 H new ATOM 0 HB2 PRO A 83 2.147 -10.804 -9.078 1.00 61.41 H new ATOM 0 HB3 PRO A 83 2.890 -11.037 -10.648 1.00 61.41 H new ATOM 0 HG2 PRO A 83 2.229 -13.069 -8.548 1.00 74.40 H new ATOM 0 HG3 PRO A 83 2.221 -13.241 -10.292 1.00 74.40 H new ATOM 0 HD2 PRO A 83 4.342 -13.991 -8.495 1.00 53.32 H new ATOM 0 HD3 PRO A 83 4.369 -14.079 -10.245 1.00 53.32 H new ATOM 1282 N THR A 84 5.251 -11.259 -6.742 1.00 42.15 N ATOM 1283 CA THR A 84 5.288 -11.061 -5.284 1.00 63.44 C ATOM 1284 C THR A 84 5.199 -9.571 -4.923 1.00 32.22 C ATOM 1285 O THR A 84 4.416 -9.171 -4.060 1.00 34.52 O ATOM 1286 CB THR A 84 6.576 -11.651 -4.662 1.00 2.22 C ATOM 1287 OG1 THR A 84 7.736 -11.037 -5.247 1.00 21.44 O ATOM 1288 CG2 THR A 84 6.641 -13.162 -4.872 1.00 31.15 C ATOM 0 H THR A 84 6.095 -11.679 -7.132 1.00 42.15 H new ATOM 0 HA THR A 84 4.424 -11.585 -4.876 1.00 63.44 H new ATOM 0 HB THR A 84 6.556 -11.446 -3.592 1.00 2.22 H new ATOM 0 HG1 THR A 84 7.915 -10.184 -4.799 1.00 21.44 H new ATOM 0 HG21 THR A 84 7.556 -13.552 -4.426 1.00 31.15 H new ATOM 0 HG22 THR A 84 5.778 -13.632 -4.401 1.00 31.15 H new ATOM 0 HG23 THR A 84 6.636 -13.382 -5.940 1.00 31.15 H new ATOM 1296 N ASP A 85 6.018 -8.759 -5.585 1.00 44.14 N ATOM 1297 CA ASP A 85 5.992 -7.303 -5.407 1.00 44.32 C ATOM 1298 C ASP A 85 5.078 -6.637 -6.452 1.00 20.33 C ATOM 1299 O ASP A 85 4.758 -7.231 -7.484 1.00 10.13 O ATOM 1300 CB ASP A 85 7.410 -6.737 -5.534 1.00 63.34 C ATOM 1301 CG ASP A 85 8.401 -7.444 -4.627 1.00 1.51 C ATOM 1302 OD1 ASP A 85 8.891 -8.528 -5.005 1.00 24.43 O ATOM 1303 OD2 ASP A 85 8.699 -6.924 -3.532 1.00 42.13 O ATOM 0 H ASP A 85 6.715 -9.084 -6.256 1.00 44.14 H new ATOM 0 HA ASP A 85 5.598 -7.089 -4.413 1.00 44.32 H new ATOM 0 HB2 ASP A 85 7.742 -6.826 -6.568 1.00 63.34 H new ATOM 0 HB3 ASP A 85 7.396 -5.674 -5.293 1.00 63.34 H new ATOM 1308 N LEU A 86 4.659 -5.404 -6.179 1.00 61.44 N ATOM 1309 CA LEU A 86 3.859 -4.622 -7.135 1.00 4.12 C ATOM 1310 C LEU A 86 4.459 -3.221 -7.324 1.00 23.13 C ATOM 1311 O LEU A 86 4.414 -2.387 -6.419 1.00 43.22 O ATOM 1312 CB LEU A 86 2.398 -4.506 -6.663 1.00 62.14 C ATOM 1313 CG LEU A 86 1.621 -5.833 -6.550 1.00 32.40 C ATOM 1314 CD1 LEU A 86 0.190 -5.583 -6.073 1.00 61.12 C ATOM 1315 CD2 LEU A 86 1.625 -6.578 -7.885 1.00 23.33 C ATOM 0 H LEU A 86 4.857 -4.919 -5.304 1.00 61.44 H new ATOM 0 HA LEU A 86 3.876 -5.145 -8.091 1.00 4.12 H new ATOM 0 HB2 LEU A 86 2.389 -4.017 -5.689 1.00 62.14 H new ATOM 0 HB3 LEU A 86 1.864 -3.852 -7.353 1.00 62.14 H new ATOM 0 HG LEU A 86 2.121 -6.458 -5.811 1.00 32.40 H new ATOM 0 HD11 LEU A 86 -0.340 -6.532 -6.000 1.00 61.12 H new ATOM 0 HD12 LEU A 86 0.211 -5.103 -5.094 1.00 61.12 H new ATOM 0 HD13 LEU A 86 -0.322 -4.935 -6.784 1.00 61.12 H new ATOM 0 HD21 LEU A 86 1.071 -7.511 -7.783 1.00 23.33 H new ATOM 0 HD22 LEU A 86 1.154 -5.959 -8.649 1.00 23.33 H new ATOM 0 HD23 LEU A 86 2.652 -6.796 -8.177 1.00 23.33 H new ATOM 1327 N ILE A 87 5.035 -2.970 -8.499 1.00 34.01 N ATOM 1328 CA ILE A 87 5.688 -1.684 -8.777 1.00 44.30 C ATOM 1329 C ILE A 87 4.679 -0.630 -9.275 1.00 4.02 C ATOM 1330 O ILE A 87 4.132 -0.727 -10.377 1.00 71.13 O ATOM 1331 CB ILE A 87 6.860 -1.837 -9.794 1.00 52.14 C ATOM 1332 CG1 ILE A 87 8.058 -2.570 -9.149 1.00 74.42 C ATOM 1333 CG2 ILE A 87 7.313 -0.472 -10.317 1.00 24.31 C ATOM 1334 CD1 ILE A 87 7.750 -3.957 -8.626 1.00 51.32 C ATOM 0 H ILE A 87 5.065 -3.634 -9.273 1.00 34.01 H new ATOM 0 HA ILE A 87 6.105 -1.335 -7.832 1.00 44.30 H new ATOM 0 HB ILE A 87 6.492 -2.430 -10.631 1.00 52.14 H new ATOM 0 HG12 ILE A 87 8.859 -2.645 -9.885 1.00 74.42 H new ATOM 0 HG13 ILE A 87 8.437 -1.963 -8.326 1.00 74.42 H new ATOM 0 HG21 ILE A 87 8.131 -0.607 -11.024 1.00 24.31 H new ATOM 0 HG22 ILE A 87 6.479 0.021 -10.816 1.00 24.31 H new ATOM 0 HG23 ILE A 87 7.652 0.143 -9.483 1.00 24.31 H new ATOM 0 HD11 ILE A 87 8.651 -4.391 -8.192 1.00 51.32 H new ATOM 0 HD12 ILE A 87 6.974 -3.894 -7.863 1.00 51.32 H new ATOM 0 HD13 ILE A 87 7.403 -4.586 -9.446 1.00 51.32 H new ATOM 1346 N TRP A 88 4.443 0.370 -8.436 1.00 14.43 N ATOM 1347 CA TRP A 88 3.530 1.475 -8.734 1.00 42.31 C ATOM 1348 C TRP A 88 4.201 2.522 -9.647 1.00 3.03 C ATOM 1349 O TRP A 88 4.926 3.403 -9.183 1.00 3.41 O ATOM 1350 CB TRP A 88 3.082 2.096 -7.401 1.00 1.31 C ATOM 1351 CG TRP A 88 2.222 3.315 -7.513 1.00 51.41 C ATOM 1352 CD1 TRP A 88 1.273 3.576 -8.453 1.00 0.05 C ATOM 1353 CD2 TRP A 88 2.223 4.432 -6.620 1.00 1.04 C ATOM 1354 NE1 TRP A 88 0.690 4.792 -8.203 1.00 11.45 N ATOM 1355 CE2 TRP A 88 1.256 5.336 -7.083 1.00 14.44 C ATOM 1356 CE3 TRP A 88 2.955 4.753 -5.472 1.00 31.11 C ATOM 1357 CZ2 TRP A 88 0.996 6.540 -6.440 1.00 41.41 C ATOM 1358 CZ3 TRP A 88 2.698 5.947 -4.833 1.00 73.21 C ATOM 1359 CH2 TRP A 88 1.724 6.829 -5.317 1.00 33.00 C ATOM 0 H TRP A 88 4.883 0.441 -7.518 1.00 14.43 H new ATOM 0 HA TRP A 88 2.661 1.103 -9.277 1.00 42.31 H new ATOM 0 HB2 TRP A 88 2.539 1.341 -6.833 1.00 1.31 H new ATOM 0 HB3 TRP A 88 3.970 2.352 -6.823 1.00 1.31 H new ATOM 0 HD1 TRP A 88 1.017 2.923 -9.274 1.00 0.05 H new ATOM 0 HE1 TRP A 88 -0.047 5.221 -8.762 1.00 11.45 H new ATOM 0 HE3 TRP A 88 3.708 4.078 -5.093 1.00 31.11 H new ATOM 0 HZ2 TRP A 88 0.247 7.223 -6.812 1.00 41.41 H new ATOM 0 HZ3 TRP A 88 3.256 6.206 -3.946 1.00 73.21 H new ATOM 0 HH2 TRP A 88 1.543 7.756 -4.794 1.00 33.00 H new ATOM 1370 N LYS A 89 3.949 2.424 -10.957 1.00 23.40 N ATOM 1371 CA LYS A 89 4.633 3.275 -11.944 1.00 63.11 C ATOM 1372 C LYS A 89 3.852 4.559 -12.291 1.00 64.25 C ATOM 1373 O LYS A 89 4.076 5.163 -13.341 1.00 54.42 O ATOM 1374 CB LYS A 89 4.935 2.474 -13.222 1.00 22.11 C ATOM 1375 CG LYS A 89 5.904 1.315 -12.994 1.00 71.20 C ATOM 1376 CD LYS A 89 6.441 0.738 -14.301 1.00 65.01 C ATOM 1377 CE LYS A 89 5.343 0.123 -15.159 1.00 1.43 C ATOM 1378 NZ LYS A 89 5.879 -0.386 -16.449 1.00 4.03 N ATOM 0 H LYS A 89 3.280 1.768 -11.360 1.00 23.40 H new ATOM 0 HA LYS A 89 5.566 3.596 -11.480 1.00 63.11 H new ATOM 0 HB2 LYS A 89 4.001 2.084 -13.627 1.00 22.11 H new ATOM 0 HB3 LYS A 89 5.352 3.145 -13.973 1.00 22.11 H new ATOM 0 HG2 LYS A 89 6.738 1.658 -12.382 1.00 71.20 H new ATOM 0 HG3 LYS A 89 5.399 0.528 -12.433 1.00 71.20 H new ATOM 0 HD2 LYS A 89 6.940 1.526 -14.865 1.00 65.01 H new ATOM 0 HD3 LYS A 89 7.192 -0.020 -14.079 1.00 65.01 H new ATOM 0 HE2 LYS A 89 4.868 -0.693 -14.614 1.00 1.43 H new ATOM 0 HE3 LYS A 89 4.571 0.868 -15.353 1.00 1.43 H new ATOM 0 HZ1 LYS A 89 5.105 -0.798 -17.008 1.00 4.03 H new ATOM 0 HZ2 LYS A 89 6.310 0.398 -16.979 1.00 4.03 H new ATOM 0 HZ3 LYS A 89 6.597 -1.115 -16.263 1.00 4.03 H new ATOM 1392 N ASN A 90 2.958 4.994 -11.404 1.00 54.02 N ATOM 1393 CA ASN A 90 2.272 6.288 -11.577 1.00 75.52 C ATOM 1394 C ASN A 90 3.066 7.420 -10.908 1.00 63.33 C ATOM 1395 O ASN A 90 2.751 8.602 -11.070 1.00 74.31 O ATOM 1396 CB ASN A 90 0.856 6.235 -10.992 1.00 73.51 C ATOM 1397 CG ASN A 90 0.005 5.159 -11.638 1.00 33.13 C ATOM 1398 OD1 ASN A 90 0.007 4.010 -11.212 1.00 41.54 O ATOM 1399 ND2 ASN A 90 -0.733 5.517 -12.665 1.00 72.40 N ATOM 0 H ASN A 90 2.689 4.481 -10.565 1.00 54.02 H new ATOM 0 HA ASN A 90 2.205 6.488 -12.646 1.00 75.52 H new ATOM 0 HB2 ASN A 90 0.915 6.052 -9.919 1.00 73.51 H new ATOM 0 HB3 ASN A 90 0.374 7.204 -11.124 1.00 73.51 H new ATOM 0 HD21 ASN A 90 -1.326 4.830 -13.131 1.00 72.40 H new ATOM 0 HD22 ASN A 90 -0.713 6.482 -12.996 1.00 72.40 H new ATOM 1406 N GLN A 91 4.100 7.044 -10.157 1.00 71.44 N ATOM 1407 CA GLN A 91 4.937 8.004 -9.434 1.00 22.43 C ATOM 1408 C GLN A 91 6.373 7.478 -9.269 1.00 75.04 C ATOM 1409 O GLN A 91 6.584 6.321 -8.909 1.00 51.10 O ATOM 1410 CB GLN A 91 4.313 8.311 -8.065 1.00 54.23 C ATOM 1411 CG GLN A 91 5.196 9.146 -7.147 1.00 3.10 C ATOM 1412 CD GLN A 91 4.462 9.605 -5.902 1.00 30.43 C ATOM 1413 OE1 GLN A 91 4.404 8.898 -4.903 1.00 13.04 O ATOM 1414 NE2 GLN A 91 3.910 10.801 -5.946 1.00 45.41 N ATOM 0 H GLN A 91 4.381 6.072 -10.032 1.00 71.44 H new ATOM 0 HA GLN A 91 4.988 8.924 -10.017 1.00 22.43 H new ATOM 0 HB2 GLN A 91 3.370 8.835 -8.218 1.00 54.23 H new ATOM 0 HB3 GLN A 91 4.078 7.370 -7.567 1.00 54.23 H new ATOM 0 HG2 GLN A 91 6.069 8.562 -6.856 1.00 3.10 H new ATOM 0 HG3 GLN A 91 5.562 10.016 -7.692 1.00 3.10 H new ATOM 0 HE21 GLN A 91 3.978 11.363 -6.795 1.00 45.41 H new ATOM 0 HE22 GLN A 91 3.415 11.165 -5.132 1.00 45.41 H new ATOM 1423 N ASN A 92 7.352 8.339 -9.535 1.00 33.02 N ATOM 1424 CA ASN A 92 8.770 7.951 -9.511 1.00 43.03 C ATOM 1425 C ASN A 92 9.244 7.539 -8.104 1.00 72.42 C ATOM 1426 O ASN A 92 9.762 6.435 -7.921 1.00 1.13 O ATOM 1427 CB ASN A 92 9.626 9.104 -10.039 1.00 62.14 C ATOM 1428 CG ASN A 92 9.205 9.524 -11.433 1.00 31.21 C ATOM 1429 OD1 ASN A 92 8.358 10.394 -11.602 1.00 0.42 O ATOM 1430 ND2 ASN A 92 9.772 8.894 -12.443 1.00 53.12 N ATOM 0 H ASN A 92 7.193 9.318 -9.772 1.00 33.02 H new ATOM 0 HA ASN A 92 8.883 7.078 -10.153 1.00 43.03 H new ATOM 0 HB2 ASN A 92 9.546 9.955 -9.363 1.00 62.14 H new ATOM 0 HB3 ASN A 92 10.674 8.803 -10.051 1.00 62.14 H new ATOM 0 HD21 ASN A 92 9.509 9.126 -13.401 1.00 53.12 H new ATOM 0 HD22 ASN A 92 10.474 8.175 -12.266 1.00 53.12 H new ATOM 1437 N SER A 93 9.070 8.436 -7.128 1.00 65.02 N ATOM 1438 CA SER A 93 9.472 8.178 -5.731 1.00 50.21 C ATOM 1439 C SER A 93 9.128 9.379 -4.833 1.00 13.40 C ATOM 1440 O SER A 93 8.556 10.367 -5.299 1.00 13.22 O ATOM 1441 CB SER A 93 10.983 7.885 -5.634 1.00 13.51 C ATOM 1442 OG SER A 93 11.372 7.578 -4.301 1.00 22.22 O ATOM 0 H SER A 93 8.651 9.354 -7.276 1.00 65.02 H new ATOM 0 HA SER A 93 8.919 7.303 -5.389 1.00 50.21 H new ATOM 0 HB2 SER A 93 11.235 7.051 -6.289 1.00 13.51 H new ATOM 0 HB3 SER A 93 11.545 8.749 -5.988 1.00 13.51 H new ATOM 0 HG SER A 93 12.335 7.396 -4.275 1.00 22.22 H new ATOM 1448 N TRP A 94 9.471 9.286 -3.545 1.00 55.40 N ATOM 1449 CA TRP A 94 9.256 10.392 -2.600 1.00 0.50 C ATOM 1450 C TRP A 94 10.422 10.512 -1.586 1.00 31.34 C ATOM 1451 O TRP A 94 11.336 11.309 -1.794 1.00 32.43 O ATOM 1452 CB TRP A 94 7.875 10.270 -1.898 1.00 73.31 C ATOM 1453 CG TRP A 94 7.590 8.946 -1.223 1.00 62.23 C ATOM 1454 CD1 TRP A 94 7.612 8.691 0.123 1.00 14.14 C ATOM 1455 CD2 TRP A 94 7.210 7.709 -1.851 1.00 32.41 C ATOM 1456 NE1 TRP A 94 7.304 7.376 0.363 1.00 73.13 N ATOM 1457 CE2 TRP A 94 7.047 6.752 -0.830 1.00 10.43 C ATOM 1458 CE3 TRP A 94 7.002 7.315 -3.176 1.00 65.32 C ATOM 1459 CZ2 TRP A 94 6.682 5.431 -1.093 1.00 20.44 C ATOM 1460 CZ3 TRP A 94 6.638 6.007 -3.436 1.00 15.22 C ATOM 1461 CH2 TRP A 94 6.482 5.079 -2.400 1.00 41.20 C ATOM 0 H TRP A 94 9.899 8.458 -3.130 1.00 55.40 H new ATOM 0 HA TRP A 94 9.244 11.320 -3.171 1.00 0.50 H new ATOM 0 HB2 TRP A 94 7.798 11.060 -1.151 1.00 73.31 H new ATOM 0 HB3 TRP A 94 7.096 10.453 -2.638 1.00 73.31 H new ATOM 0 HD1 TRP A 94 7.839 9.421 0.886 1.00 14.14 H new ATOM 0 HE1 TRP A 94 7.271 6.934 1.282 1.00 73.13 H new ATOM 0 HE3 TRP A 94 7.124 8.021 -3.984 1.00 65.32 H new ATOM 0 HZ2 TRP A 94 6.562 4.713 -0.295 1.00 20.44 H new ATOM 0 HZ3 TRP A 94 6.471 5.696 -4.457 1.00 15.22 H new ATOM 0 HH2 TRP A 94 6.198 4.064 -2.637 1.00 41.20 H new ATOM 1472 N GLY A 95 10.396 9.707 -0.515 1.00 31.34 N ATOM 1473 CA GLY A 95 11.452 9.703 0.511 1.00 12.43 C ATOM 1474 C GLY A 95 12.088 11.064 0.824 1.00 1.34 C ATOM 1475 O GLY A 95 13.315 11.176 0.865 1.00 43.33 O ATOM 0 H GLY A 95 9.645 9.041 -0.334 1.00 31.34 H new ATOM 0 HA2 GLY A 95 11.034 9.298 1.433 1.00 12.43 H new ATOM 0 HA3 GLY A 95 12.240 9.021 0.191 1.00 12.43 H new ATOM 1479 N THR A 96 11.276 12.101 1.062 1.00 31.41 N ATOM 1480 CA THR A 96 11.830 13.439 1.338 1.00 1.11 C ATOM 1481 C THR A 96 10.881 14.354 2.129 1.00 51.52 C ATOM 1482 O THR A 96 9.679 14.416 1.864 1.00 51.32 O ATOM 1483 CB THR A 96 12.231 14.177 0.033 1.00 40.41 C ATOM 1484 OG1 THR A 96 12.752 15.477 0.347 1.00 32.20 O ATOM 1485 CG2 THR A 96 11.045 14.319 -0.921 1.00 64.20 C ATOM 0 H THR A 96 10.257 12.047 1.070 1.00 31.41 H new ATOM 0 HA THR A 96 12.709 13.244 1.952 1.00 1.11 H new ATOM 0 HB THR A 96 12.996 13.581 -0.464 1.00 40.41 H new ATOM 0 HG1 THR A 96 13.005 15.937 -0.481 1.00 32.20 H new ATOM 0 HG21 THR A 96 11.364 14.841 -1.823 1.00 64.20 H new ATOM 0 HG22 THR A 96 10.671 13.330 -1.187 1.00 64.20 H new ATOM 0 HG23 THR A 96 10.253 14.888 -0.434 1.00 64.20 H new ATOM 1493 N GLY A 97 11.449 15.064 3.102 1.00 72.52 N ATOM 1494 CA GLY A 97 10.743 16.145 3.782 1.00 24.24 C ATOM 1495 C GLY A 97 9.632 15.708 4.735 1.00 5.35 C ATOM 1496 O GLY A 97 9.890 15.352 5.886 1.00 34.20 O ATOM 0 H GLY A 97 12.400 14.908 3.437 1.00 72.52 H new ATOM 0 HA2 GLY A 97 11.469 16.733 4.344 1.00 24.24 H new ATOM 0 HA3 GLY A 97 10.313 16.805 3.029 1.00 24.24 H new ATOM 1500 N GLU A 98 8.392 15.746 4.253 1.00 75.24 N ATOM 1501 CA GLU A 98 7.218 15.628 5.122 1.00 45.50 C ATOM 1502 C GLU A 98 6.830 14.168 5.417 1.00 64.14 C ATOM 1503 O GLU A 98 7.426 13.223 4.897 1.00 21.24 O ATOM 1504 CB GLU A 98 6.023 16.360 4.489 1.00 71.21 C ATOM 1505 CG GLU A 98 6.341 17.763 3.972 1.00 41.40 C ATOM 1506 CD GLU A 98 7.052 18.633 4.997 1.00 31.23 C ATOM 1507 OE1 GLU A 98 6.405 19.062 5.978 1.00 33.32 O ATOM 1508 OE2 GLU A 98 8.261 18.894 4.822 1.00 33.34 O ATOM 0 H GLU A 98 8.171 15.858 3.263 1.00 75.24 H new ATOM 0 HA GLU A 98 7.485 16.087 6.074 1.00 45.50 H new ATOM 0 HB2 GLU A 98 5.642 15.760 3.663 1.00 71.21 H new ATOM 0 HB3 GLU A 98 5.224 16.431 5.227 1.00 71.21 H new ATOM 0 HG2 GLU A 98 6.962 17.682 3.080 1.00 41.40 H new ATOM 0 HG3 GLU A 98 5.414 18.251 3.671 1.00 41.40 H new ATOM 1515 N ASP A 99 5.804 14.014 6.249 1.00 31.33 N ATOM 1516 CA ASP A 99 5.314 12.703 6.680 1.00 30.34 C ATOM 1517 C ASP A 99 4.509 11.989 5.582 1.00 74.13 C ATOM 1518 O ASP A 99 3.499 12.500 5.094 1.00 53.42 O ATOM 1519 CB ASP A 99 4.458 12.873 7.945 1.00 14.45 C ATOM 1520 CG ASP A 99 3.337 13.891 7.764 1.00 34.32 C ATOM 1521 OD1 ASP A 99 3.635 15.104 7.664 1.00 5.20 O ATOM 1522 OD2 ASP A 99 2.157 13.487 7.718 1.00 43.43 O ATOM 0 H ASP A 99 5.285 14.797 6.646 1.00 31.33 H new ATOM 0 HA ASP A 99 6.179 12.075 6.895 1.00 30.34 H new ATOM 0 HB2 ASP A 99 4.028 11.910 8.220 1.00 14.45 H new ATOM 0 HB3 ASP A 99 5.096 13.185 8.772 1.00 14.45 H new ATOM 1527 N VAL A 100 4.962 10.799 5.194 1.00 72.43 N ATOM 1528 CA VAL A 100 4.236 9.985 4.217 1.00 14.32 C ATOM 1529 C VAL A 100 3.081 9.217 4.889 1.00 32.11 C ATOM 1530 O VAL A 100 3.270 8.536 5.897 1.00 15.31 O ATOM 1531 CB VAL A 100 5.180 8.995 3.481 1.00 22.13 C ATOM 1532 CG1 VAL A 100 5.897 8.071 4.464 1.00 75.03 C ATOM 1533 CG2 VAL A 100 4.415 8.189 2.428 1.00 11.41 C ATOM 0 H VAL A 100 5.824 10.377 5.538 1.00 72.43 H new ATOM 0 HA VAL A 100 3.819 10.667 3.476 1.00 14.32 H new ATOM 0 HB VAL A 100 5.941 9.584 2.969 1.00 22.13 H new ATOM 0 HG11 VAL A 100 6.549 7.392 3.915 1.00 75.03 H new ATOM 0 HG12 VAL A 100 6.493 8.667 5.155 1.00 75.03 H new ATOM 0 HG13 VAL A 100 5.161 7.494 5.024 1.00 75.03 H new ATOM 0 HG21 VAL A 100 5.099 7.503 1.927 1.00 11.41 H new ATOM 0 HG22 VAL A 100 3.620 7.621 2.911 1.00 11.41 H new ATOM 0 HG23 VAL A 100 3.981 8.868 1.695 1.00 11.41 H new ATOM 1543 N LYS A 101 1.882 9.337 4.321 1.00 52.02 N ATOM 1544 CA LYS A 101 0.676 8.735 4.909 1.00 45.41 C ATOM 1545 C LYS A 101 -0.237 8.136 3.828 1.00 45.43 C ATOM 1546 O LYS A 101 -0.716 8.845 2.946 1.00 5.31 O ATOM 1547 CB LYS A 101 -0.074 9.796 5.726 1.00 60.11 C ATOM 1548 CG LYS A 101 -1.369 9.308 6.375 1.00 2.22 C ATOM 1549 CD LYS A 101 -1.943 10.352 7.335 1.00 42.32 C ATOM 1550 CE LYS A 101 -2.206 11.686 6.641 1.00 1.11 C ATOM 1551 NZ LYS A 101 -2.624 12.735 7.607 1.00 65.43 N ATOM 0 H LYS A 101 1.715 9.846 3.453 1.00 52.02 H new ATOM 0 HA LYS A 101 0.978 7.918 5.565 1.00 45.41 H new ATOM 0 HB2 LYS A 101 0.589 10.169 6.507 1.00 60.11 H new ATOM 0 HB3 LYS A 101 -0.306 10.639 5.075 1.00 60.11 H new ATOM 0 HG2 LYS A 101 -2.102 9.082 5.601 1.00 2.22 H new ATOM 0 HG3 LYS A 101 -1.179 8.381 6.915 1.00 2.22 H new ATOM 0 HD2 LYS A 101 -2.872 9.977 7.764 1.00 42.32 H new ATOM 0 HD3 LYS A 101 -1.249 10.504 8.162 1.00 42.32 H new ATOM 0 HE2 LYS A 101 -1.305 12.009 6.120 1.00 1.11 H new ATOM 0 HE3 LYS A 101 -2.981 11.557 5.886 1.00 1.11 H new ATOM 0 HZ1 LYS A 101 -2.794 13.627 7.099 1.00 65.43 H new ATOM 0 HZ2 LYS A 101 -3.498 12.438 8.086 1.00 65.43 H new ATOM 0 HZ3 LYS A 101 -1.873 12.876 8.313 1.00 65.43 H new ATOM 1565 N VAL A 102 -0.479 6.829 3.904 1.00 4.20 N ATOM 1566 CA VAL A 102 -1.257 6.117 2.878 1.00 44.05 C ATOM 1567 C VAL A 102 -2.748 6.014 3.236 1.00 35.34 C ATOM 1568 O VAL A 102 -3.110 5.728 4.380 1.00 21.00 O ATOM 1569 CB VAL A 102 -0.690 4.694 2.640 1.00 72.12 C ATOM 1570 CG1 VAL A 102 -1.531 3.924 1.621 1.00 61.34 C ATOM 1571 CG2 VAL A 102 0.762 4.771 2.187 1.00 64.35 C ATOM 0 H VAL A 102 -0.149 6.235 4.665 1.00 4.20 H new ATOM 0 HA VAL A 102 -1.168 6.706 1.965 1.00 44.05 H new ATOM 0 HB VAL A 102 -0.734 4.152 3.585 1.00 72.12 H new ATOM 0 HG11 VAL A 102 -1.107 2.930 1.476 1.00 61.34 H new ATOM 0 HG12 VAL A 102 -2.553 3.833 1.988 1.00 61.34 H new ATOM 0 HG13 VAL A 102 -1.533 4.460 0.672 1.00 61.34 H new ATOM 0 HG21 VAL A 102 1.146 3.764 2.024 1.00 64.35 H new ATOM 0 HG22 VAL A 102 0.824 5.338 1.258 1.00 64.35 H new ATOM 0 HG23 VAL A 102 1.357 5.266 2.954 1.00 64.35 H new ATOM 1581 N ILE A 103 -3.601 6.249 2.239 1.00 41.00 N ATOM 1582 CA ILE A 103 -5.059 6.153 2.394 1.00 32.03 C ATOM 1583 C ILE A 103 -5.621 4.943 1.613 1.00 5.03 C ATOM 1584 O ILE A 103 -5.279 4.745 0.446 1.00 34.23 O ATOM 1585 CB ILE A 103 -5.748 7.439 1.866 1.00 53.21 C ATOM 1586 CG1 ILE A 103 -5.128 8.705 2.491 1.00 21.42 C ATOM 1587 CG2 ILE A 103 -7.252 7.389 2.123 1.00 1.22 C ATOM 1588 CD1 ILE A 103 -5.256 8.786 3.997 1.00 14.22 C ATOM 0 H ILE A 103 -3.304 6.512 1.299 1.00 41.00 H new ATOM 0 HA ILE A 103 -5.265 6.028 3.457 1.00 32.03 H new ATOM 0 HB ILE A 103 -5.584 7.487 0.789 1.00 53.21 H new ATOM 0 HG12 ILE A 103 -4.072 8.746 2.226 1.00 21.42 H new ATOM 0 HG13 ILE A 103 -5.602 9.582 2.051 1.00 21.42 H new ATOM 0 HG21 ILE A 103 -7.716 8.300 1.745 1.00 1.22 H new ATOM 0 HG22 ILE A 103 -7.680 6.526 1.613 1.00 1.22 H new ATOM 0 HG23 ILE A 103 -7.435 7.306 3.194 1.00 1.22 H new ATOM 0 HD11 ILE A 103 -4.794 9.707 4.352 1.00 14.22 H new ATOM 0 HD12 ILE A 103 -6.310 8.779 4.273 1.00 14.22 H new ATOM 0 HD13 ILE A 103 -4.756 7.930 4.451 1.00 14.22 H new ATOM 1600 N LEU A 104 -6.482 4.139 2.249 1.00 13.42 N ATOM 1601 CA LEU A 104 -7.108 2.986 1.571 1.00 0.42 C ATOM 1602 C LEU A 104 -8.628 3.151 1.397 1.00 53.10 C ATOM 1603 O LEU A 104 -9.384 3.114 2.370 1.00 54.22 O ATOM 1604 CB LEU A 104 -6.834 1.684 2.339 1.00 60.15 C ATOM 1605 CG LEU A 104 -5.379 1.188 2.323 1.00 52.33 C ATOM 1606 CD1 LEU A 104 -5.267 -0.153 3.043 1.00 12.01 C ATOM 1607 CD2 LEU A 104 -4.849 1.078 0.892 1.00 34.54 C ATOM 0 H LEU A 104 -6.762 4.259 3.222 1.00 13.42 H new ATOM 0 HA LEU A 104 -6.656 2.939 0.580 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -7.138 1.826 3.376 1.00 60.15 H new ATOM 0 HB3 LEU A 104 -7.469 0.901 1.925 1.00 60.15 H new ATOM 0 HG LEU A 104 -4.766 1.919 2.850 1.00 52.33 H new ATOM 0 HD11 LEU A 104 -4.231 -0.491 3.023 1.00 12.01 H new ATOM 0 HD12 LEU A 104 -5.592 -0.039 4.077 1.00 12.01 H new ATOM 0 HD13 LEU A 104 -5.898 -0.888 2.543 1.00 12.01 H new ATOM 0 HD21 LEU A 104 -3.818 0.725 0.912 1.00 34.54 H new ATOM 0 HD22 LEU A 104 -5.463 0.374 0.330 1.00 34.54 H new ATOM 0 HD23 LEU A 104 -4.888 2.056 0.413 1.00 34.54 H new ATOM 1619 N LYS A 105 -9.067 3.317 0.149 1.00 2.25 N ATOM 1620 CA LYS A 105 -10.499 3.318 -0.188 1.00 20.12 C ATOM 1621 C LYS A 105 -10.879 2.041 -0.961 1.00 0.11 C ATOM 1622 O LYS A 105 -10.018 1.363 -1.518 1.00 61.13 O ATOM 1623 CB LYS A 105 -10.863 4.560 -1.015 1.00 71.04 C ATOM 1624 CG LYS A 105 -10.843 5.867 -0.220 1.00 54.52 C ATOM 1625 CD LYS A 105 -11.336 7.044 -1.060 1.00 44.21 C ATOM 1626 CE LYS A 105 -11.456 8.326 -0.240 1.00 24.55 C ATOM 1627 NZ LYS A 105 -10.149 8.765 0.316 1.00 61.21 N ATOM 0 H LYS A 105 -8.451 3.454 -0.652 1.00 2.25 H new ATOM 0 HA LYS A 105 -11.062 3.342 0.745 1.00 20.12 H new ATOM 0 HB2 LYS A 105 -10.167 4.644 -1.850 1.00 71.04 H new ATOM 0 HB3 LYS A 105 -11.857 4.421 -1.441 1.00 71.04 H new ATOM 0 HG2 LYS A 105 -11.469 5.764 0.666 1.00 54.52 H new ATOM 0 HG3 LYS A 105 -9.829 6.067 0.128 1.00 54.52 H new ATOM 0 HD2 LYS A 105 -10.649 7.209 -1.890 1.00 44.21 H new ATOM 0 HD3 LYS A 105 -12.306 6.799 -1.492 1.00 44.21 H new ATOM 0 HE2 LYS A 105 -11.866 9.118 -0.866 1.00 24.55 H new ATOM 0 HE3 LYS A 105 -12.161 8.168 0.576 1.00 24.55 H new ATOM 0 HZ1 LYS A 105 -9.991 9.766 0.082 1.00 61.21 H new ATOM 0 HZ2 LYS A 105 -10.154 8.647 1.349 1.00 61.21 H new ATOM 0 HZ3 LYS A 105 -9.386 8.189 -0.094 1.00 61.21 H new ATOM 1641 N ASN A 106 -12.171 1.716 -0.995 1.00 74.30 N ATOM 1642 CA ASN A 106 -12.650 0.494 -1.659 1.00 2.11 C ATOM 1643 C ASN A 106 -13.537 0.811 -2.871 1.00 21.54 C ATOM 1644 O ASN A 106 -14.723 1.091 -2.709 1.00 3.45 O ATOM 1645 CB ASN A 106 -13.448 -0.368 -0.676 1.00 43.12 C ATOM 1646 CG ASN A 106 -12.747 -0.537 0.652 1.00 14.03 C ATOM 1647 OD1 ASN A 106 -12.945 0.250 1.566 1.00 62.53 O ATOM 1648 ND2 ASN A 106 -11.924 -1.558 0.774 1.00 72.34 N ATOM 0 H ASN A 106 -12.909 2.279 -0.572 1.00 74.30 H new ATOM 0 HA ASN A 106 -11.769 -0.047 -2.005 1.00 2.11 H new ATOM 0 HB2 ASN A 106 -14.425 0.086 -0.511 1.00 43.12 H new ATOM 0 HB3 ASN A 106 -13.622 -1.349 -1.118 1.00 43.12 H new ATOM 0 HD21 ASN A 106 -11.428 -1.711 1.652 1.00 72.34 H new ATOM 0 HD22 ASN A 106 -11.782 -2.195 -0.010 1.00 72.34 H new ATOM 1655 N SER A 107 -12.945 0.783 -4.071 1.00 44.20 N ATOM 1656 CA SER A 107 -13.690 0.904 -5.347 1.00 40.24 C ATOM 1657 C SER A 107 -14.707 2.068 -5.373 1.00 71.34 C ATOM 1658 O SER A 107 -14.449 3.120 -5.962 1.00 1.11 O ATOM 1659 CB SER A 107 -14.415 -0.415 -5.668 1.00 73.34 C ATOM 1660 OG SER A 107 -15.224 -0.297 -6.829 1.00 1.52 O ATOM 0 H SER A 107 -11.938 0.676 -4.194 1.00 44.20 H new ATOM 0 HA SER A 107 -12.941 1.126 -6.107 1.00 40.24 H new ATOM 0 HB2 SER A 107 -13.682 -1.208 -5.814 1.00 73.34 H new ATOM 0 HB3 SER A 107 -15.035 -0.706 -4.820 1.00 73.34 H new ATOM 0 HG SER A 107 -15.669 -1.152 -7.006 1.00 1.52 H new ATOM 1666 N GLN A 108 -15.858 1.863 -4.725 1.00 34.43 N ATOM 1667 CA GLN A 108 -16.980 2.812 -4.759 1.00 72.43 C ATOM 1668 C GLN A 108 -16.616 4.185 -4.171 1.00 12.33 C ATOM 1669 O GLN A 108 -17.100 5.216 -4.638 1.00 44.41 O ATOM 1670 CB GLN A 108 -18.167 2.220 -3.988 1.00 34.01 C ATOM 1671 CG GLN A 108 -18.549 0.813 -4.443 1.00 22.14 C ATOM 1672 CD GLN A 108 -19.693 0.212 -3.644 1.00 21.13 C ATOM 1673 OE1 GLN A 108 -20.568 0.920 -3.159 1.00 3.40 O ATOM 1674 NE2 GLN A 108 -19.692 -1.098 -3.500 1.00 3.31 N ATOM 0 H GLN A 108 -16.040 1.033 -4.160 1.00 34.43 H new ATOM 0 HA GLN A 108 -17.241 2.971 -5.805 1.00 72.43 H new ATOM 0 HB2 GLN A 108 -17.924 2.196 -2.926 1.00 34.01 H new ATOM 0 HB3 GLN A 108 -19.029 2.877 -4.103 1.00 34.01 H new ATOM 0 HG2 GLN A 108 -18.827 0.842 -5.496 1.00 22.14 H new ATOM 0 HG3 GLN A 108 -17.678 0.163 -4.361 1.00 22.14 H new ATOM 0 HE21 GLN A 108 -18.948 -1.656 -3.918 1.00 3.31 H new ATOM 0 HE22 GLN A 108 -20.436 -1.553 -2.971 1.00 3.31 H new ATOM 1683 N GLY A 109 -15.778 4.198 -3.139 1.00 51.55 N ATOM 1684 CA GLY A 109 -15.381 5.461 -2.521 1.00 4.01 C ATOM 1685 C GLY A 109 -15.238 5.381 -1.006 1.00 1.30 C ATOM 1686 O GLY A 109 -14.524 6.186 -0.407 1.00 70.51 O ATOM 0 H GLY A 109 -15.366 3.365 -2.718 1.00 51.55 H new ATOM 0 HA2 GLY A 109 -14.433 5.784 -2.950 1.00 4.01 H new ATOM 0 HA3 GLY A 109 -16.119 6.224 -2.768 1.00 4.01 H new ATOM 1690 N GLU A 110 -15.924 4.426 -0.377 1.00 15.31 N ATOM 1691 CA GLU A 110 -15.811 4.227 1.074 1.00 0.55 C ATOM 1692 C GLU A 110 -14.361 3.926 1.485 1.00 41.50 C ATOM 1693 O GLU A 110 -13.589 3.360 0.711 1.00 33.44 O ATOM 1694 CB GLU A 110 -16.757 3.105 1.537 1.00 74.22 C ATOM 1695 CG GLU A 110 -16.617 1.800 0.760 1.00 75.42 C ATOM 1696 CD GLU A 110 -17.601 0.735 1.226 1.00 63.40 C ATOM 1697 OE1 GLU A 110 -18.811 1.039 1.313 1.00 11.35 O ATOM 1698 OE2 GLU A 110 -17.170 -0.399 1.517 1.00 41.42 O ATOM 0 H GLU A 110 -16.561 3.780 -0.843 1.00 15.31 H new ATOM 0 HA GLU A 110 -16.107 5.154 1.566 1.00 0.55 H new ATOM 0 HB2 GLU A 110 -16.575 2.906 2.593 1.00 74.22 H new ATOM 0 HB3 GLU A 110 -17.786 3.456 1.452 1.00 74.22 H new ATOM 0 HG2 GLU A 110 -16.773 1.994 -0.301 1.00 75.42 H new ATOM 0 HG3 GLU A 110 -15.600 1.423 0.869 1.00 75.42 H new ATOM 1705 N GLU A 111 -13.995 4.320 2.701 1.00 72.44 N ATOM 1706 CA GLU A 111 -12.601 4.243 3.158 1.00 63.55 C ATOM 1707 C GLU A 111 -12.462 3.360 4.411 1.00 31.01 C ATOM 1708 O GLU A 111 -13.278 3.446 5.332 1.00 40.14 O ATOM 1709 CB GLU A 111 -12.094 5.664 3.446 1.00 64.30 C ATOM 1710 CG GLU A 111 -10.605 5.757 3.755 1.00 2.13 C ATOM 1711 CD GLU A 111 -10.156 7.191 3.967 1.00 73.22 C ATOM 1712 OE1 GLU A 111 -10.200 7.982 2.999 1.00 32.23 O ATOM 1713 OE2 GLU A 111 -9.767 7.540 5.105 1.00 1.31 O ATOM 0 H GLU A 111 -14.642 4.698 3.393 1.00 72.44 H new ATOM 0 HA GLU A 111 -12.000 3.784 2.373 1.00 63.55 H new ATOM 0 HB2 GLU A 111 -12.313 6.295 2.585 1.00 64.30 H new ATOM 0 HB3 GLU A 111 -12.653 6.071 4.289 1.00 64.30 H new ATOM 0 HG2 GLU A 111 -10.383 5.172 4.648 1.00 2.13 H new ATOM 0 HG3 GLU A 111 -10.037 5.317 2.936 1.00 2.13 H new ATOM 1720 N VAL A 112 -11.423 2.520 4.444 1.00 11.44 N ATOM 1721 CA VAL A 112 -11.197 1.605 5.577 1.00 64.04 C ATOM 1722 C VAL A 112 -10.151 2.151 6.565 1.00 45.42 C ATOM 1723 O VAL A 112 -10.482 2.500 7.702 1.00 53.41 O ATOM 1724 CB VAL A 112 -10.749 0.196 5.100 1.00 14.24 C ATOM 1725 CG1 VAL A 112 -10.419 -0.713 6.287 1.00 60.45 C ATOM 1726 CG2 VAL A 112 -11.822 -0.442 4.228 1.00 13.51 C ATOM 0 H VAL A 112 -10.725 2.451 3.704 1.00 11.44 H new ATOM 0 HA VAL A 112 -12.156 1.524 6.088 1.00 64.04 H new ATOM 0 HB VAL A 112 -9.843 0.319 4.506 1.00 14.24 H new ATOM 0 HG11 VAL A 112 -10.109 -1.692 5.921 1.00 60.45 H new ATOM 0 HG12 VAL A 112 -9.611 -0.271 6.870 1.00 60.45 H new ATOM 0 HG13 VAL A 112 -11.302 -0.824 6.916 1.00 60.45 H new ATOM 0 HG21 VAL A 112 -11.489 -1.428 3.904 1.00 13.51 H new ATOM 0 HG22 VAL A 112 -12.745 -0.540 4.800 1.00 13.51 H new ATOM 0 HG23 VAL A 112 -12.002 0.185 3.355 1.00 13.51 H new ATOM 1736 N ALA A 113 -8.892 2.222 6.133 1.00 25.04 N ATOM 1737 CA ALA A 113 -7.789 2.569 7.038 1.00 74.04 C ATOM 1738 C ALA A 113 -6.775 3.535 6.408 1.00 75.25 C ATOM 1739 O ALA A 113 -6.720 3.706 5.189 1.00 53.15 O ATOM 1740 CB ALA A 113 -7.081 1.296 7.494 1.00 2.15 C ATOM 0 H ALA A 113 -8.608 2.046 5.169 1.00 25.04 H new ATOM 0 HA ALA A 113 -8.226 3.087 7.892 1.00 74.04 H new ATOM 0 HB1 ALA A 113 -6.263 1.555 8.166 1.00 2.15 H new ATOM 0 HB2 ALA A 113 -7.789 0.653 8.017 1.00 2.15 H new ATOM 0 HB3 ALA A 113 -6.685 0.769 6.626 1.00 2.15 H new ATOM 1746 N GLN A 114 -5.974 4.155 7.270 1.00 32.25 N ATOM 1747 CA GLN A 114 -4.901 5.062 6.852 1.00 52.33 C ATOM 1748 C GLN A 114 -3.778 5.072 7.903 1.00 24.03 C ATOM 1749 O GLN A 114 -4.044 4.975 9.102 1.00 32.42 O ATOM 1750 CB GLN A 114 -5.460 6.479 6.643 1.00 14.12 C ATOM 1751 CG GLN A 114 -6.023 7.124 7.908 1.00 31.15 C ATOM 1752 CD GLN A 114 -6.706 8.460 7.648 1.00 13.00 C ATOM 1753 OE1 GLN A 114 -6.669 9.362 8.477 1.00 2.44 O ATOM 1754 NE2 GLN A 114 -7.361 8.591 6.510 1.00 3.42 N ATOM 0 H GLN A 114 -6.048 4.045 8.281 1.00 32.25 H new ATOM 0 HA GLN A 114 -4.486 4.711 5.907 1.00 52.33 H new ATOM 0 HB2 GLN A 114 -4.668 7.115 6.246 1.00 14.12 H new ATOM 0 HB3 GLN A 114 -6.246 6.440 5.888 1.00 14.12 H new ATOM 0 HG2 GLN A 114 -6.737 6.442 8.369 1.00 31.15 H new ATOM 0 HG3 GLN A 114 -5.214 7.270 8.624 1.00 31.15 H new ATOM 0 HE21 GLN A 114 -7.375 7.824 5.838 1.00 3.42 H new ATOM 0 HE22 GLN A 114 -7.853 9.460 6.302 1.00 3.42 H new ATOM 1763 N ARG A 115 -2.525 5.174 7.462 1.00 43.10 N ATOM 1764 CA ARG A 115 -1.388 5.123 8.395 1.00 42.22 C ATOM 1765 C ARG A 115 -0.156 5.877 7.864 1.00 54.13 C ATOM 1766 O ARG A 115 0.137 5.858 6.666 1.00 61.30 O ATOM 1767 CB ARG A 115 -1.016 3.660 8.695 1.00 12.01 C ATOM 1768 CG ARG A 115 0.170 3.503 9.645 1.00 13.33 C ATOM 1769 CD ARG A 115 0.431 2.043 10.000 1.00 4.33 C ATOM 1770 NE ARG A 115 1.593 1.888 10.878 1.00 25.13 N ATOM 1771 CZ ARG A 115 1.721 0.941 11.771 1.00 22.04 C ATOM 1772 NH1 ARG A 115 0.780 0.074 11.963 1.00 42.21 N ATOM 1773 NH2 ARG A 115 2.803 0.857 12.468 1.00 3.05 N ATOM 0 H ARG A 115 -2.268 5.291 6.482 1.00 43.10 H new ATOM 0 HA ARG A 115 -1.703 5.621 9.312 1.00 42.22 H new ATOM 0 HB2 ARG A 115 -1.882 3.156 9.125 1.00 12.01 H new ATOM 0 HB3 ARG A 115 -0.786 3.154 7.757 1.00 12.01 H new ATOM 0 HG2 ARG A 115 1.062 3.929 9.185 1.00 13.33 H new ATOM 0 HG3 ARG A 115 -0.019 4.069 10.557 1.00 13.33 H new ATOM 0 HD2 ARG A 115 -0.450 1.626 10.488 1.00 4.33 H new ATOM 0 HD3 ARG A 115 0.589 1.471 9.086 1.00 4.33 H new ATOM 0 HE ARG A 115 2.352 2.563 10.787 1.00 25.13 H new ATOM 0 HH11 ARG A 115 -0.078 0.123 11.414 1.00 42.21 H new ATOM 0 HH12 ARG A 115 0.896 -0.658 12.664 1.00 42.21 H new ATOM 0 HH21 ARG A 115 3.557 1.528 12.322 1.00 3.05 H new ATOM 0 HH22 ARG A 115 2.905 0.119 13.165 1.00 3.05 H new ATOM 1787 N SER A 116 0.554 6.536 8.781 1.00 21.32 N ATOM 1788 CA SER A 116 1.812 7.234 8.475 1.00 5.31 C ATOM 1789 C SER A 116 3.006 6.530 9.147 1.00 65.14 C ATOM 1790 O SER A 116 2.849 5.466 9.746 1.00 12.41 O ATOM 1791 CB SER A 116 1.730 8.690 8.959 1.00 43.42 C ATOM 1792 OG SER A 116 1.368 8.747 10.331 1.00 64.20 O ATOM 0 H SER A 116 0.276 6.603 9.760 1.00 21.32 H new ATOM 0 HA SER A 116 1.962 7.216 7.396 1.00 5.31 H new ATOM 0 HB2 SER A 116 2.692 9.181 8.812 1.00 43.42 H new ATOM 0 HB3 SER A 116 0.999 9.235 8.363 1.00 43.42 H new ATOM 0 HG SER A 116 1.323 9.683 10.619 1.00 64.20 H new ATOM 1798 N THR A 117 4.196 7.124 9.039 1.00 60.33 N ATOM 1799 CA THR A 117 5.413 6.555 9.654 1.00 4.21 C ATOM 1800 C THR A 117 6.088 7.535 10.628 1.00 70.02 C ATOM 1801 O THR A 117 5.600 8.642 10.862 1.00 71.24 O ATOM 1802 CB THR A 117 6.449 6.139 8.583 1.00 30.10 C ATOM 1803 OG1 THR A 117 6.789 7.263 7.758 1.00 52.22 O ATOM 1804 CG2 THR A 117 5.915 5.008 7.714 1.00 52.44 C ATOM 0 H THR A 117 4.350 7.997 8.534 1.00 60.33 H new ATOM 0 HA THR A 117 5.081 5.677 10.208 1.00 4.21 H new ATOM 0 HB THR A 117 7.342 5.786 9.099 1.00 30.10 H new ATOM 0 HG1 THR A 117 7.446 6.988 7.085 1.00 52.22 H new ATOM 0 HG21 THR A 117 6.664 4.736 6.970 1.00 52.44 H new ATOM 0 HG22 THR A 117 5.693 4.143 8.339 1.00 52.44 H new ATOM 0 HG23 THR A 117 5.005 5.335 7.210 1.00 52.44 H new ATOM 1812 N VAL A 118 7.217 7.109 11.198 1.00 22.41 N ATOM 1813 CA VAL A 118 7.984 7.937 12.140 1.00 10.33 C ATOM 1814 C VAL A 118 8.823 8.996 11.400 1.00 33.21 C ATOM 1815 O VAL A 118 9.281 8.764 10.282 1.00 51.53 O ATOM 1816 CB VAL A 118 8.920 7.049 13.001 1.00 54.25 C ATOM 1817 CG1 VAL A 118 9.675 7.876 14.041 1.00 73.03 C ATOM 1818 CG2 VAL A 118 8.127 5.927 13.669 1.00 22.30 C ATOM 0 H VAL A 118 7.625 6.190 11.024 1.00 22.41 H new ATOM 0 HA VAL A 118 7.270 8.448 12.785 1.00 10.33 H new ATOM 0 HB VAL A 118 9.661 6.602 12.338 1.00 54.25 H new ATOM 0 HG11 VAL A 118 10.321 7.222 14.626 1.00 73.03 H new ATOM 0 HG12 VAL A 118 10.281 8.629 13.537 1.00 73.03 H new ATOM 0 HG13 VAL A 118 8.962 8.368 14.702 1.00 73.03 H new ATOM 0 HG21 VAL A 118 8.799 5.314 14.269 1.00 22.30 H new ATOM 0 HG22 VAL A 118 7.358 6.357 14.311 1.00 22.30 H new ATOM 0 HG23 VAL A 118 7.657 5.308 12.904 1.00 22.30 H new ATOM 1828 N PHE A 119 9.028 10.157 12.027 1.00 60.51 N ATOM 1829 CA PHE A 119 9.807 11.247 11.412 1.00 5.10 C ATOM 1830 C PHE A 119 11.328 11.001 11.494 1.00 63.55 C ATOM 1831 O PHE A 119 11.869 10.747 12.572 1.00 4.20 O ATOM 1832 CB PHE A 119 9.465 12.584 12.086 1.00 52.02 C ATOM 1833 CG PHE A 119 8.046 13.042 11.851 1.00 40.22 C ATOM 1834 CD1 PHE A 119 7.015 12.621 12.681 1.00 64.31 C ATOM 1835 CD2 PHE A 119 7.745 13.897 10.799 1.00 62.31 C ATOM 1836 CE1 PHE A 119 5.717 13.044 12.467 1.00 2.34 C ATOM 1837 CE2 PHE A 119 6.448 14.321 10.582 1.00 2.43 C ATOM 1838 CZ PHE A 119 5.433 13.894 11.416 1.00 53.43 C ATOM 0 H PHE A 119 8.669 10.371 12.957 1.00 60.51 H new ATOM 0 HA PHE A 119 9.535 11.280 10.357 1.00 5.10 H new ATOM 0 HB2 PHE A 119 9.634 12.492 13.159 1.00 52.02 H new ATOM 0 HB3 PHE A 119 10.149 13.350 11.720 1.00 52.02 H new ATOM 0 HD1 PHE A 119 7.230 11.955 13.504 1.00 64.31 H new ATOM 0 HD2 PHE A 119 8.534 14.234 10.143 1.00 62.31 H new ATOM 0 HE1 PHE A 119 4.925 12.710 13.121 1.00 2.34 H new ATOM 0 HE2 PHE A 119 6.228 14.986 9.760 1.00 2.43 H new ATOM 0 HZ PHE A 119 4.419 14.224 11.247 1.00 53.43 H new ATOM 1848 N LYS A 120 12.011 11.071 10.346 1.00 22.15 N ATOM 1849 CA LYS A 120 13.480 10.963 10.293 1.00 31.43 C ATOM 1850 C LYS A 120 14.118 12.323 9.970 1.00 64.22 C ATOM 1851 O LYS A 120 13.682 13.019 9.050 1.00 13.02 O ATOM 1852 CB LYS A 120 13.924 9.934 9.236 1.00 51.32 C ATOM 1853 CG LYS A 120 13.672 8.472 9.612 1.00 1.20 C ATOM 1854 CD LYS A 120 12.186 8.124 9.639 1.00 63.32 C ATOM 1855 CE LYS A 120 11.948 6.662 10.005 1.00 20.54 C ATOM 1856 NZ LYS A 120 12.540 6.315 11.325 1.00 51.31 N ATOM 0 H LYS A 120 11.571 11.203 9.435 1.00 22.15 H new ATOM 0 HA LYS A 120 13.815 10.631 11.276 1.00 31.43 H new ATOM 0 HB2 LYS A 120 13.405 10.148 8.302 1.00 51.32 H new ATOM 0 HB3 LYS A 120 14.989 10.067 9.046 1.00 51.32 H new ATOM 0 HG2 LYS A 120 14.181 7.824 8.899 1.00 1.20 H new ATOM 0 HG3 LYS A 120 14.107 8.272 10.591 1.00 1.20 H new ATOM 0 HD2 LYS A 120 11.676 8.765 10.358 1.00 63.32 H new ATOM 0 HD3 LYS A 120 11.748 8.329 8.662 1.00 63.32 H new ATOM 0 HE2 LYS A 120 10.877 6.463 10.024 1.00 20.54 H new ATOM 0 HE3 LYS A 120 12.377 6.021 9.235 1.00 20.54 H new ATOM 0 HZ1 LYS A 120 12.175 5.393 11.637 1.00 51.31 H new ATOM 0 HZ2 LYS A 120 13.575 6.267 11.239 1.00 51.31 H new ATOM 0 HZ3 LYS A 120 12.284 7.043 12.022 1.00 51.31 H new ATOM 1870 N THR A 121 15.156 12.694 10.718 1.00 2.23 N ATOM 1871 CA THR A 121 15.847 13.974 10.503 1.00 31.54 C ATOM 1872 C THR A 121 16.776 13.908 9.281 1.00 74.43 C ATOM 1873 O THR A 121 17.975 13.649 9.405 1.00 12.53 O ATOM 1874 CB THR A 121 16.665 14.395 11.751 1.00 20.14 C ATOM 1875 OG1 THR A 121 15.821 14.404 12.919 1.00 12.43 O ATOM 1876 CG2 THR A 121 17.291 15.777 11.562 1.00 53.41 C ATOM 0 H THR A 121 15.540 12.131 11.477 1.00 2.23 H new ATOM 0 HA THR A 121 15.075 14.722 10.321 1.00 31.54 H new ATOM 0 HB THR A 121 17.466 13.668 11.885 1.00 20.14 H new ATOM 0 HG1 THR A 121 16.348 14.670 13.701 1.00 12.43 H new ATOM 0 HG21 THR A 121 17.858 16.045 12.454 1.00 53.41 H new ATOM 0 HG22 THR A 121 17.957 15.760 10.700 1.00 53.41 H new ATOM 0 HG23 THR A 121 16.504 16.513 11.398 1.00 53.41 H new ATOM 1884 N THR A 122 16.203 14.122 8.097 1.00 2.12 N ATOM 1885 CA THR A 122 16.960 14.043 6.833 1.00 73.25 C ATOM 1886 C THR A 122 16.155 14.596 5.643 1.00 41.00 C ATOM 1887 O THR A 122 16.471 15.712 5.172 1.00 38.14 O ATOM 1888 CB THR A 122 17.419 12.588 6.525 1.00 12.12 C ATOM 1889 OG1 THR A 122 17.891 12.486 5.170 1.00 32.51 O ATOM 1890 CG2 THR A 122 16.300 11.570 6.769 1.00 41.31 C ATOM 1891 OXT THR A 122 15.193 13.927 5.195 1.00 38.14 O ATOM 0 H THR A 122 15.216 14.352 7.979 1.00 2.12 H new ATOM 0 HA THR A 122 17.844 14.666 6.969 1.00 73.25 H new ATOM 0 HB THR A 122 18.235 12.354 7.209 1.00 12.12 H new ATOM 0 HG1 THR A 122 18.177 11.566 4.992 1.00 32.51 H new ATOM 0 HG21 THR A 122 16.664 10.568 6.542 1.00 41.31 H new ATOM 0 HG22 THR A 122 15.988 11.615 7.813 1.00 41.31 H new ATOM 0 HG23 THR A 122 15.451 11.802 6.127 1.00 41.31 H new TER 1899 THR A 122