USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 994 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 LYS NZ :NH3+ -126:sc= 0.119 (180deg=-2.14!) USER MOD Set 1.2: A 107 GLN : amide:sc= -0.2 K(o=-0.081,f=-3.5) USER MOD Set 2.1: A 45 MET CE :methyl -108:sc= -0.36 (180deg=-1.24!) USER MOD Set 2.2: A 90 TYR OH : rot -174:sc= 0.386 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.356 USER MOD Set 3.2: A 18 THR OG1 : rot -70:sc= 0.387 USER MOD Set 4.1: A 9 GLN : amide:sc= 0.133 K(o=0.13,f=-3.1) USER MOD Set 4.2: A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0754 (180deg=-0.424) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 177:sc= -0.0131 (180deg=-0.0457) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 80:sc= 0.0548 USER MOD Single : A 24 GLN : amide:sc= -0.9 X(o=-0.9,f=-0.45) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0266 (180deg=-0.253) USER MOD Single : A 38 LYS NZ :NH3+ 133:sc=-0.00732 (180deg=-0.95) USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= -0.379 (180deg=-1.68!) USER MOD Single : A 42 ASN : amide:sc= -0.835 K(o=-0.84,f=-0.029) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0574 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc=-0.00139 X(o=-0.0014,f=-0.29) USER MOD Single : A 65 SER OG : rot 121:sc= -0.0811 USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00987) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 0.417 (180deg=0.34) USER MOD Single : A 82 ASN : amide:sc= 0.325 X(o=0.33,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.045) USER MOD Single : A 91 ASN : amide:sc= -1.78! K(o=-1.8!,f=-0.051) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.145 K(o=0.14,f=-2.1!) USER MOD Single : A 96 THR OG1 : rot 84:sc= 0.0182 USER MOD Single : A 101 THR OG1 : rot 66:sc= 0.232 USER MOD Single : A 103 THR OG1 : rot 113:sc= 0.303 USER MOD Single : A 115 HIS : no HE2:sc= -0.113 K(o=-0.11,f=-1.5) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HE2:sc= -0.585 X(o=-0.58,f=-0.83) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.432 -7.209 -2.642 1.00 61.32 N ATOM 2 CA MET A 1 23.124 -7.845 -2.393 1.00 62.45 C ATOM 3 C MET A 1 22.135 -6.788 -1.876 1.00 34.01 C ATOM 4 O MET A 1 21.870 -6.679 -0.667 1.00 64.30 O ATOM 5 CB MET A 1 23.268 -9.048 -1.410 1.00 42.32 C ATOM 6 CG MET A 1 21.987 -9.885 -1.210 1.00 22.33 C ATOM 7 SD MET A 1 22.221 -11.322 -0.134 1.00 43.01 S ATOM 8 CE MET A 1 23.422 -12.299 -1.046 1.00 4.53 C ATOM 0 H1 MET A 1 25.104 -7.922 -2.992 1.00 61.32 H new ATOM 0 H2 MET A 1 24.323 -6.458 -3.353 1.00 61.32 H new ATOM 0 H3 MET A 1 24.793 -6.799 -1.757 1.00 61.32 H new ATOM 0 HA MET A 1 22.732 -8.251 -3.325 1.00 62.45 H new ATOM 0 HB2 MET A 1 24.059 -9.703 -1.775 1.00 42.32 H new ATOM 0 HB3 MET A 1 23.591 -8.669 -0.441 1.00 42.32 H new ATOM 0 HG2 MET A 1 21.209 -9.248 -0.788 1.00 22.33 H new ATOM 0 HG3 MET A 1 21.629 -10.224 -2.182 1.00 22.33 H new ATOM 0 HE1 MET A 1 23.426 -13.320 -0.664 1.00 4.53 H new ATOM 0 HE2 MET A 1 23.156 -12.308 -2.103 1.00 4.53 H new ATOM 0 HE3 MET A 1 24.413 -11.862 -0.925 1.00 4.53 H new ATOM 20 N SER A 2 21.665 -5.946 -2.810 1.00 63.31 N ATOM 21 CA SER A 2 20.613 -4.965 -2.553 1.00 73.54 C ATOM 22 C SER A 2 19.269 -5.697 -2.665 1.00 24.11 C ATOM 23 O SER A 2 18.854 -6.079 -3.761 1.00 63.43 O ATOM 24 CB SER A 2 20.715 -3.792 -3.559 1.00 34.22 C ATOM 25 OG SER A 2 19.787 -2.768 -3.258 1.00 53.32 O ATOM 0 H SER A 2 22.010 -5.931 -3.770 1.00 63.31 H new ATOM 0 HA SER A 2 20.713 -4.532 -1.558 1.00 73.54 H new ATOM 0 HB2 SER A 2 21.726 -3.384 -3.543 1.00 34.22 H new ATOM 0 HB3 SER A 2 20.536 -4.161 -4.569 1.00 34.22 H new ATOM 0 HG SER A 2 19.878 -2.042 -3.910 1.00 53.32 H new ATOM 31 N GLY A 3 18.653 -5.954 -1.510 1.00 41.04 N ATOM 32 CA GLY A 3 17.420 -6.720 -1.426 1.00 41.33 C ATOM 33 C GLY A 3 16.954 -6.804 0.014 1.00 2.51 C ATOM 34 O GLY A 3 17.385 -7.693 0.754 1.00 41.30 O ATOM 0 H GLY A 3 19.001 -5.633 -0.606 1.00 41.04 H new ATOM 0 HA2 GLY A 3 16.650 -6.252 -2.039 1.00 41.33 H new ATOM 0 HA3 GLY A 3 17.578 -7.722 -1.824 1.00 41.33 H new ATOM 38 N LYS A 4 16.128 -5.840 0.430 1.00 62.43 N ATOM 39 CA LYS A 4 15.609 -5.755 1.805 1.00 21.44 C ATOM 40 C LYS A 4 14.207 -6.370 1.867 1.00 20.25 C ATOM 41 O LYS A 4 13.429 -6.254 0.908 1.00 33.51 O ATOM 42 CB LYS A 4 15.556 -4.266 2.263 1.00 42.31 C ATOM 43 CG LYS A 4 15.146 -4.007 3.749 1.00 72.15 C ATOM 44 CD LYS A 4 16.314 -4.087 4.781 1.00 60.11 C ATOM 45 CE LYS A 4 16.810 -5.510 5.094 1.00 73.25 C ATOM 46 NZ LYS A 4 17.833 -5.520 6.181 1.00 65.02 N ATOM 0 H LYS A 4 15.797 -5.091 -0.178 1.00 62.43 H new ATOM 0 HA LYS A 4 16.272 -6.306 2.472 1.00 21.44 H new ATOM 0 HB2 LYS A 4 16.538 -3.823 2.098 1.00 42.31 H new ATOM 0 HB3 LYS A 4 14.855 -3.736 1.618 1.00 42.31 H new ATOM 0 HG2 LYS A 4 14.689 -3.020 3.817 1.00 72.15 H new ATOM 0 HG3 LYS A 4 14.382 -4.732 4.031 1.00 72.15 H new ATOM 0 HD2 LYS A 4 17.152 -3.501 4.404 1.00 60.11 H new ATOM 0 HD3 LYS A 4 15.990 -3.619 5.711 1.00 60.11 H new ATOM 0 HE2 LYS A 4 15.964 -6.132 5.387 1.00 73.25 H new ATOM 0 HE3 LYS A 4 17.235 -5.952 4.193 1.00 73.25 H new ATOM 0 HZ1 LYS A 4 18.140 -6.497 6.360 1.00 65.02 H new ATOM 0 HZ2 LYS A 4 18.652 -4.947 5.892 1.00 65.02 H new ATOM 0 HZ3 LYS A 4 17.421 -5.122 7.049 1.00 65.02 H new ATOM 60 N LYS A 5 13.900 -7.057 2.978 1.00 24.31 N ATOM 61 CA LYS A 5 12.526 -7.427 3.305 1.00 41.11 C ATOM 62 C LYS A 5 11.865 -6.238 4.003 1.00 33.01 C ATOM 63 O LYS A 5 12.309 -5.818 5.076 1.00 61.40 O ATOM 64 CB LYS A 5 12.463 -8.676 4.217 1.00 23.10 C ATOM 65 CG LYS A 5 11.017 -9.096 4.594 1.00 51.02 C ATOM 66 CD LYS A 5 10.957 -10.267 5.592 1.00 11.24 C ATOM 67 CE LYS A 5 11.639 -9.963 6.939 1.00 71.54 C ATOM 68 NZ LYS A 5 11.048 -8.772 7.604 1.00 54.43 N ATOM 0 H LYS A 5 14.591 -7.365 3.662 1.00 24.31 H new ATOM 0 HA LYS A 5 12.001 -7.678 2.383 1.00 41.11 H new ATOM 0 HB2 LYS A 5 12.955 -9.508 3.714 1.00 23.10 H new ATOM 0 HB3 LYS A 5 13.025 -8.478 5.130 1.00 23.10 H new ATOM 0 HG2 LYS A 5 10.498 -8.238 5.021 1.00 51.02 H new ATOM 0 HG3 LYS A 5 10.480 -9.374 3.687 1.00 51.02 H new ATOM 0 HD2 LYS A 5 9.914 -10.527 5.773 1.00 11.24 H new ATOM 0 HD3 LYS A 5 11.430 -11.141 5.143 1.00 11.24 H new ATOM 0 HE2 LYS A 5 11.547 -10.828 7.596 1.00 71.54 H new ATOM 0 HE3 LYS A 5 12.704 -9.797 6.777 1.00 71.54 H new ATOM 0 HZ1 LYS A 5 11.500 -8.631 8.530 1.00 54.43 H new ATOM 0 HZ2 LYS A 5 11.203 -7.931 7.012 1.00 54.43 H new ATOM 0 HZ3 LYS A 5 10.027 -8.919 7.736 1.00 54.43 H new ATOM 82 N VAL A 6 10.853 -5.668 3.355 1.00 45.21 N ATOM 83 CA VAL A 6 9.980 -4.647 3.948 1.00 53.45 C ATOM 84 C VAL A 6 8.685 -5.365 4.346 1.00 64.32 C ATOM 85 O VAL A 6 8.356 -6.405 3.768 1.00 54.13 O ATOM 86 CB VAL A 6 9.699 -3.434 2.956 1.00 10.33 C ATOM 87 CG1 VAL A 6 10.914 -3.170 2.046 1.00 63.44 C ATOM 88 CG2 VAL A 6 8.404 -3.610 2.121 1.00 21.31 C ATOM 0 H VAL A 6 10.609 -5.901 2.392 1.00 45.21 H new ATOM 0 HA VAL A 6 10.462 -4.194 4.814 1.00 53.45 H new ATOM 0 HB VAL A 6 9.537 -2.559 3.585 1.00 10.33 H new ATOM 0 HG11 VAL A 6 10.695 -2.337 1.379 1.00 63.44 H new ATOM 0 HG12 VAL A 6 11.781 -2.925 2.659 1.00 63.44 H new ATOM 0 HG13 VAL A 6 11.127 -4.061 1.456 1.00 63.44 H new ATOM 0 HG21 VAL A 6 8.273 -2.748 1.467 1.00 21.31 H new ATOM 0 HG22 VAL A 6 8.480 -4.515 1.518 1.00 21.31 H new ATOM 0 HG23 VAL A 6 7.548 -3.691 2.790 1.00 21.31 H new ATOM 98 N GLU A 7 7.982 -4.864 5.353 1.00 32.24 N ATOM 99 CA GLU A 7 6.679 -5.424 5.748 1.00 24.44 C ATOM 100 C GLU A 7 5.592 -4.342 5.621 1.00 34.24 C ATOM 101 O GLU A 7 5.595 -3.336 6.331 1.00 1.01 O ATOM 102 CB GLU A 7 6.773 -6.020 7.171 1.00 22.44 C ATOM 103 CG GLU A 7 7.888 -7.083 7.317 1.00 73.12 C ATOM 104 CD GLU A 7 8.194 -7.487 8.766 1.00 55.24 C ATOM 105 OE1 GLU A 7 8.392 -6.593 9.610 1.00 45.20 O ATOM 106 OE2 GLU A 7 8.311 -8.701 9.044 1.00 4.21 O ATOM 0 H GLU A 7 8.285 -4.070 5.917 1.00 32.24 H new ATOM 0 HA GLU A 7 6.399 -6.240 5.082 1.00 24.44 H new ATOM 0 HB2 GLU A 7 6.953 -5.215 7.883 1.00 22.44 H new ATOM 0 HB3 GLU A 7 5.815 -6.470 7.433 1.00 22.44 H new ATOM 0 HG2 GLU A 7 7.600 -7.973 6.758 1.00 73.12 H new ATOM 0 HG3 GLU A 7 8.800 -6.700 6.859 1.00 73.12 H new ATOM 113 N VAL A 8 4.668 -4.588 4.690 1.00 55.44 N ATOM 114 CA VAL A 8 3.599 -3.662 4.296 1.00 1.12 C ATOM 115 C VAL A 8 2.309 -4.021 5.064 1.00 25.55 C ATOM 116 O VAL A 8 1.740 -5.091 4.867 1.00 54.31 O ATOM 117 CB VAL A 8 3.384 -3.740 2.729 1.00 2.01 C ATOM 118 CG1 VAL A 8 2.136 -2.962 2.257 1.00 42.01 C ATOM 119 CG2 VAL A 8 4.651 -3.239 1.987 1.00 30.23 C ATOM 0 H VAL A 8 4.641 -5.466 4.171 1.00 55.44 H new ATOM 0 HA VAL A 8 3.872 -2.637 4.547 1.00 1.12 H new ATOM 0 HB VAL A 8 3.211 -4.788 2.483 1.00 2.01 H new ATOM 0 HG11 VAL A 8 2.039 -3.051 1.175 1.00 42.01 H new ATOM 0 HG12 VAL A 8 1.248 -3.374 2.736 1.00 42.01 H new ATOM 0 HG13 VAL A 8 2.239 -1.911 2.527 1.00 42.01 H new ATOM 0 HG21 VAL A 8 4.490 -3.298 0.911 1.00 30.23 H new ATOM 0 HG22 VAL A 8 4.852 -2.205 2.268 1.00 30.23 H new ATOM 0 HG23 VAL A 8 5.503 -3.861 2.261 1.00 30.23 H new ATOM 129 N GLN A 9 1.882 -3.112 5.954 1.00 24.13 N ATOM 130 CA GLN A 9 0.699 -3.288 6.809 1.00 44.54 C ATOM 131 C GLN A 9 -0.486 -2.578 6.141 1.00 24.01 C ATOM 132 O GLN A 9 -0.566 -1.352 6.175 1.00 55.52 O ATOM 133 CB GLN A 9 0.960 -2.684 8.223 1.00 32.43 C ATOM 134 CG GLN A 9 2.172 -3.281 8.967 1.00 1.31 C ATOM 135 CD GLN A 9 2.427 -2.639 10.339 1.00 45.00 C ATOM 136 OE1 GLN A 9 2.138 -1.460 10.558 1.00 11.23 O ATOM 137 NE2 GLN A 9 2.981 -3.399 11.270 1.00 41.23 N ATOM 0 H GLN A 9 2.356 -2.221 6.102 1.00 24.13 H new ATOM 0 HA GLN A 9 0.480 -4.349 6.930 1.00 44.54 H new ATOM 0 HB2 GLN A 9 1.107 -1.609 8.122 1.00 32.43 H new ATOM 0 HB3 GLN A 9 0.069 -2.828 8.834 1.00 32.43 H new ATOM 0 HG2 GLN A 9 2.016 -4.352 9.099 1.00 1.31 H new ATOM 0 HG3 GLN A 9 3.062 -3.163 8.349 1.00 1.31 H new ATOM 0 HE21 GLN A 9 3.211 -4.371 11.064 1.00 41.23 H new ATOM 0 HE22 GLN A 9 3.178 -3.012 12.193 1.00 41.23 H new ATOM 146 N VAL A 10 -1.384 -3.347 5.509 1.00 1.22 N ATOM 147 CA VAL A 10 -2.543 -2.790 4.783 1.00 62.15 C ATOM 148 C VAL A 10 -3.770 -2.811 5.707 1.00 33.52 C ATOM 149 O VAL A 10 -4.275 -3.883 6.045 1.00 22.41 O ATOM 150 CB VAL A 10 -2.821 -3.588 3.454 1.00 53.13 C ATOM 151 CG1 VAL A 10 -4.048 -3.034 2.685 1.00 40.14 C ATOM 152 CG2 VAL A 10 -1.557 -3.586 2.561 1.00 64.32 C ATOM 0 H VAL A 10 -1.332 -4.365 5.484 1.00 1.22 H new ATOM 0 HA VAL A 10 -2.325 -1.761 4.497 1.00 62.15 H new ATOM 0 HB VAL A 10 -3.061 -4.616 3.726 1.00 53.13 H new ATOM 0 HG11 VAL A 10 -4.201 -3.616 1.776 1.00 40.14 H new ATOM 0 HG12 VAL A 10 -4.935 -3.106 3.315 1.00 40.14 H new ATOM 0 HG13 VAL A 10 -3.872 -1.991 2.423 1.00 40.14 H new ATOM 0 HG21 VAL A 10 -1.758 -4.140 1.644 1.00 64.32 H new ATOM 0 HG22 VAL A 10 -1.288 -2.559 2.313 1.00 64.32 H new ATOM 0 HG23 VAL A 10 -0.733 -4.057 3.096 1.00 64.32 H new ATOM 162 N LYS A 11 -4.205 -1.612 6.135 1.00 14.13 N ATOM 163 CA LYS A 11 -5.339 -1.431 7.050 1.00 30.32 C ATOM 164 C LYS A 11 -6.479 -0.730 6.292 1.00 34.23 C ATOM 165 O LYS A 11 -6.431 0.474 6.086 1.00 24.12 O ATOM 166 CB LYS A 11 -4.860 -0.581 8.263 1.00 55.42 C ATOM 167 CG LYS A 11 -5.926 -0.306 9.347 1.00 62.14 C ATOM 168 CD LYS A 11 -5.399 0.582 10.502 1.00 5.51 C ATOM 169 CE LYS A 11 -4.195 -0.038 11.237 1.00 72.35 C ATOM 170 NZ LYS A 11 -3.676 0.849 12.315 1.00 13.14 N ATOM 0 H LYS A 11 -3.772 -0.734 5.850 1.00 14.13 H new ATOM 0 HA LYS A 11 -5.708 -2.389 7.417 1.00 30.32 H new ATOM 0 HB2 LYS A 11 -4.016 -1.089 8.729 1.00 55.42 H new ATOM 0 HB3 LYS A 11 -4.491 0.375 7.891 1.00 55.42 H new ATOM 0 HG2 LYS A 11 -6.787 0.179 8.887 1.00 62.14 H new ATOM 0 HG3 LYS A 11 -6.274 -1.255 9.755 1.00 62.14 H new ATOM 0 HD2 LYS A 11 -5.112 1.555 10.103 1.00 5.51 H new ATOM 0 HD3 LYS A 11 -6.204 0.755 11.216 1.00 5.51 H new ATOM 0 HE2 LYS A 11 -4.488 -0.996 11.667 1.00 72.35 H new ATOM 0 HE3 LYS A 11 -3.399 -0.240 10.520 1.00 72.35 H new ATOM 0 HZ1 LYS A 11 -2.867 0.391 12.782 1.00 13.14 H new ATOM 0 HZ2 LYS A 11 -3.371 1.754 11.903 1.00 13.14 H new ATOM 0 HZ3 LYS A 11 -4.427 1.022 13.014 1.00 13.14 H new ATOM 184 N ILE A 12 -7.504 -1.484 5.887 1.00 25.41 N ATOM 185 CA ILE A 12 -8.635 -0.952 5.089 1.00 52.23 C ATOM 186 C ILE A 12 -9.957 -1.101 5.869 1.00 3.10 C ATOM 187 O ILE A 12 -10.371 -2.215 6.207 1.00 33.34 O ATOM 188 CB ILE A 12 -8.728 -1.642 3.659 1.00 41.55 C ATOM 189 CG1 ILE A 12 -9.992 -1.143 2.872 1.00 11.41 C ATOM 190 CG2 ILE A 12 -8.683 -3.188 3.750 1.00 70.13 C ATOM 191 CD1 ILE A 12 -10.127 -1.661 1.444 1.00 42.14 C ATOM 0 H ILE A 12 -7.583 -2.479 6.097 1.00 25.41 H new ATOM 0 HA ILE A 12 -8.452 0.109 4.916 1.00 52.23 H new ATOM 0 HB ILE A 12 -7.845 -1.339 3.097 1.00 41.55 H new ATOM 0 HG12 ILE A 12 -10.883 -1.432 3.430 1.00 11.41 H new ATOM 0 HG13 ILE A 12 -9.973 -0.054 2.844 1.00 11.41 H new ATOM 0 HG21 ILE A 12 -8.750 -3.614 2.749 1.00 70.13 H new ATOM 0 HG22 ILE A 12 -7.747 -3.498 4.215 1.00 70.13 H new ATOM 0 HG23 ILE A 12 -9.521 -3.542 4.351 1.00 70.13 H new ATOM 0 HD11 ILE A 12 -11.033 -1.255 0.994 1.00 42.14 H new ATOM 0 HD12 ILE A 12 -9.261 -1.349 0.860 1.00 42.14 H new ATOM 0 HD13 ILE A 12 -10.184 -2.749 1.456 1.00 42.14 H new ATOM 203 N THR A 13 -10.605 0.035 6.173 1.00 33.04 N ATOM 204 CA THR A 13 -11.918 0.047 6.829 1.00 65.13 C ATOM 205 C THR A 13 -13.024 0.044 5.747 1.00 72.42 C ATOM 206 O THR A 13 -13.195 1.022 5.013 1.00 13.12 O ATOM 207 CB THR A 13 -12.073 1.275 7.785 1.00 53.00 C ATOM 208 OG1 THR A 13 -11.003 1.270 8.744 1.00 12.33 O ATOM 209 CG2 THR A 13 -13.421 1.271 8.538 1.00 25.32 C ATOM 0 H THR A 13 -10.235 0.964 5.972 1.00 33.04 H new ATOM 0 HA THR A 13 -12.011 -0.847 7.446 1.00 65.13 H new ATOM 0 HB THR A 13 -12.040 2.173 7.168 1.00 53.00 H new ATOM 0 HG1 THR A 13 -11.097 2.040 9.343 1.00 12.33 H new ATOM 0 HG21 THR A 13 -13.477 2.144 9.188 1.00 25.32 H new ATOM 0 HG22 THR A 13 -14.240 1.300 7.819 1.00 25.32 H new ATOM 0 HG23 THR A 13 -13.499 0.365 9.140 1.00 25.32 H new ATOM 217 N CYS A 14 -13.742 -1.085 5.651 1.00 14.15 N ATOM 218 CA CYS A 14 -14.848 -1.299 4.703 1.00 21.04 C ATOM 219 C CYS A 14 -16.141 -1.409 5.516 1.00 70.33 C ATOM 220 O CYS A 14 -16.220 -2.235 6.443 1.00 2.24 O ATOM 221 CB CYS A 14 -14.588 -2.586 3.893 1.00 52.23 C ATOM 222 SG CYS A 14 -15.769 -3.033 2.545 1.00 11.20 S ATOM 0 H CYS A 14 -13.566 -1.895 6.245 1.00 14.15 H new ATOM 0 HA CYS A 14 -14.930 -0.473 3.997 1.00 21.04 H new ATOM 0 HB2 CYS A 14 -13.595 -2.504 3.450 1.00 52.23 H new ATOM 0 HB3 CYS A 14 -14.556 -3.419 4.595 1.00 52.23 H new ATOM 227 N ASN A 15 -17.124 -0.546 5.171 1.00 3.42 N ATOM 228 CA ASN A 15 -18.420 -0.419 5.863 1.00 42.41 C ATOM 229 C ASN A 15 -18.202 0.216 7.254 1.00 41.34 C ATOM 230 O ASN A 15 -18.370 1.432 7.422 1.00 64.22 O ATOM 231 CB ASN A 15 -19.188 -1.779 5.934 1.00 33.13 C ATOM 232 CG ASN A 15 -20.545 -1.695 6.640 1.00 41.53 C ATOM 233 OD1 ASN A 15 -21.228 -0.667 6.604 1.00 13.13 O ATOM 234 ND2 ASN A 15 -20.948 -2.780 7.287 1.00 64.03 N ATOM 0 H ASN A 15 -17.032 0.096 4.384 1.00 3.42 H new ATOM 0 HA ASN A 15 -19.063 0.243 5.283 1.00 42.41 H new ATOM 0 HB2 ASN A 15 -19.340 -2.151 4.921 1.00 33.13 H new ATOM 0 HB3 ASN A 15 -18.566 -2.509 6.452 1.00 33.13 H new ATOM 0 HD21 ASN A 15 -21.845 -2.780 7.773 1.00 64.03 H new ATOM 0 HD22 ASN A 15 -20.361 -3.614 7.299 1.00 64.03 H new ATOM 241 N GLY A 16 -17.779 -0.607 8.216 1.00 12.23 N ATOM 242 CA GLY A 16 -17.451 -0.151 9.568 1.00 70.22 C ATOM 243 C GLY A 16 -16.542 -1.138 10.273 1.00 24.22 C ATOM 244 O GLY A 16 -16.440 -1.126 11.504 1.00 4.32 O ATOM 0 H GLY A 16 -17.654 -1.610 8.079 1.00 12.23 H new ATOM 0 HA2 GLY A 16 -16.965 0.824 9.518 1.00 70.22 H new ATOM 0 HA3 GLY A 16 -18.368 -0.021 10.143 1.00 70.22 H new ATOM 248 N LYS A 17 -15.889 -2.012 9.481 1.00 32.43 N ATOM 249 CA LYS A 17 -14.973 -3.049 9.971 1.00 51.35 C ATOM 250 C LYS A 17 -13.569 -2.775 9.408 1.00 75.32 C ATOM 251 O LYS A 17 -13.403 -2.627 8.194 1.00 72.44 O ATOM 252 CB LYS A 17 -15.478 -4.453 9.526 1.00 33.01 C ATOM 253 CG LYS A 17 -16.868 -4.905 10.064 1.00 23.13 C ATOM 254 CD LYS A 17 -16.875 -5.378 11.554 1.00 65.52 C ATOM 255 CE LYS A 17 -16.926 -4.235 12.586 1.00 74.43 C ATOM 256 NZ LYS A 17 -16.867 -4.734 13.991 1.00 61.21 N ATOM 0 H LYS A 17 -15.989 -2.013 8.466 1.00 32.43 H new ATOM 0 HA LYS A 17 -14.934 -3.030 11.060 1.00 51.35 H new ATOM 0 HB2 LYS A 17 -15.514 -4.471 8.437 1.00 33.01 H new ATOM 0 HB3 LYS A 17 -14.739 -5.193 9.833 1.00 33.01 H new ATOM 0 HG2 LYS A 17 -17.569 -4.077 9.957 1.00 23.13 H new ATOM 0 HG3 LYS A 17 -17.237 -5.718 9.438 1.00 23.13 H new ATOM 0 HD2 LYS A 17 -17.734 -6.031 11.711 1.00 65.52 H new ATOM 0 HD3 LYS A 17 -15.982 -5.976 11.737 1.00 65.52 H new ATOM 0 HE2 LYS A 17 -16.094 -3.553 12.410 1.00 74.43 H new ATOM 0 HE3 LYS A 17 -17.843 -3.662 12.445 1.00 74.43 H new ATOM 0 HZ1 LYS A 17 -16.904 -3.928 14.647 1.00 61.21 H new ATOM 0 HZ2 LYS A 17 -17.675 -5.364 14.170 1.00 61.21 H new ATOM 0 HZ3 LYS A 17 -15.981 -5.258 14.136 1.00 61.21 H new ATOM 270 N THR A 18 -12.575 -2.696 10.304 1.00 40.43 N ATOM 271 CA THR A 18 -11.185 -2.372 9.952 1.00 51.14 C ATOM 272 C THR A 18 -10.385 -3.677 9.755 1.00 24.24 C ATOM 273 O THR A 18 -10.322 -4.514 10.661 1.00 2.33 O ATOM 274 CB THR A 18 -10.543 -1.480 11.065 1.00 24.43 C ATOM 275 OG1 THR A 18 -11.374 -0.326 11.290 1.00 44.42 O ATOM 276 CG2 THR A 18 -9.129 -1.009 10.692 1.00 30.33 C ATOM 0 H THR A 18 -12.714 -2.856 11.302 1.00 40.43 H new ATOM 0 HA THR A 18 -11.166 -1.810 9.018 1.00 51.14 H new ATOM 0 HB THR A 18 -10.467 -2.088 11.967 1.00 24.43 H new ATOM 0 HG1 THR A 18 -11.325 0.269 10.513 1.00 44.42 H new ATOM 0 HG21 THR A 18 -8.727 -0.393 11.496 1.00 30.33 H new ATOM 0 HG22 THR A 18 -8.485 -1.875 10.541 1.00 30.33 H new ATOM 0 HG23 THR A 18 -9.171 -0.424 9.773 1.00 30.33 H new ATOM 284 N TYR A 19 -9.803 -3.842 8.558 1.00 63.01 N ATOM 285 CA TYR A 19 -9.089 -5.065 8.156 1.00 72.43 C ATOM 286 C TYR A 19 -7.594 -4.755 7.976 1.00 74.53 C ATOM 287 O TYR A 19 -7.190 -4.203 6.951 1.00 44.23 O ATOM 288 CB TYR A 19 -9.698 -5.601 6.828 1.00 20.21 C ATOM 289 CG TYR A 19 -11.203 -5.914 6.900 1.00 42.53 C ATOM 290 CD1 TYR A 19 -11.672 -6.972 7.676 1.00 14.34 C ATOM 291 CD2 TYR A 19 -12.149 -5.155 6.190 1.00 74.13 C ATOM 292 CE1 TYR A 19 -13.020 -7.263 7.749 1.00 32.35 C ATOM 293 CE2 TYR A 19 -13.499 -5.446 6.262 1.00 31.14 C ATOM 294 CZ TYR A 19 -13.929 -6.499 7.040 1.00 22.44 C ATOM 295 OH TYR A 19 -15.278 -6.789 7.113 1.00 63.34 O ATOM 0 H TYR A 19 -9.814 -3.124 7.834 1.00 63.01 H new ATOM 0 HA TYR A 19 -9.195 -5.827 8.928 1.00 72.43 H new ATOM 0 HB2 TYR A 19 -9.530 -4.865 6.042 1.00 20.21 H new ATOM 0 HB3 TYR A 19 -9.165 -6.506 6.537 1.00 20.21 H new ATOM 0 HD1 TYR A 19 -10.969 -7.575 8.230 1.00 14.34 H new ATOM 0 HD2 TYR A 19 -11.816 -4.330 5.578 1.00 74.13 H new ATOM 0 HE1 TYR A 19 -13.364 -8.086 8.359 1.00 32.35 H new ATOM 0 HE2 TYR A 19 -14.213 -4.851 5.711 1.00 31.14 H new ATOM 0 HH TYR A 19 -15.779 -6.157 6.557 1.00 63.34 H new ATOM 305 N GLU A 20 -6.783 -5.118 8.980 1.00 13.41 N ATOM 306 CA GLU A 20 -5.328 -4.865 8.982 1.00 15.43 C ATOM 307 C GLU A 20 -4.551 -6.189 9.045 1.00 41.44 C ATOM 308 O GLU A 20 -5.036 -7.175 9.622 1.00 24.12 O ATOM 309 CB GLU A 20 -4.936 -3.930 10.155 1.00 30.03 C ATOM 310 CG GLU A 20 -5.193 -4.484 11.575 1.00 15.25 C ATOM 311 CD GLU A 20 -4.786 -3.494 12.684 1.00 74.33 C ATOM 312 OE1 GLU A 20 -5.610 -2.634 13.064 1.00 61.32 O ATOM 313 OE2 GLU A 20 -3.636 -3.558 13.172 1.00 63.35 O ATOM 0 H GLU A 20 -7.115 -5.597 9.817 1.00 13.41 H new ATOM 0 HA GLU A 20 -5.063 -4.363 8.052 1.00 15.43 H new ATOM 0 HB2 GLU A 20 -3.876 -3.691 10.065 1.00 30.03 H new ATOM 0 HB3 GLU A 20 -5.484 -2.994 10.047 1.00 30.03 H new ATOM 0 HG2 GLU A 20 -6.251 -4.726 11.680 1.00 15.25 H new ATOM 0 HG3 GLU A 20 -4.639 -5.414 11.703 1.00 15.25 H new ATOM 320 N ARG A 21 -3.350 -6.197 8.436 1.00 31.23 N ATOM 321 CA ARG A 21 -2.465 -7.376 8.391 1.00 70.21 C ATOM 322 C ARG A 21 -1.054 -6.956 7.933 1.00 43.32 C ATOM 323 O ARG A 21 -0.918 -6.132 7.024 1.00 33.22 O ATOM 324 CB ARG A 21 -3.063 -8.469 7.452 1.00 15.14 C ATOM 325 CG ARG A 21 -2.190 -9.731 7.266 1.00 55.51 C ATOM 326 CD ARG A 21 -2.945 -10.900 6.611 1.00 4.25 C ATOM 327 NE ARG A 21 -3.545 -10.527 5.318 1.00 33.43 N ATOM 328 CZ ARG A 21 -4.086 -11.384 4.438 1.00 4.10 C ATOM 329 NH1 ARG A 21 -4.124 -12.691 4.679 1.00 4.41 N ATOM 330 NH2 ARG A 21 -4.580 -10.914 3.303 1.00 72.24 N ATOM 0 H ARG A 21 -2.965 -5.382 7.959 1.00 31.23 H new ATOM 0 HA ARG A 21 -2.387 -7.803 9.391 1.00 70.21 H new ATOM 0 HB2 ARG A 21 -4.032 -8.773 7.847 1.00 15.14 H new ATOM 0 HB3 ARG A 21 -3.243 -8.025 6.473 1.00 15.14 H new ATOM 0 HG2 ARG A 21 -1.324 -9.479 6.654 1.00 55.51 H new ATOM 0 HG3 ARG A 21 -1.812 -10.050 8.237 1.00 55.51 H new ATOM 0 HD2 ARG A 21 -2.259 -11.734 6.463 1.00 4.25 H new ATOM 0 HD3 ARG A 21 -3.728 -11.247 7.285 1.00 4.25 H new ATOM 0 HE ARG A 21 -3.550 -9.537 5.072 1.00 33.43 H new ATOM 0 HH11 ARG A 21 -3.737 -13.061 5.547 1.00 4.41 H new ATOM 0 HH12 ARG A 21 -4.540 -13.324 3.996 1.00 4.41 H new ATOM 0 HH21 ARG A 21 -4.546 -9.913 3.108 1.00 72.24 H new ATOM 0 HH22 ARG A 21 -4.994 -11.552 2.624 1.00 72.24 H new ATOM 344 N THR A 22 -0.016 -7.501 8.605 1.00 42.15 N ATOM 345 CA THR A 22 1.391 -7.280 8.241 1.00 11.24 C ATOM 346 C THR A 22 1.801 -8.312 7.168 1.00 21.42 C ATOM 347 O THR A 22 1.905 -9.507 7.458 1.00 60.34 O ATOM 348 CB THR A 22 2.325 -7.399 9.502 1.00 60.42 C ATOM 349 OG1 THR A 22 1.866 -6.512 10.541 1.00 24.24 O ATOM 350 CG2 THR A 22 3.799 -7.071 9.180 1.00 22.54 C ATOM 0 H THR A 22 -0.136 -8.107 9.416 1.00 42.15 H new ATOM 0 HA THR A 22 1.502 -6.272 7.842 1.00 11.24 H new ATOM 0 HB THR A 22 2.276 -8.436 9.834 1.00 60.42 H new ATOM 0 HG1 THR A 22 2.451 -6.593 11.323 1.00 24.24 H new ATOM 0 HG21 THR A 22 4.399 -7.168 10.085 1.00 22.54 H new ATOM 0 HG22 THR A 22 4.169 -7.763 8.423 1.00 22.54 H new ATOM 0 HG23 THR A 22 3.871 -6.050 8.805 1.00 22.54 H new ATOM 358 N TYR A 23 2.001 -7.834 5.934 1.00 22.54 N ATOM 359 CA TYR A 23 2.452 -8.665 4.797 1.00 4.44 C ATOM 360 C TYR A 23 3.973 -8.505 4.667 1.00 52.24 C ATOM 361 O TYR A 23 4.465 -7.386 4.719 1.00 63.05 O ATOM 362 CB TYR A 23 1.795 -8.196 3.459 1.00 72.54 C ATOM 363 CG TYR A 23 0.258 -8.194 3.418 1.00 42.04 C ATOM 364 CD1 TYR A 23 -0.477 -7.219 4.095 1.00 31.33 C ATOM 365 CD2 TYR A 23 -0.459 -9.146 2.682 1.00 71.11 C ATOM 366 CE1 TYR A 23 -1.850 -7.185 4.042 1.00 50.45 C ATOM 367 CE2 TYR A 23 -1.841 -9.111 2.629 1.00 62.51 C ATOM 368 CZ TYR A 23 -2.526 -8.129 3.315 1.00 62.14 C ATOM 369 OH TYR A 23 -3.899 -8.094 3.278 1.00 72.52 O ATOM 0 H TYR A 23 1.855 -6.855 5.689 1.00 22.54 H new ATOM 0 HA TYR A 23 2.167 -9.701 4.981 1.00 4.44 H new ATOM 0 HB2 TYR A 23 2.144 -7.187 3.242 1.00 72.54 H new ATOM 0 HB3 TYR A 23 2.158 -8.838 2.656 1.00 72.54 H new ATOM 0 HD1 TYR A 23 0.046 -6.473 4.675 1.00 31.33 H new ATOM 0 HD2 TYR A 23 0.075 -9.918 2.148 1.00 71.11 H new ATOM 0 HE1 TYR A 23 -2.394 -6.417 4.572 1.00 50.45 H new ATOM 0 HE2 TYR A 23 -2.381 -9.848 2.054 1.00 62.51 H new ATOM 0 HH TYR A 23 -4.192 -7.416 2.633 1.00 72.52 H new ATOM 379 N GLN A 24 4.709 -9.609 4.492 1.00 63.23 N ATOM 380 CA GLN A 24 6.171 -9.551 4.313 1.00 24.13 C ATOM 381 C GLN A 24 6.454 -9.490 2.803 1.00 24.53 C ATOM 382 O GLN A 24 6.233 -10.474 2.094 1.00 24.10 O ATOM 383 CB GLN A 24 6.880 -10.785 4.957 1.00 31.30 C ATOM 384 CG GLN A 24 6.855 -10.876 6.505 1.00 61.25 C ATOM 385 CD GLN A 24 5.455 -11.047 7.110 1.00 32.03 C ATOM 386 OE1 GLN A 24 4.951 -12.163 7.240 1.00 54.50 O ATOM 387 NE2 GLN A 24 4.842 -9.955 7.533 1.00 11.20 N ATOM 0 H GLN A 24 4.321 -10.552 4.470 1.00 63.23 H new ATOM 0 HA GLN A 24 6.567 -8.668 4.815 1.00 24.13 H new ATOM 0 HB2 GLN A 24 6.420 -11.688 4.556 1.00 31.30 H new ATOM 0 HB3 GLN A 24 7.921 -10.786 4.633 1.00 31.30 H new ATOM 0 HG2 GLN A 24 7.477 -11.715 6.817 1.00 61.25 H new ATOM 0 HG3 GLN A 24 7.307 -9.974 6.917 1.00 61.25 H new ATOM 0 HE21 GLN A 24 5.283 -9.043 7.412 1.00 11.20 H new ATOM 0 HE22 GLN A 24 3.928 -10.024 7.980 1.00 11.20 H new ATOM 396 N LEU A 25 6.900 -8.320 2.312 1.00 14.34 N ATOM 397 CA LEU A 25 7.270 -8.124 0.897 1.00 42.41 C ATOM 398 C LEU A 25 8.785 -7.913 0.797 1.00 35.33 C ATOM 399 O LEU A 25 9.297 -6.812 1.019 1.00 44.50 O ATOM 400 CB LEU A 25 6.485 -6.929 0.267 1.00 33.45 C ATOM 401 CG LEU A 25 4.937 -7.102 0.177 1.00 34.03 C ATOM 402 CD1 LEU A 25 4.265 -5.910 -0.538 1.00 44.23 C ATOM 403 CD2 LEU A 25 4.557 -8.438 -0.500 1.00 3.31 C ATOM 0 H LEU A 25 7.014 -7.483 2.884 1.00 14.34 H new ATOM 0 HA LEU A 25 6.998 -9.014 0.330 1.00 42.41 H new ATOM 0 HB2 LEU A 25 6.698 -6.033 0.849 1.00 33.45 H new ATOM 0 HB3 LEU A 25 6.871 -6.755 -0.738 1.00 33.45 H new ATOM 0 HG LEU A 25 4.560 -7.124 1.200 1.00 34.03 H new ATOM 0 HD11 LEU A 25 3.188 -6.071 -0.579 1.00 44.23 H new ATOM 0 HD12 LEU A 25 4.474 -4.992 0.011 1.00 44.23 H new ATOM 0 HD13 LEU A 25 4.658 -5.825 -1.551 1.00 44.23 H new ATOM 0 HD21 LEU A 25 3.472 -8.527 -0.546 1.00 3.31 H new ATOM 0 HD22 LEU A 25 4.967 -8.464 -1.510 1.00 3.31 H new ATOM 0 HD23 LEU A 25 4.964 -9.268 0.078 1.00 3.31 H new ATOM 415 N TYR A 26 9.488 -9.005 0.495 1.00 35.21 N ATOM 416 CA TYR A 26 10.927 -9.009 0.216 1.00 22.04 C ATOM 417 C TYR A 26 11.148 -8.882 -1.299 1.00 61.01 C ATOM 418 O TYR A 26 10.504 -9.593 -2.079 1.00 54.53 O ATOM 419 CB TYR A 26 11.560 -10.322 0.773 1.00 42.31 C ATOM 420 CG TYR A 26 12.983 -10.608 0.266 1.00 12.24 C ATOM 421 CD1 TYR A 26 14.074 -9.849 0.691 1.00 51.04 C ATOM 422 CD2 TYR A 26 13.226 -11.629 -0.660 1.00 43.41 C ATOM 423 CE1 TYR A 26 15.343 -10.095 0.207 1.00 42.45 C ATOM 424 CE2 TYR A 26 14.492 -11.875 -1.137 1.00 44.40 C ATOM 425 CZ TYR A 26 15.548 -11.106 -0.703 1.00 23.51 C ATOM 426 OH TYR A 26 16.815 -11.351 -1.192 1.00 40.51 O ATOM 0 H TYR A 26 9.065 -9.931 0.436 1.00 35.21 H new ATOM 0 HA TYR A 26 11.410 -8.164 0.707 1.00 22.04 H new ATOM 0 HB2 TYR A 26 11.580 -10.268 1.861 1.00 42.31 H new ATOM 0 HB3 TYR A 26 10.918 -11.161 0.507 1.00 42.31 H new ATOM 0 HD1 TYR A 26 13.923 -9.057 1.410 1.00 51.04 H new ATOM 0 HD2 TYR A 26 12.403 -12.236 -1.007 1.00 43.41 H new ATOM 0 HE1 TYR A 26 16.175 -9.494 0.543 1.00 42.45 H new ATOM 0 HE2 TYR A 26 14.657 -12.669 -1.850 1.00 44.40 H new ATOM 0 HH TYR A 26 16.783 -12.100 -1.824 1.00 40.51 H new ATOM 436 N ALA A 27 12.073 -8.000 -1.709 1.00 11.04 N ATOM 437 CA ALA A 27 12.390 -7.792 -3.130 1.00 51.44 C ATOM 438 C ALA A 27 13.832 -7.332 -3.312 1.00 35.15 C ATOM 439 O ALA A 27 14.361 -6.582 -2.483 1.00 41.43 O ATOM 440 CB ALA A 27 11.433 -6.775 -3.758 1.00 10.34 C ATOM 0 H ALA A 27 12.617 -7.417 -1.073 1.00 11.04 H new ATOM 0 HA ALA A 27 12.268 -8.749 -3.637 1.00 51.44 H new ATOM 0 HB1 ALA A 27 11.687 -6.637 -4.809 1.00 10.34 H new ATOM 0 HB2 ALA A 27 10.409 -7.140 -3.677 1.00 10.34 H new ATOM 0 HB3 ALA A 27 11.521 -5.822 -3.236 1.00 10.34 H new ATOM 446 N VAL A 28 14.439 -7.796 -4.417 1.00 30.43 N ATOM 447 CA VAL A 28 15.768 -7.374 -4.865 1.00 15.55 C ATOM 448 C VAL A 28 15.734 -5.878 -5.250 1.00 12.21 C ATOM 449 O VAL A 28 16.588 -5.095 -4.840 1.00 21.23 O ATOM 450 CB VAL A 28 16.246 -8.253 -6.089 1.00 2.32 C ATOM 451 CG1 VAL A 28 17.631 -7.811 -6.627 1.00 24.13 C ATOM 452 CG2 VAL A 28 16.245 -9.761 -5.723 1.00 2.35 C ATOM 0 H VAL A 28 14.009 -8.487 -5.032 1.00 30.43 H new ATOM 0 HA VAL A 28 16.479 -7.515 -4.051 1.00 15.55 H new ATOM 0 HB VAL A 28 15.529 -8.094 -6.894 1.00 2.32 H new ATOM 0 HG11 VAL A 28 17.915 -8.445 -7.467 1.00 24.13 H new ATOM 0 HG12 VAL A 28 17.579 -6.774 -6.957 1.00 24.13 H new ATOM 0 HG13 VAL A 28 18.375 -7.903 -5.836 1.00 24.13 H new ATOM 0 HG21 VAL A 28 16.578 -10.344 -6.582 1.00 2.35 H new ATOM 0 HG22 VAL A 28 16.920 -9.932 -4.885 1.00 2.35 H new ATOM 0 HG23 VAL A 28 15.236 -10.067 -5.445 1.00 2.35 H new ATOM 462 N ARG A 29 14.701 -5.487 -6.014 1.00 1.41 N ATOM 463 CA ARG A 29 14.519 -4.095 -6.491 1.00 4.12 C ATOM 464 C ARG A 29 13.144 -3.563 -6.057 1.00 74.22 C ATOM 465 O ARG A 29 12.215 -4.341 -5.820 1.00 24.34 O ATOM 466 CB ARG A 29 14.654 -4.033 -8.042 1.00 22.14 C ATOM 467 CG ARG A 29 15.987 -4.586 -8.597 1.00 74.52 C ATOM 468 CD ARG A 29 16.073 -4.550 -10.134 1.00 20.12 C ATOM 469 NE ARG A 29 17.373 -5.064 -10.612 1.00 71.20 N ATOM 470 CZ ARG A 29 17.559 -6.127 -11.419 1.00 30.14 C ATOM 471 NH1 ARG A 29 16.528 -6.831 -11.894 1.00 2.12 N ATOM 472 NH2 ARG A 29 18.797 -6.483 -11.739 1.00 24.22 N ATOM 0 H ARG A 29 13.965 -6.123 -6.322 1.00 1.41 H new ATOM 0 HA ARG A 29 15.294 -3.470 -6.048 1.00 4.12 H new ATOM 0 HB2 ARG A 29 13.831 -4.592 -8.487 1.00 22.14 H new ATOM 0 HB3 ARG A 29 14.545 -2.997 -8.361 1.00 22.14 H new ATOM 0 HG2 ARG A 29 16.812 -4.008 -8.181 1.00 74.52 H new ATOM 0 HG3 ARG A 29 16.114 -5.614 -8.258 1.00 74.52 H new ATOM 0 HD2 ARG A 29 15.265 -5.146 -10.559 1.00 20.12 H new ATOM 0 HD3 ARG A 29 15.933 -3.527 -10.484 1.00 20.12 H new ATOM 0 HE ARG A 29 18.208 -4.568 -10.302 1.00 71.20 H new ATOM 0 HH11 ARG A 29 15.574 -6.568 -11.647 1.00 2.12 H new ATOM 0 HH12 ARG A 29 16.695 -7.632 -12.503 1.00 2.12 H new ATOM 0 HH21 ARG A 29 19.590 -5.954 -11.375 1.00 24.22 H new ATOM 0 HH22 ARG A 29 18.956 -7.285 -12.349 1.00 24.22 H new ATOM 486 N ASP A 30 13.035 -2.229 -5.966 1.00 43.22 N ATOM 487 CA ASP A 30 11.750 -1.525 -5.755 1.00 74.24 C ATOM 488 C ASP A 30 10.823 -1.724 -6.971 1.00 3.30 C ATOM 489 O ASP A 30 9.599 -1.675 -6.838 1.00 41.41 O ATOM 490 CB ASP A 30 12.001 -0.021 -5.486 1.00 5.44 C ATOM 491 CG ASP A 30 12.849 0.654 -6.583 1.00 22.12 C ATOM 492 OD1 ASP A 30 12.290 1.091 -7.610 1.00 71.13 O ATOM 493 OD2 ASP A 30 14.091 0.729 -6.426 1.00 50.40 O ATOM 0 H ASP A 30 13.836 -1.601 -6.036 1.00 43.22 H new ATOM 0 HA ASP A 30 11.255 -1.948 -4.881 1.00 74.24 H new ATOM 0 HB2 ASP A 30 11.043 0.493 -5.407 1.00 5.44 H new ATOM 0 HB3 ASP A 30 12.503 0.092 -4.525 1.00 5.44 H new ATOM 498 N GLU A 31 11.449 -1.941 -8.154 1.00 4.33 N ATOM 499 CA GLU A 31 10.772 -2.395 -9.386 1.00 44.44 C ATOM 500 C GLU A 31 9.951 -3.675 -9.125 1.00 11.41 C ATOM 501 O GLU A 31 8.793 -3.777 -9.530 1.00 53.22 O ATOM 502 CB GLU A 31 11.835 -2.681 -10.488 1.00 42.20 C ATOM 503 CG GLU A 31 12.698 -1.472 -10.900 1.00 23.45 C ATOM 504 CD GLU A 31 11.898 -0.375 -11.627 1.00 44.52 C ATOM 505 OE1 GLU A 31 11.670 -0.505 -12.848 1.00 50.23 O ATOM 506 OE2 GLU A 31 11.501 0.621 -10.991 1.00 64.33 O ATOM 0 H GLU A 31 12.452 -1.803 -8.277 1.00 4.33 H new ATOM 0 HA GLU A 31 10.094 -1.608 -9.716 1.00 44.44 H new ATOM 0 HB2 GLU A 31 12.495 -3.474 -10.136 1.00 42.20 H new ATOM 0 HB3 GLU A 31 11.324 -3.060 -11.373 1.00 42.20 H new ATOM 0 HG2 GLU A 31 13.162 -1.045 -10.011 1.00 23.45 H new ATOM 0 HG3 GLU A 31 13.505 -1.814 -11.548 1.00 23.45 H new ATOM 513 N GLU A 32 10.574 -4.628 -8.399 1.00 45.33 N ATOM 514 CA GLU A 32 9.970 -5.942 -8.094 1.00 75.43 C ATOM 515 C GLU A 32 8.851 -5.809 -7.040 1.00 20.31 C ATOM 516 O GLU A 32 7.980 -6.666 -6.948 1.00 50.51 O ATOM 517 CB GLU A 32 11.040 -6.938 -7.568 1.00 14.51 C ATOM 518 CG GLU A 32 12.366 -6.990 -8.356 1.00 61.21 C ATOM 519 CD GLU A 32 12.200 -7.203 -9.868 1.00 1.41 C ATOM 520 OE1 GLU A 32 11.841 -8.325 -10.288 1.00 41.51 O ATOM 521 OE2 GLU A 32 12.450 -6.259 -10.643 1.00 42.12 O ATOM 0 H GLU A 32 11.509 -4.508 -8.009 1.00 45.33 H new ATOM 0 HA GLU A 32 9.546 -6.323 -9.023 1.00 75.43 H new ATOM 0 HB2 GLU A 32 11.266 -6.683 -6.533 1.00 14.51 H new ATOM 0 HB3 GLU A 32 10.605 -7.937 -7.563 1.00 14.51 H new ATOM 0 HG2 GLU A 32 12.909 -6.060 -8.190 1.00 61.21 H new ATOM 0 HG3 GLU A 32 12.982 -7.795 -7.954 1.00 61.21 H new ATOM 528 N LEU A 33 8.915 -4.736 -6.229 1.00 20.54 N ATOM 529 CA LEU A 33 7.946 -4.479 -5.145 1.00 71.20 C ATOM 530 C LEU A 33 6.606 -3.948 -5.738 1.00 20.33 C ATOM 531 O LEU A 33 5.549 -4.160 -5.150 1.00 63.44 O ATOM 532 CB LEU A 33 8.557 -3.483 -4.086 1.00 53.14 C ATOM 533 CG LEU A 33 8.253 -3.767 -2.560 1.00 50.33 C ATOM 534 CD1 LEU A 33 6.750 -3.791 -2.238 1.00 44.12 C ATOM 535 CD2 LEU A 33 8.930 -5.062 -2.069 1.00 31.32 C ATOM 0 H LEU A 33 9.640 -4.022 -6.306 1.00 20.54 H new ATOM 0 HA LEU A 33 7.731 -5.413 -4.626 1.00 71.20 H new ATOM 0 HB2 LEU A 33 9.639 -3.473 -4.218 1.00 53.14 H new ATOM 0 HB3 LEU A 33 8.198 -2.481 -4.320 1.00 53.14 H new ATOM 0 HG LEU A 33 8.684 -2.926 -2.017 1.00 50.33 H new ATOM 0 HD11 LEU A 33 6.609 -3.990 -1.176 1.00 44.12 H new ATOM 0 HD12 LEU A 33 6.309 -2.826 -2.488 1.00 44.12 H new ATOM 0 HD13 LEU A 33 6.265 -4.574 -2.822 1.00 44.12 H new ATOM 0 HD21 LEU A 33 8.695 -5.219 -1.016 1.00 31.32 H new ATOM 0 HD22 LEU A 33 8.565 -5.907 -2.652 1.00 31.32 H new ATOM 0 HD23 LEU A 33 10.010 -4.977 -2.191 1.00 31.32 H new ATOM 547 N LYS A 34 6.669 -3.292 -6.921 1.00 31.43 N ATOM 548 CA LYS A 34 5.488 -2.654 -7.569 1.00 54.33 C ATOM 549 C LYS A 34 4.363 -3.670 -7.900 1.00 70.02 C ATOM 550 O LYS A 34 3.184 -3.412 -7.618 1.00 25.14 O ATOM 551 CB LYS A 34 5.926 -1.894 -8.854 1.00 63.23 C ATOM 552 CG LYS A 34 6.970 -0.784 -8.597 1.00 14.04 C ATOM 553 CD LYS A 34 7.379 -0.005 -9.871 1.00 12.43 C ATOM 554 CE LYS A 34 6.211 0.779 -10.503 1.00 51.50 C ATOM 555 NZ LYS A 34 6.659 1.582 -11.673 1.00 74.33 N ATOM 0 H LYS A 34 7.532 -3.188 -7.454 1.00 31.43 H new ATOM 0 HA LYS A 34 5.073 -1.947 -6.850 1.00 54.33 H new ATOM 0 HB2 LYS A 34 6.338 -2.610 -9.565 1.00 63.23 H new ATOM 0 HB3 LYS A 34 5.046 -1.451 -9.321 1.00 63.23 H new ATOM 0 HG2 LYS A 34 6.568 -0.082 -7.866 1.00 14.04 H new ATOM 0 HG3 LYS A 34 7.860 -1.231 -8.154 1.00 14.04 H new ATOM 0 HD2 LYS A 34 8.182 0.689 -9.623 1.00 12.43 H new ATOM 0 HD3 LYS A 34 7.778 -0.705 -10.605 1.00 12.43 H new ATOM 0 HE2 LYS A 34 5.432 0.083 -10.815 1.00 51.50 H new ATOM 0 HE3 LYS A 34 5.769 1.439 -9.756 1.00 51.50 H new ATOM 0 HZ1 LYS A 34 5.848 2.096 -12.073 1.00 74.33 H new ATOM 0 HZ2 LYS A 34 7.384 2.263 -11.370 1.00 74.33 H new ATOM 0 HZ3 LYS A 34 7.058 0.950 -12.396 1.00 74.33 H new ATOM 569 N GLU A 35 4.746 -4.812 -8.517 1.00 70.43 N ATOM 570 CA GLU A 35 3.818 -5.928 -8.825 1.00 15.23 C ATOM 571 C GLU A 35 3.217 -6.536 -7.539 1.00 50.24 C ATOM 572 O GLU A 35 2.055 -6.938 -7.525 1.00 63.21 O ATOM 573 CB GLU A 35 4.545 -7.028 -9.655 1.00 75.12 C ATOM 574 CG GLU A 35 5.767 -7.654 -8.949 1.00 42.21 C ATOM 575 CD GLU A 35 6.487 -8.737 -9.773 1.00 65.20 C ATOM 576 OE1 GLU A 35 5.985 -9.880 -9.834 1.00 34.23 O ATOM 577 OE2 GLU A 35 7.562 -8.457 -10.347 1.00 32.41 O ATOM 0 H GLU A 35 5.706 -4.987 -8.815 1.00 70.43 H new ATOM 0 HA GLU A 35 2.998 -5.522 -9.417 1.00 15.23 H new ATOM 0 HB2 GLU A 35 3.833 -7.818 -9.891 1.00 75.12 H new ATOM 0 HB3 GLU A 35 4.869 -6.597 -10.602 1.00 75.12 H new ATOM 0 HG2 GLU A 35 6.478 -6.863 -8.709 1.00 42.21 H new ATOM 0 HG3 GLU A 35 5.443 -8.089 -8.003 1.00 42.21 H new ATOM 584 N LYS A 36 4.035 -6.577 -6.466 1.00 44.11 N ATOM 585 CA LYS A 36 3.643 -7.139 -5.161 1.00 41.20 C ATOM 586 C LYS A 36 2.568 -6.270 -4.503 1.00 42.02 C ATOM 587 O LYS A 36 1.615 -6.794 -3.944 1.00 24.41 O ATOM 588 CB LYS A 36 4.874 -7.246 -4.232 1.00 2.32 C ATOM 589 CG LYS A 36 5.995 -8.137 -4.788 1.00 44.20 C ATOM 590 CD LYS A 36 7.250 -8.148 -3.888 1.00 31.40 C ATOM 591 CE LYS A 36 8.356 -9.041 -4.465 1.00 13.33 C ATOM 592 NZ LYS A 36 7.898 -10.447 -4.610 1.00 64.11 N ATOM 0 H LYS A 36 4.990 -6.219 -6.483 1.00 44.11 H new ATOM 0 HA LYS A 36 3.235 -8.136 -5.326 1.00 41.20 H new ATOM 0 HB2 LYS A 36 5.271 -6.247 -4.054 1.00 2.32 H new ATOM 0 HB3 LYS A 36 4.556 -7.639 -3.266 1.00 2.32 H new ATOM 0 HG2 LYS A 36 5.623 -9.156 -4.898 1.00 44.20 H new ATOM 0 HG3 LYS A 36 6.270 -7.789 -5.784 1.00 44.20 H new ATOM 0 HD2 LYS A 36 7.626 -7.131 -3.775 1.00 31.40 H new ATOM 0 HD3 LYS A 36 6.980 -8.500 -2.892 1.00 31.40 H new ATOM 0 HE2 LYS A 36 8.667 -8.656 -5.436 1.00 13.33 H new ATOM 0 HE3 LYS A 36 9.230 -9.007 -3.814 1.00 13.33 H new ATOM 0 HZ1 LYS A 36 8.717 -11.062 -4.789 1.00 64.11 H new ATOM 0 HZ2 LYS A 36 7.423 -10.749 -3.736 1.00 64.11 H new ATOM 0 HZ3 LYS A 36 7.233 -10.515 -5.407 1.00 64.11 H new ATOM 606 N LEU A 37 2.761 -4.941 -4.580 1.00 21.23 N ATOM 607 CA LEU A 37 1.798 -3.948 -4.083 1.00 71.33 C ATOM 608 C LEU A 37 0.447 -4.116 -4.795 1.00 50.12 C ATOM 609 O LEU A 37 -0.586 -4.152 -4.132 1.00 65.10 O ATOM 610 CB LEU A 37 2.365 -2.514 -4.257 1.00 35.10 C ATOM 611 CG LEU A 37 3.608 -2.179 -3.380 1.00 12.23 C ATOM 612 CD1 LEU A 37 4.259 -0.850 -3.796 1.00 53.12 C ATOM 613 CD2 LEU A 37 3.251 -2.185 -1.875 1.00 52.33 C ATOM 0 H LEU A 37 3.596 -4.525 -4.992 1.00 21.23 H new ATOM 0 HA LEU A 37 1.633 -4.110 -3.018 1.00 71.33 H new ATOM 0 HB2 LEU A 37 2.631 -2.371 -5.304 1.00 35.10 H new ATOM 0 HB3 LEU A 37 1.575 -1.798 -4.028 1.00 35.10 H new ATOM 0 HG LEU A 37 4.344 -2.964 -3.550 1.00 12.23 H new ATOM 0 HD11 LEU A 37 5.122 -0.653 -3.160 1.00 53.12 H new ATOM 0 HD12 LEU A 37 4.581 -0.912 -4.836 1.00 53.12 H new ATOM 0 HD13 LEU A 37 3.536 -0.041 -3.688 1.00 53.12 H new ATOM 0 HD21 LEU A 37 4.139 -1.948 -1.289 1.00 52.33 H new ATOM 0 HD22 LEU A 37 2.479 -1.440 -1.681 1.00 52.33 H new ATOM 0 HD23 LEU A 37 2.883 -3.171 -1.592 1.00 52.33 H new ATOM 625 N LYS A 38 0.483 -4.266 -6.148 1.00 63.13 N ATOM 626 CA LYS A 38 -0.721 -4.561 -6.960 1.00 72.04 C ATOM 627 C LYS A 38 -1.441 -5.821 -6.441 1.00 54.23 C ATOM 628 O LYS A 38 -2.645 -5.785 -6.219 1.00 20.05 O ATOM 629 CB LYS A 38 -0.360 -4.752 -8.463 1.00 24.23 C ATOM 630 CG LYS A 38 0.127 -3.477 -9.176 1.00 63.23 C ATOM 631 CD LYS A 38 0.522 -3.735 -10.649 1.00 35.34 C ATOM 632 CE LYS A 38 0.982 -2.460 -11.367 1.00 62.05 C ATOM 633 NZ LYS A 38 2.147 -1.823 -10.691 1.00 53.42 N ATOM 0 H LYS A 38 1.339 -4.186 -6.697 1.00 63.13 H new ATOM 0 HA LYS A 38 -1.388 -3.704 -6.867 1.00 72.04 H new ATOM 0 HB2 LYS A 38 0.415 -5.514 -8.542 1.00 24.23 H new ATOM 0 HB3 LYS A 38 -1.236 -5.133 -8.987 1.00 24.23 H new ATOM 0 HG2 LYS A 38 -0.659 -2.723 -9.141 1.00 63.23 H new ATOM 0 HG3 LYS A 38 0.984 -3.070 -8.640 1.00 63.23 H new ATOM 0 HD2 LYS A 38 1.321 -4.475 -10.683 1.00 35.34 H new ATOM 0 HD3 LYS A 38 -0.329 -4.160 -11.181 1.00 35.34 H new ATOM 0 HE2 LYS A 38 1.248 -2.701 -12.396 1.00 62.05 H new ATOM 0 HE3 LYS A 38 0.156 -1.750 -11.409 1.00 62.05 H new ATOM 0 HZ1 LYS A 38 2.869 -1.580 -11.399 1.00 53.42 H new ATOM 0 HZ2 LYS A 38 1.835 -0.959 -10.203 1.00 53.42 H new ATOM 0 HZ3 LYS A 38 2.551 -2.485 -9.998 1.00 53.42 H new ATOM 647 N LYS A 39 -0.670 -6.913 -6.216 1.00 44.44 N ATOM 648 CA LYS A 39 -1.215 -8.210 -5.754 1.00 21.31 C ATOM 649 C LYS A 39 -1.905 -8.062 -4.385 1.00 31.33 C ATOM 650 O LYS A 39 -3.096 -8.284 -4.298 1.00 3.54 O ATOM 651 CB LYS A 39 -0.107 -9.304 -5.695 1.00 74.33 C ATOM 652 CG LYS A 39 0.464 -9.715 -7.071 1.00 53.33 C ATOM 653 CD LYS A 39 -0.572 -10.355 -8.042 1.00 5.30 C ATOM 654 CE LYS A 39 -0.902 -11.830 -7.736 1.00 74.44 C ATOM 655 NZ LYS A 39 -1.630 -12.020 -6.452 1.00 63.34 N ATOM 0 H LYS A 39 0.341 -6.918 -6.349 1.00 44.44 H new ATOM 0 HA LYS A 39 -1.962 -8.529 -6.481 1.00 21.31 H new ATOM 0 HB2 LYS A 39 0.710 -8.942 -5.071 1.00 74.33 H new ATOM 0 HB3 LYS A 39 -0.514 -10.189 -5.206 1.00 74.33 H new ATOM 0 HG2 LYS A 39 0.893 -8.834 -7.549 1.00 53.33 H new ATOM 0 HG3 LYS A 39 1.279 -10.421 -6.914 1.00 53.33 H new ATOM 0 HD2 LYS A 39 -1.493 -9.774 -8.006 1.00 5.30 H new ATOM 0 HD3 LYS A 39 -0.190 -10.284 -9.060 1.00 5.30 H new ATOM 0 HE2 LYS A 39 -1.503 -12.236 -8.549 1.00 74.44 H new ATOM 0 HE3 LYS A 39 0.025 -12.403 -7.708 1.00 74.44 H new ATOM 0 HZ1 LYS A 39 -2.232 -12.865 -6.516 1.00 63.34 H new ATOM 0 HZ2 LYS A 39 -0.945 -12.141 -5.679 1.00 63.34 H new ATOM 0 HZ3 LYS A 39 -2.222 -11.187 -6.262 1.00 63.34 H new ATOM 669 N VAL A 40 -1.138 -7.615 -3.366 1.00 11.12 N ATOM 670 CA VAL A 40 -1.601 -7.425 -1.960 1.00 62.32 C ATOM 671 C VAL A 40 -2.930 -6.637 -1.892 1.00 53.33 C ATOM 672 O VAL A 40 -3.860 -7.024 -1.169 1.00 5.50 O ATOM 673 CB VAL A 40 -0.479 -6.695 -1.113 1.00 31.01 C ATOM 674 CG1 VAL A 40 -0.976 -6.273 0.284 1.00 63.03 C ATOM 675 CG2 VAL A 40 0.789 -7.578 -0.985 1.00 60.41 C ATOM 0 H VAL A 40 -0.156 -7.369 -3.494 1.00 11.12 H new ATOM 0 HA VAL A 40 -1.787 -8.411 -1.535 1.00 62.32 H new ATOM 0 HB VAL A 40 -0.223 -5.786 -1.658 1.00 31.01 H new ATOM 0 HG11 VAL A 40 -0.169 -5.777 0.823 1.00 63.03 H new ATOM 0 HG12 VAL A 40 -1.817 -5.587 0.179 1.00 63.03 H new ATOM 0 HG13 VAL A 40 -1.294 -7.156 0.839 1.00 63.03 H new ATOM 0 HG21 VAL A 40 1.542 -7.051 -0.399 1.00 60.41 H new ATOM 0 HG22 VAL A 40 0.532 -8.514 -0.489 1.00 60.41 H new ATOM 0 HG23 VAL A 40 1.186 -7.791 -1.978 1.00 60.41 H new ATOM 685 N LEU A 41 -2.998 -5.555 -2.687 1.00 72.13 N ATOM 686 CA LEU A 41 -4.192 -4.710 -2.809 1.00 54.05 C ATOM 687 C LEU A 41 -5.354 -5.493 -3.458 1.00 73.03 C ATOM 688 O LEU A 41 -6.427 -5.564 -2.883 1.00 51.04 O ATOM 689 CB LEU A 41 -3.843 -3.424 -3.609 1.00 2.24 C ATOM 690 CG LEU A 41 -2.900 -2.417 -2.868 1.00 40.35 C ATOM 691 CD1 LEU A 41 -2.290 -1.388 -3.836 1.00 32.13 C ATOM 692 CD2 LEU A 41 -3.635 -1.725 -1.703 1.00 21.51 C ATOM 0 H LEU A 41 -2.219 -5.243 -3.266 1.00 72.13 H new ATOM 0 HA LEU A 41 -4.525 -4.412 -1.815 1.00 54.05 H new ATOM 0 HB2 LEU A 41 -3.372 -3.715 -4.548 1.00 2.24 H new ATOM 0 HB3 LEU A 41 -4.770 -2.910 -3.863 1.00 2.24 H new ATOM 0 HG LEU A 41 -2.074 -2.991 -2.449 1.00 40.35 H new ATOM 0 HD11 LEU A 41 -1.642 -0.708 -3.283 1.00 32.13 H new ATOM 0 HD12 LEU A 41 -1.707 -1.906 -4.597 1.00 32.13 H new ATOM 0 HD13 LEU A 41 -3.088 -0.820 -4.314 1.00 32.13 H new ATOM 0 HD21 LEU A 41 -2.957 -1.031 -1.206 1.00 21.51 H new ATOM 0 HD22 LEU A 41 -4.495 -1.178 -2.089 1.00 21.51 H new ATOM 0 HD23 LEU A 41 -3.973 -2.476 -0.989 1.00 21.51 H new ATOM 704 N ASN A 42 -5.097 -6.130 -4.617 1.00 72.55 N ATOM 705 CA ASN A 42 -6.133 -6.859 -5.397 1.00 32.03 C ATOM 706 C ASN A 42 -6.638 -8.138 -4.690 1.00 33.22 C ATOM 707 O ASN A 42 -7.747 -8.605 -4.987 1.00 15.23 O ATOM 708 CB ASN A 42 -5.607 -7.196 -6.822 1.00 12.54 C ATOM 709 CG ASN A 42 -5.304 -5.965 -7.704 1.00 15.25 C ATOM 710 OD1 ASN A 42 -4.411 -6.006 -8.558 1.00 64.31 O ATOM 711 ND2 ASN A 42 -6.043 -4.869 -7.536 1.00 62.22 N ATOM 0 H ASN A 42 -4.171 -6.158 -5.043 1.00 72.55 H new ATOM 0 HA ASN A 42 -6.989 -6.189 -5.476 1.00 32.03 H new ATOM 0 HB2 ASN A 42 -4.699 -7.792 -6.728 1.00 12.54 H new ATOM 0 HB3 ASN A 42 -6.345 -7.817 -7.330 1.00 12.54 H new ATOM 0 HD21 ASN A 42 -5.876 -4.047 -8.117 1.00 62.22 H new ATOM 0 HD22 ASN A 42 -6.776 -4.852 -6.827 1.00 62.22 H new ATOM 718 N GLU A 43 -5.838 -8.705 -3.761 1.00 0.13 N ATOM 719 CA GLU A 43 -6.272 -9.853 -2.945 1.00 13.15 C ATOM 720 C GLU A 43 -7.258 -9.353 -1.882 1.00 14.11 C ATOM 721 O GLU A 43 -8.395 -9.832 -1.783 1.00 64.32 O ATOM 722 CB GLU A 43 -5.084 -10.583 -2.231 1.00 73.44 C ATOM 723 CG GLU A 43 -3.899 -11.028 -3.125 1.00 4.44 C ATOM 724 CD GLU A 43 -4.311 -11.745 -4.421 1.00 3.44 C ATOM 725 OE1 GLU A 43 -4.704 -12.931 -4.360 1.00 23.11 O ATOM 726 OE2 GLU A 43 -4.243 -11.131 -5.512 1.00 63.12 O ATOM 0 H GLU A 43 -4.891 -8.385 -3.560 1.00 0.13 H new ATOM 0 HA GLU A 43 -6.735 -10.575 -3.618 1.00 13.15 H new ATOM 0 HB2 GLU A 43 -4.696 -9.922 -1.456 1.00 73.44 H new ATOM 0 HB3 GLU A 43 -5.480 -11.465 -1.728 1.00 73.44 H new ATOM 0 HG2 GLU A 43 -3.306 -10.151 -3.383 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -3.254 -11.690 -2.548 1.00 4.44 H new ATOM 733 N ARG A 44 -6.807 -8.335 -1.125 1.00 51.12 N ATOM 734 CA ARG A 44 -7.512 -7.838 0.062 1.00 12.22 C ATOM 735 C ARG A 44 -8.762 -7.004 -0.321 1.00 30.54 C ATOM 736 O ARG A 44 -9.711 -6.922 0.460 1.00 41.12 O ATOM 737 CB ARG A 44 -6.534 -7.009 0.959 1.00 2.53 C ATOM 738 CG ARG A 44 -7.010 -6.832 2.421 1.00 22.23 C ATOM 739 CD ARG A 44 -7.147 -8.186 3.159 1.00 33.54 C ATOM 740 NE ARG A 44 -7.847 -8.066 4.447 1.00 13.23 N ATOM 741 CZ ARG A 44 -8.019 -9.077 5.327 1.00 23.42 C ATOM 742 NH1 ARG A 44 -7.537 -10.295 5.070 1.00 14.34 N ATOM 743 NH2 ARG A 44 -8.715 -8.873 6.439 1.00 74.12 N ATOM 0 H ARG A 44 -5.940 -7.835 -1.324 1.00 51.12 H new ATOM 0 HA ARG A 44 -7.865 -8.698 0.631 1.00 12.22 H new ATOM 0 HB2 ARG A 44 -5.560 -7.498 0.963 1.00 2.53 H new ATOM 0 HB3 ARG A 44 -6.395 -6.025 0.512 1.00 2.53 H new ATOM 0 HG2 ARG A 44 -6.304 -6.198 2.957 1.00 22.23 H new ATOM 0 HG3 ARG A 44 -7.971 -6.317 2.429 1.00 22.23 H new ATOM 0 HD2 ARG A 44 -7.685 -8.888 2.523 1.00 33.54 H new ATOM 0 HD3 ARG A 44 -6.155 -8.604 3.328 1.00 33.54 H new ATOM 0 HE ARG A 44 -8.230 -7.154 4.694 1.00 13.23 H new ATOM 0 HH11 ARG A 44 -7.032 -10.471 4.201 1.00 14.34 H new ATOM 0 HH12 ARG A 44 -7.673 -11.050 5.742 1.00 14.34 H new ATOM 0 HH21 ARG A 44 -9.118 -7.955 6.627 1.00 74.12 H new ATOM 0 HH22 ARG A 44 -8.847 -9.634 7.105 1.00 74.12 H new ATOM 757 N MET A 45 -8.749 -6.401 -1.533 1.00 12.44 N ATOM 758 CA MET A 45 -9.868 -5.555 -2.025 1.00 34.43 C ATOM 759 C MET A 45 -10.896 -6.352 -2.847 1.00 40.11 C ATOM 760 O MET A 45 -11.958 -5.807 -3.189 1.00 54.40 O ATOM 761 CB MET A 45 -9.361 -4.338 -2.850 1.00 4.41 C ATOM 762 CG MET A 45 -8.642 -3.251 -2.035 1.00 22.42 C ATOM 763 SD MET A 45 -8.503 -1.700 -2.952 1.00 11.44 S ATOM 764 CE MET A 45 -10.236 -1.282 -3.218 1.00 42.13 C ATOM 0 H MET A 45 -7.975 -6.484 -2.192 1.00 12.44 H new ATOM 0 HA MET A 45 -10.369 -5.184 -1.131 1.00 34.43 H new ATOM 0 HB2 MET A 45 -8.682 -4.700 -3.622 1.00 4.41 H new ATOM 0 HB3 MET A 45 -10.211 -3.885 -3.360 1.00 4.41 H new ATOM 0 HG2 MET A 45 -9.185 -3.076 -1.106 1.00 22.42 H new ATOM 0 HG3 MET A 45 -7.647 -3.601 -1.762 1.00 22.42 H new ATOM 0 HE1 MET A 45 -10.490 -1.433 -4.267 1.00 42.13 H new ATOM 0 HE2 MET A 45 -10.864 -1.921 -2.598 1.00 42.13 H new ATOM 0 HE3 MET A 45 -10.404 -0.239 -2.950 1.00 42.13 H new ATOM 774 N ASP A 46 -10.583 -7.621 -3.161 1.00 35.43 N ATOM 775 CA ASP A 46 -11.512 -8.502 -3.900 1.00 43.33 C ATOM 776 C ASP A 46 -12.872 -8.694 -3.146 1.00 52.12 C ATOM 777 O ASP A 46 -13.931 -8.514 -3.768 1.00 33.00 O ATOM 778 CB ASP A 46 -10.855 -9.865 -4.253 1.00 63.42 C ATOM 779 CG ASP A 46 -11.814 -10.812 -5.000 1.00 72.41 C ATOM 780 OD1 ASP A 46 -12.203 -10.499 -6.143 1.00 15.30 O ATOM 781 OD2 ASP A 46 -12.188 -11.868 -4.452 1.00 70.22 O ATOM 0 H ASP A 46 -9.696 -8.062 -2.916 1.00 35.43 H new ATOM 0 HA ASP A 46 -11.740 -7.999 -4.840 1.00 43.33 H new ATOM 0 HB2 ASP A 46 -9.972 -9.690 -4.868 1.00 63.42 H new ATOM 0 HB3 ASP A 46 -10.515 -10.348 -3.337 1.00 63.42 H new ATOM 786 N PRO A 47 -12.890 -9.050 -1.802 1.00 44.31 N ATOM 787 CA PRO A 47 -14.157 -9.106 -1.021 1.00 32.24 C ATOM 788 C PRO A 47 -14.820 -7.716 -0.860 1.00 24.30 C ATOM 789 O PRO A 47 -16.033 -7.631 -0.792 1.00 62.04 O ATOM 790 CB PRO A 47 -13.715 -9.688 0.356 1.00 53.32 C ATOM 791 CG PRO A 47 -12.255 -9.356 0.451 1.00 74.44 C ATOM 792 CD PRO A 47 -11.725 -9.470 -0.954 1.00 3.25 C ATOM 0 HA PRO A 47 -14.916 -9.710 -1.519 1.00 32.24 H new ATOM 0 HB2 PRO A 47 -14.278 -9.241 1.175 1.00 53.32 H new ATOM 0 HB3 PRO A 47 -13.882 -10.764 0.404 1.00 53.32 H new ATOM 0 HG2 PRO A 47 -12.106 -8.351 0.847 1.00 74.44 H new ATOM 0 HG3 PRO A 47 -11.739 -10.043 1.122 1.00 74.44 H new ATOM 0 HD2 PRO A 47 -10.861 -8.824 -1.111 1.00 3.25 H new ATOM 0 HD3 PRO A 47 -11.408 -10.488 -1.182 1.00 3.25 H new ATOM 800 N ILE A 48 -13.997 -6.642 -0.866 1.00 43.21 N ATOM 801 CA ILE A 48 -14.427 -5.259 -0.529 1.00 31.31 C ATOM 802 C ILE A 48 -15.390 -4.690 -1.594 1.00 3.31 C ATOM 803 O ILE A 48 -16.347 -3.972 -1.262 1.00 23.44 O ATOM 804 CB ILE A 48 -13.173 -4.314 -0.362 1.00 5.33 C ATOM 805 CG1 ILE A 48 -12.198 -4.885 0.718 1.00 54.35 C ATOM 806 CG2 ILE A 48 -13.561 -2.845 -0.043 1.00 21.14 C ATOM 807 CD1 ILE A 48 -12.795 -5.103 2.094 1.00 14.20 C ATOM 0 H ILE A 48 -13.008 -6.708 -1.106 1.00 43.21 H new ATOM 0 HA ILE A 48 -14.964 -5.302 0.418 1.00 31.31 H new ATOM 0 HB ILE A 48 -12.662 -4.293 -1.324 1.00 5.33 H new ATOM 0 HG12 ILE A 48 -11.804 -5.836 0.359 1.00 54.35 H new ATOM 0 HG13 ILE A 48 -11.352 -4.204 0.813 1.00 54.35 H new ATOM 0 HG21 ILE A 48 -12.657 -2.244 0.060 1.00 21.14 H new ATOM 0 HG22 ILE A 48 -14.171 -2.446 -0.853 1.00 21.14 H new ATOM 0 HG23 ILE A 48 -14.127 -2.812 0.888 1.00 21.14 H new ATOM 0 HD11 ILE A 48 -12.032 -5.501 2.763 1.00 14.20 H new ATOM 0 HD12 ILE A 48 -13.162 -4.154 2.486 1.00 14.20 H new ATOM 0 HD13 ILE A 48 -13.621 -5.811 2.024 1.00 14.20 H new ATOM 819 N LYS A 49 -15.128 -5.032 -2.868 1.00 50.44 N ATOM 820 CA LYS A 49 -15.985 -4.624 -4.002 1.00 54.14 C ATOM 821 C LYS A 49 -17.352 -5.312 -3.891 1.00 30.31 C ATOM 822 O LYS A 49 -18.398 -4.694 -4.114 1.00 11.41 O ATOM 823 CB LYS A 49 -15.311 -4.995 -5.344 1.00 31.24 C ATOM 824 CG LYS A 49 -13.883 -4.433 -5.537 1.00 74.34 C ATOM 825 CD LYS A 49 -13.196 -4.973 -6.815 1.00 44.01 C ATOM 826 CE LYS A 49 -13.028 -6.508 -6.794 1.00 40.41 C ATOM 827 NZ LYS A 49 -12.382 -7.020 -8.031 1.00 53.34 N ATOM 0 H LYS A 49 -14.323 -5.595 -3.142 1.00 50.44 H new ATOM 0 HA LYS A 49 -16.124 -3.543 -3.970 1.00 54.14 H new ATOM 0 HB2 LYS A 49 -15.271 -6.081 -5.425 1.00 31.24 H new ATOM 0 HB3 LYS A 49 -15.939 -4.637 -6.160 1.00 31.24 H new ATOM 0 HG2 LYS A 49 -13.929 -3.345 -5.586 1.00 74.34 H new ATOM 0 HG3 LYS A 49 -13.276 -4.688 -4.668 1.00 74.34 H new ATOM 0 HD2 LYS A 49 -13.783 -4.687 -7.688 1.00 44.01 H new ATOM 0 HD3 LYS A 49 -12.217 -4.505 -6.923 1.00 44.01 H new ATOM 0 HE2 LYS A 49 -12.430 -6.794 -5.929 1.00 40.41 H new ATOM 0 HE3 LYS A 49 -14.005 -6.977 -6.676 1.00 40.41 H new ATOM 0 HZ1 LYS A 49 -12.290 -8.054 -7.972 1.00 53.34 H new ATOM 0 HZ2 LYS A 49 -12.965 -6.771 -8.856 1.00 53.34 H new ATOM 0 HZ3 LYS A 49 -11.439 -6.594 -8.132 1.00 53.34 H new ATOM 841 N LYS A 50 -17.301 -6.600 -3.509 1.00 11.34 N ATOM 842 CA LYS A 50 -18.481 -7.459 -3.328 1.00 23.42 C ATOM 843 C LYS A 50 -19.254 -7.046 -2.041 1.00 1.52 C ATOM 844 O LYS A 50 -20.467 -7.264 -1.946 1.00 15.01 O ATOM 845 CB LYS A 50 -17.983 -8.947 -3.323 1.00 70.35 C ATOM 846 CG LYS A 50 -19.063 -10.061 -3.490 1.00 3.21 C ATOM 847 CD LYS A 50 -19.770 -10.473 -2.173 1.00 23.34 C ATOM 848 CE LYS A 50 -18.787 -11.018 -1.121 1.00 1.10 C ATOM 849 NZ LYS A 50 -19.464 -11.361 0.156 1.00 44.01 N ATOM 0 H LYS A 50 -16.422 -7.080 -3.314 1.00 11.34 H new ATOM 0 HA LYS A 50 -19.198 -7.345 -4.141 1.00 23.42 H new ATOM 0 HB2 LYS A 50 -17.253 -9.062 -4.124 1.00 70.35 H new ATOM 0 HB3 LYS A 50 -17.457 -9.124 -2.385 1.00 70.35 H new ATOM 0 HG2 LYS A 50 -19.816 -9.717 -4.199 1.00 3.21 H new ATOM 0 HG3 LYS A 50 -18.593 -10.942 -3.927 1.00 3.21 H new ATOM 0 HD2 LYS A 50 -20.296 -9.611 -1.762 1.00 23.34 H new ATOM 0 HD3 LYS A 50 -20.522 -11.232 -2.390 1.00 23.34 H new ATOM 0 HE2 LYS A 50 -18.290 -11.904 -1.516 1.00 1.10 H new ATOM 0 HE3 LYS A 50 -18.012 -10.275 -0.931 1.00 1.10 H new ATOM 0 HZ1 LYS A 50 -18.763 -11.724 0.834 1.00 44.01 H new ATOM 0 HZ2 LYS A 50 -19.917 -10.511 0.548 1.00 44.01 H new ATOM 0 HZ3 LYS A 50 -20.186 -12.089 -0.018 1.00 44.01 H new ATOM 863 N LEU A 51 -18.546 -6.417 -1.071 1.00 13.14 N ATOM 864 CA LEU A 51 -19.169 -5.842 0.151 1.00 32.54 C ATOM 865 C LEU A 51 -19.891 -4.520 -0.184 1.00 4.01 C ATOM 866 O LEU A 51 -20.922 -4.197 0.419 1.00 25.34 O ATOM 867 CB LEU A 51 -18.114 -5.607 1.282 1.00 75.20 C ATOM 868 CG LEU A 51 -17.467 -6.885 1.910 1.00 50.44 C ATOM 869 CD1 LEU A 51 -16.428 -6.526 2.999 1.00 10.20 C ATOM 870 CD2 LEU A 51 -18.545 -7.843 2.453 1.00 33.20 C ATOM 0 H LEU A 51 -17.534 -6.294 -1.111 1.00 13.14 H new ATOM 0 HA LEU A 51 -19.897 -6.565 0.519 1.00 32.54 H new ATOM 0 HB2 LEU A 51 -17.316 -4.983 0.880 1.00 75.20 H new ATOM 0 HB3 LEU A 51 -18.591 -5.039 2.081 1.00 75.20 H new ATOM 0 HG LEU A 51 -16.931 -7.404 1.115 1.00 50.44 H new ATOM 0 HD11 LEU A 51 -16.001 -7.441 3.411 1.00 10.20 H new ATOM 0 HD12 LEU A 51 -15.635 -5.921 2.560 1.00 10.20 H new ATOM 0 HD13 LEU A 51 -16.915 -5.963 3.795 1.00 10.20 H new ATOM 0 HD21 LEU A 51 -18.067 -8.723 2.884 1.00 33.20 H new ATOM 0 HD22 LEU A 51 -19.130 -7.336 3.220 1.00 33.20 H new ATOM 0 HD23 LEU A 51 -19.203 -8.149 1.639 1.00 33.20 H new ATOM 882 N GLY A 52 -19.335 -3.777 -1.158 1.00 32.51 N ATOM 883 CA GLY A 52 -19.910 -2.514 -1.619 1.00 43.53 C ATOM 884 C GLY A 52 -19.739 -1.380 -0.617 1.00 33.43 C ATOM 885 O GLY A 52 -20.720 -0.762 -0.182 1.00 35.41 O ATOM 0 H GLY A 52 -18.477 -4.040 -1.642 1.00 32.51 H new ATOM 0 HA2 GLY A 52 -19.442 -2.231 -2.562 1.00 43.53 H new ATOM 0 HA3 GLY A 52 -20.972 -2.657 -1.820 1.00 43.53 H new ATOM 889 N CYS A 53 -18.489 -1.138 -0.225 1.00 44.11 N ATOM 890 CA CYS A 53 -18.117 0.001 0.617 1.00 61.33 C ATOM 891 C CYS A 53 -17.667 1.153 -0.292 1.00 55.04 C ATOM 892 O CYS A 53 -16.660 1.013 -0.996 1.00 11.13 O ATOM 893 CB CYS A 53 -16.984 -0.408 1.581 1.00 12.21 C ATOM 894 SG CYS A 53 -17.398 -1.823 2.659 1.00 11.22 S ATOM 0 H CYS A 53 -17.700 -1.730 -0.484 1.00 44.11 H new ATOM 0 HA CYS A 53 -18.970 0.323 1.215 1.00 61.33 H new ATOM 0 HB2 CYS A 53 -16.097 -0.656 0.998 1.00 12.21 H new ATOM 0 HB3 CYS A 53 -16.726 0.447 2.205 1.00 12.21 H new ATOM 899 N LYS A 54 -18.442 2.260 -0.307 1.00 74.24 N ATOM 900 CA LYS A 54 -18.129 3.446 -1.128 1.00 62.40 C ATOM 901 C LYS A 54 -16.804 4.077 -0.667 1.00 13.10 C ATOM 902 O LYS A 54 -15.758 3.840 -1.275 1.00 22.44 O ATOM 903 CB LYS A 54 -19.298 4.473 -1.083 1.00 1.51 C ATOM 904 CG LYS A 54 -20.598 3.989 -1.770 1.00 23.03 C ATOM 905 CD LYS A 54 -21.826 4.921 -1.562 1.00 20.42 C ATOM 906 CE LYS A 54 -21.720 6.313 -2.224 1.00 73.35 C ATOM 907 NZ LYS A 54 -20.773 7.226 -1.529 1.00 21.30 N ATOM 0 H LYS A 54 -19.294 2.355 0.245 1.00 74.24 H new ATOM 0 HA LYS A 54 -18.010 3.134 -2.165 1.00 62.40 H new ATOM 0 HB2 LYS A 54 -19.518 4.710 -0.042 1.00 1.51 H new ATOM 0 HB3 LYS A 54 -18.972 5.398 -1.559 1.00 1.51 H new ATOM 0 HG2 LYS A 54 -20.412 3.888 -2.839 1.00 23.03 H new ATOM 0 HG3 LYS A 54 -20.844 2.996 -1.394 1.00 23.03 H new ATOM 0 HD2 LYS A 54 -22.712 4.419 -1.951 1.00 20.42 H new ATOM 0 HD3 LYS A 54 -21.981 5.057 -0.492 1.00 20.42 H new ATOM 0 HE2 LYS A 54 -21.402 6.192 -3.260 1.00 73.35 H new ATOM 0 HE3 LYS A 54 -22.708 6.773 -2.245 1.00 73.35 H new ATOM 0 HZ1 LYS A 54 -21.258 8.115 -1.293 1.00 21.30 H new ATOM 0 HZ2 LYS A 54 -20.433 6.775 -0.656 1.00 21.30 H new ATOM 0 HZ3 LYS A 54 -19.965 7.427 -2.152 1.00 21.30 H new ATOM 921 N ARG A 55 -16.840 4.835 0.442 1.00 11.24 N ATOM 922 CA ARG A 55 -15.630 5.465 0.981 1.00 2.00 C ATOM 923 C ARG A 55 -14.885 4.458 1.867 1.00 22.35 C ATOM 924 O ARG A 55 -15.446 3.938 2.841 1.00 42.25 O ATOM 925 CB ARG A 55 -15.972 6.755 1.775 1.00 34.10 C ATOM 926 CG ARG A 55 -14.740 7.483 2.376 1.00 13.05 C ATOM 927 CD ARG A 55 -15.077 8.882 2.922 1.00 1.52 C ATOM 928 NE ARG A 55 -15.500 9.813 1.858 1.00 52.41 N ATOM 929 CZ ARG A 55 -14.959 11.026 1.611 1.00 63.23 C ATOM 930 NH1 ARG A 55 -13.939 11.496 2.338 1.00 61.32 N ATOM 931 NH2 ARG A 55 -15.444 11.765 0.620 1.00 71.41 N ATOM 0 H ARG A 55 -17.688 5.023 0.977 1.00 11.24 H new ATOM 0 HA ARG A 55 -14.987 5.758 0.152 1.00 2.00 H new ATOM 0 HB2 ARG A 55 -16.500 7.444 1.116 1.00 34.10 H new ATOM 0 HB3 ARG A 55 -16.657 6.499 2.583 1.00 34.10 H new ATOM 0 HG2 ARG A 55 -14.322 6.876 3.179 1.00 13.05 H new ATOM 0 HG3 ARG A 55 -13.969 7.573 1.611 1.00 13.05 H new ATOM 0 HD2 ARG A 55 -15.871 8.798 3.664 1.00 1.52 H new ATOM 0 HD3 ARG A 55 -14.205 9.290 3.433 1.00 1.52 H new ATOM 0 HE ARG A 55 -16.268 9.515 1.257 1.00 52.41 H new ATOM 0 HH11 ARG A 55 -13.553 10.935 3.098 1.00 61.32 H new ATOM 0 HH12 ARG A 55 -13.547 12.415 2.133 1.00 61.32 H new ATOM 0 HH21 ARG A 55 -16.217 11.415 0.054 1.00 71.41 H new ATOM 0 HH22 ARG A 55 -15.043 12.682 0.425 1.00 71.41 H new ATOM 945 N VAL A 56 -13.631 4.181 1.499 1.00 24.14 N ATOM 946 CA VAL A 56 -12.704 3.353 2.280 1.00 43.10 C ATOM 947 C VAL A 56 -11.412 4.147 2.507 1.00 64.14 C ATOM 948 O VAL A 56 -10.945 4.871 1.611 1.00 45.44 O ATOM 949 CB VAL A 56 -12.374 1.966 1.585 1.00 2.10 C ATOM 950 CG1 VAL A 56 -13.620 1.054 1.503 1.00 5.45 C ATOM 951 CG2 VAL A 56 -11.739 2.157 0.185 1.00 52.32 C ATOM 0 H VAL A 56 -13.222 4.532 0.633 1.00 24.14 H new ATOM 0 HA VAL A 56 -13.187 3.114 3.227 1.00 43.10 H new ATOM 0 HB VAL A 56 -11.638 1.469 2.217 1.00 2.10 H new ATOM 0 HG11 VAL A 56 -13.352 0.114 1.021 1.00 5.45 H new ATOM 0 HG12 VAL A 56 -13.991 0.853 2.508 1.00 5.45 H new ATOM 0 HG13 VAL A 56 -14.397 1.551 0.922 1.00 5.45 H new ATOM 0 HG21 VAL A 56 -11.529 1.182 -0.255 1.00 52.32 H new ATOM 0 HG22 VAL A 56 -12.430 2.704 -0.457 1.00 52.32 H new ATOM 0 HG23 VAL A 56 -10.810 2.720 0.280 1.00 52.32 H new ATOM 961 N ARG A 57 -10.875 4.057 3.726 1.00 0.32 N ATOM 962 CA ARG A 57 -9.542 4.558 4.046 1.00 40.44 C ATOM 963 C ARG A 57 -8.597 3.356 4.123 1.00 13.13 C ATOM 964 O ARG A 57 -8.723 2.507 5.020 1.00 53.32 O ATOM 965 CB ARG A 57 -9.533 5.363 5.375 1.00 31.20 C ATOM 966 CG ARG A 57 -8.136 5.916 5.743 1.00 14.24 C ATOM 967 CD ARG A 57 -8.075 6.652 7.091 1.00 42.34 C ATOM 968 NE ARG A 57 -6.695 7.080 7.394 1.00 44.33 N ATOM 969 CZ ARG A 57 -6.339 8.075 8.223 1.00 4.10 C ATOM 970 NH1 ARG A 57 -7.254 8.790 8.884 1.00 15.24 N ATOM 971 NH2 ARG A 57 -5.050 8.375 8.353 1.00 4.32 N ATOM 0 H ARG A 57 -11.356 3.633 4.519 1.00 0.32 H new ATOM 0 HA ARG A 57 -9.214 5.249 3.269 1.00 40.44 H new ATOM 0 HB2 ARG A 57 -10.235 6.193 5.294 1.00 31.20 H new ATOM 0 HB3 ARG A 57 -9.887 4.723 6.183 1.00 31.20 H new ATOM 0 HG2 ARG A 57 -7.426 5.089 5.763 1.00 14.24 H new ATOM 0 HG3 ARG A 57 -7.810 6.597 4.957 1.00 14.24 H new ATOM 0 HD2 ARG A 57 -8.733 7.521 7.066 1.00 42.34 H new ATOM 0 HD3 ARG A 57 -8.440 5.999 7.884 1.00 42.34 H new ATOM 0 HE ARG A 57 -5.941 6.573 6.930 1.00 44.33 H new ATOM 0 HH11 ARG A 57 -8.246 8.585 8.764 1.00 15.24 H new ATOM 0 HH12 ARG A 57 -6.961 9.541 9.509 1.00 15.24 H new ATOM 0 HH21 ARG A 57 -4.349 7.852 7.827 1.00 4.32 H new ATOM 0 HH22 ARG A 57 -4.762 9.128 8.978 1.00 4.32 H new ATOM 985 N ILE A 58 -7.711 3.254 3.132 1.00 23.41 N ATOM 986 CA ILE A 58 -6.648 2.253 3.099 1.00 42.34 C ATOM 987 C ILE A 58 -5.382 2.930 3.656 1.00 54.22 C ATOM 988 O ILE A 58 -4.735 3.719 2.968 1.00 44.14 O ATOM 989 CB ILE A 58 -6.384 1.744 1.621 1.00 44.51 C ATOM 990 CG1 ILE A 58 -7.721 1.345 0.915 1.00 54.03 C ATOM 991 CG2 ILE A 58 -5.379 0.562 1.620 1.00 23.30 C ATOM 992 CD1 ILE A 58 -7.586 0.953 -0.551 1.00 62.21 C ATOM 0 H ILE A 58 -7.713 3.872 2.321 1.00 23.41 H new ATOM 0 HA ILE A 58 -6.930 1.383 3.692 1.00 42.34 H new ATOM 0 HB ILE A 58 -5.943 2.565 1.055 1.00 44.51 H new ATOM 0 HG12 ILE A 58 -8.166 0.511 1.458 1.00 54.03 H new ATOM 0 HG13 ILE A 58 -8.416 2.181 0.989 1.00 54.03 H new ATOM 0 HG21 ILE A 58 -5.212 0.228 0.596 1.00 23.30 H new ATOM 0 HG22 ILE A 58 -4.434 0.888 2.054 1.00 23.30 H new ATOM 0 HG23 ILE A 58 -5.784 -0.261 2.209 1.00 23.30 H new ATOM 0 HD11 ILE A 58 -8.567 0.694 -0.950 1.00 62.21 H new ATOM 0 HD12 ILE A 58 -7.174 1.790 -1.115 1.00 62.21 H new ATOM 0 HD13 ILE A 58 -6.920 0.094 -0.638 1.00 62.21 H new ATOM 1004 N SER A 59 -5.052 2.632 4.914 1.00 72.14 N ATOM 1005 CA SER A 59 -3.888 3.182 5.601 1.00 31.24 C ATOM 1006 C SER A 59 -2.786 2.116 5.572 1.00 24.01 C ATOM 1007 O SER A 59 -2.845 1.118 6.306 1.00 75.41 O ATOM 1008 CB SER A 59 -4.287 3.554 7.054 1.00 70.42 C ATOM 1009 OG SER A 59 -5.403 4.429 7.065 1.00 41.13 O ATOM 0 H SER A 59 -5.597 1.991 5.491 1.00 72.14 H new ATOM 0 HA SER A 59 -3.523 4.087 5.116 1.00 31.24 H new ATOM 0 HB2 SER A 59 -4.524 2.649 7.613 1.00 70.42 H new ATOM 0 HB3 SER A 59 -3.444 4.028 7.557 1.00 70.42 H new ATOM 0 HG SER A 59 -5.638 4.648 7.991 1.00 41.13 H new ATOM 1015 N ILE A 60 -1.811 2.308 4.679 1.00 20.22 N ATOM 1016 CA ILE A 60 -0.698 1.370 4.485 1.00 11.30 C ATOM 1017 C ILE A 60 0.559 1.929 5.162 1.00 63.21 C ATOM 1018 O ILE A 60 1.025 3.017 4.821 1.00 71.33 O ATOM 1019 CB ILE A 60 -0.443 1.107 2.955 1.00 71.04 C ATOM 1020 CG1 ILE A 60 -1.667 0.380 2.316 1.00 33.45 C ATOM 1021 CG2 ILE A 60 0.873 0.327 2.710 1.00 73.34 C ATOM 1022 CD1 ILE A 60 -1.551 0.115 0.822 1.00 50.13 C ATOM 0 H ILE A 60 -1.770 3.122 4.066 1.00 20.22 H new ATOM 0 HA ILE A 60 -0.954 0.414 4.941 1.00 11.30 H new ATOM 0 HB ILE A 60 -0.326 2.074 2.467 1.00 71.04 H new ATOM 0 HG12 ILE A 60 -1.813 -0.571 2.828 1.00 33.45 H new ATOM 0 HG13 ILE A 60 -2.560 0.979 2.495 1.00 33.45 H new ATOM 0 HG21 ILE A 60 1.008 0.168 1.640 1.00 73.34 H new ATOM 0 HG22 ILE A 60 1.714 0.900 3.101 1.00 73.34 H new ATOM 0 HG23 ILE A 60 0.824 -0.637 3.217 1.00 73.34 H new ATOM 0 HD11 ILE A 60 -2.449 -0.393 0.472 1.00 50.13 H new ATOM 0 HD12 ILE A 60 -1.439 1.061 0.292 1.00 50.13 H new ATOM 0 HD13 ILE A 60 -0.681 -0.513 0.630 1.00 50.13 H new ATOM 1034 N ARG A 61 1.075 1.189 6.142 1.00 35.10 N ATOM 1035 CA ARG A 61 2.320 1.526 6.835 1.00 61.44 C ATOM 1036 C ARG A 61 3.396 0.539 6.405 1.00 43.34 C ATOM 1037 O ARG A 61 3.263 -0.662 6.629 1.00 52.21 O ATOM 1038 CB ARG A 61 2.117 1.464 8.364 1.00 54.33 C ATOM 1039 CG ARG A 61 1.071 2.456 8.896 1.00 52.22 C ATOM 1040 CD ARG A 61 0.991 2.476 10.427 1.00 54.12 C ATOM 1041 NE ARG A 61 0.673 1.146 10.980 1.00 34.15 N ATOM 1042 CZ ARG A 61 0.132 0.915 12.184 1.00 12.11 C ATOM 1043 NH1 ARG A 61 -0.183 1.913 13.006 1.00 23.50 N ATOM 1044 NH2 ARG A 61 -0.060 -0.328 12.572 1.00 71.21 N ATOM 0 H ARG A 61 0.638 0.332 6.481 1.00 35.10 H new ATOM 0 HA ARG A 61 2.623 2.540 6.576 1.00 61.44 H new ATOM 0 HB2 ARG A 61 1.817 0.453 8.640 1.00 54.33 H new ATOM 0 HB3 ARG A 61 3.070 1.659 8.855 1.00 54.33 H new ATOM 0 HG2 ARG A 61 1.311 3.457 8.537 1.00 52.22 H new ATOM 0 HG3 ARG A 61 0.093 2.198 8.490 1.00 52.22 H new ATOM 0 HD2 ARG A 61 1.941 2.821 10.835 1.00 54.12 H new ATOM 0 HD3 ARG A 61 0.230 3.191 10.741 1.00 54.12 H new ATOM 0 HE ARG A 61 0.882 0.335 10.398 1.00 34.15 H new ATOM 0 HH11 ARG A 61 -0.014 2.879 12.724 1.00 23.50 H new ATOM 0 HH12 ARG A 61 -0.594 1.712 13.918 1.00 23.50 H new ATOM 0 HH21 ARG A 61 0.202 -1.100 11.959 1.00 71.21 H new ATOM 0 HH22 ARG A 61 -0.471 -0.519 13.486 1.00 71.21 H new ATOM 1058 N VAL A 62 4.463 1.049 5.792 1.00 74.33 N ATOM 1059 CA VAL A 62 5.594 0.221 5.371 1.00 32.32 C ATOM 1060 C VAL A 62 6.631 0.226 6.497 1.00 65.21 C ATOM 1061 O VAL A 62 6.870 1.260 7.142 1.00 13.44 O ATOM 1062 CB VAL A 62 6.237 0.726 4.020 1.00 32.12 C ATOM 1063 CG1 VAL A 62 6.724 2.194 4.113 1.00 41.12 C ATOM 1064 CG2 VAL A 62 7.379 -0.219 3.548 1.00 4.33 C ATOM 0 H VAL A 62 4.569 2.040 5.574 1.00 74.33 H new ATOM 0 HA VAL A 62 5.239 -0.792 5.180 1.00 32.32 H new ATOM 0 HB VAL A 62 5.449 0.701 3.268 1.00 32.12 H new ATOM 0 HG11 VAL A 62 7.158 2.494 3.159 1.00 41.12 H new ATOM 0 HG12 VAL A 62 5.880 2.843 4.348 1.00 41.12 H new ATOM 0 HG13 VAL A 62 7.477 2.279 4.897 1.00 41.12 H new ATOM 0 HG21 VAL A 62 7.800 0.157 2.616 1.00 4.33 H new ATOM 0 HG22 VAL A 62 8.158 -0.256 4.309 1.00 4.33 H new ATOM 0 HG23 VAL A 62 6.980 -1.221 3.388 1.00 4.33 H new ATOM 1074 N LYS A 63 7.205 -0.945 6.763 1.00 72.41 N ATOM 1075 CA LYS A 63 8.294 -1.085 7.713 1.00 25.14 C ATOM 1076 C LYS A 63 9.575 -0.658 7.003 1.00 12.55 C ATOM 1077 O LYS A 63 10.021 -1.318 6.055 1.00 42.20 O ATOM 1078 CB LYS A 63 8.386 -2.542 8.213 1.00 54.22 C ATOM 1079 CG LYS A 63 7.202 -3.038 9.096 1.00 75.22 C ATOM 1080 CD LYS A 63 6.973 -2.240 10.416 1.00 4.32 C ATOM 1081 CE LYS A 63 5.954 -1.092 10.288 1.00 73.44 C ATOM 1082 NZ LYS A 63 5.712 -0.416 11.592 1.00 12.43 N ATOM 0 H LYS A 63 6.924 -1.821 6.323 1.00 72.41 H new ATOM 0 HA LYS A 63 8.129 -0.459 8.590 1.00 25.14 H new ATOM 0 HB2 LYS A 63 8.466 -3.198 7.346 1.00 54.22 H new ATOM 0 HB3 LYS A 63 9.309 -2.652 8.783 1.00 54.22 H new ATOM 0 HG2 LYS A 63 6.288 -2.998 8.504 1.00 75.22 H new ATOM 0 HG3 LYS A 63 7.373 -4.084 9.349 1.00 75.22 H new ATOM 0 HD2 LYS A 63 6.633 -2.928 11.190 1.00 4.32 H new ATOM 0 HD3 LYS A 63 7.926 -1.830 10.750 1.00 4.32 H new ATOM 0 HE2 LYS A 63 6.317 -0.363 9.563 1.00 73.44 H new ATOM 0 HE3 LYS A 63 5.013 -1.483 9.902 1.00 73.44 H new ATOM 0 HZ1 LYS A 63 5.021 0.350 11.463 1.00 12.43 H new ATOM 0 HZ2 LYS A 63 5.341 -1.105 12.277 1.00 12.43 H new ATOM 0 HZ3 LYS A 63 6.605 -0.020 11.949 1.00 12.43 H new ATOM 1096 N HIS A 64 10.109 0.493 7.428 1.00 13.23 N ATOM 1097 CA HIS A 64 11.290 1.109 6.818 1.00 51.23 C ATOM 1098 C HIS A 64 12.545 0.343 7.265 1.00 51.12 C ATOM 1099 O HIS A 64 12.619 -0.104 8.416 1.00 3.21 O ATOM 1100 CB HIS A 64 11.360 2.605 7.218 1.00 23.22 C ATOM 1101 CG HIS A 64 10.097 3.370 6.897 1.00 3.13 C ATOM 1102 ND1 HIS A 64 9.074 3.551 7.807 1.00 72.31 N ATOM 1103 CD2 HIS A 64 9.700 4.005 5.767 1.00 4.55 C ATOM 1104 CE1 HIS A 64 8.106 4.253 7.249 1.00 12.11 C ATOM 1105 NE2 HIS A 64 8.461 4.544 6.011 1.00 74.11 N ATOM 0 H HIS A 64 9.730 1.026 8.211 1.00 13.23 H new ATOM 0 HA HIS A 64 11.227 1.057 5.731 1.00 51.23 H new ATOM 0 HB2 HIS A 64 11.559 2.679 8.287 1.00 23.22 H new ATOM 0 HB3 HIS A 64 12.200 3.072 6.704 1.00 23.22 H new ATOM 0 HD2 HIS A 64 10.256 4.074 4.844 1.00 4.55 H new ATOM 0 HE1 HIS A 64 7.180 4.541 7.724 1.00 12.11 H new ATOM 0 HE2 HIS A 64 7.906 5.081 5.345 1.00 74.11 H new ATOM 1114 N SER A 65 13.501 0.202 6.333 1.00 33.43 N ATOM 1115 CA SER A 65 14.695 -0.660 6.477 1.00 1.42 C ATOM 1116 C SER A 65 15.492 -0.404 7.779 1.00 21.22 C ATOM 1117 O SER A 65 15.930 -1.353 8.449 1.00 24.20 O ATOM 1118 CB SER A 65 15.584 -0.440 5.238 1.00 71.41 C ATOM 1119 OG SER A 65 14.856 -0.697 4.048 1.00 24.32 O ATOM 0 H SER A 65 13.469 0.692 5.439 1.00 33.43 H new ATOM 0 HA SER A 65 14.364 -1.696 6.547 1.00 1.42 H new ATOM 0 HB2 SER A 65 15.957 0.584 5.229 1.00 71.41 H new ATOM 0 HB3 SER A 65 16.454 -1.095 5.287 1.00 71.41 H new ATOM 0 HG SER A 65 14.846 0.109 3.490 1.00 24.32 H new ATOM 1125 N ASP A 66 15.622 0.880 8.138 1.00 24.02 N ATOM 1126 CA ASP A 66 16.438 1.345 9.285 1.00 73.15 C ATOM 1127 C ASP A 66 16.127 2.834 9.543 1.00 2.55 C ATOM 1128 O ASP A 66 15.513 3.480 8.694 1.00 53.24 O ATOM 1129 CB ASP A 66 17.946 1.096 8.973 1.00 44.14 C ATOM 1130 CG ASP A 66 18.941 1.718 9.959 1.00 2.24 C ATOM 1131 OD1 ASP A 66 18.932 1.345 11.151 1.00 4.34 O ATOM 1132 OD2 ASP A 66 19.719 2.605 9.557 1.00 71.43 O ATOM 0 H ASP A 66 15.161 1.640 7.639 1.00 24.02 H new ATOM 0 HA ASP A 66 16.196 0.792 10.192 1.00 73.15 H new ATOM 0 HB2 ASP A 66 18.119 0.020 8.941 1.00 44.14 H new ATOM 0 HB3 ASP A 66 18.160 1.483 7.977 1.00 44.14 H new ATOM 1137 N ALA A 67 16.523 3.362 10.724 1.00 63.35 N ATOM 1138 CA ALA A 67 16.255 4.766 11.112 1.00 12.30 C ATOM 1139 C ALA A 67 17.168 5.776 10.371 1.00 74.44 C ATOM 1140 O ALA A 67 16.792 6.941 10.205 1.00 72.13 O ATOM 1141 CB ALA A 67 16.368 4.934 12.637 1.00 51.32 C ATOM 0 H ALA A 67 17.033 2.831 11.430 1.00 63.35 H new ATOM 0 HA ALA A 67 15.233 4.993 10.808 1.00 12.30 H new ATOM 0 HB1 ALA A 67 16.168 5.972 12.905 1.00 51.32 H new ATOM 0 HB2 ALA A 67 15.643 4.286 13.129 1.00 51.32 H new ATOM 0 HB3 ALA A 67 17.373 4.663 12.959 1.00 51.32 H new ATOM 1147 N ALA A 68 18.369 5.335 9.939 1.00 20.54 N ATOM 1148 CA ALA A 68 19.248 6.148 9.067 1.00 22.24 C ATOM 1149 C ALA A 68 18.772 6.038 7.609 1.00 31.15 C ATOM 1150 O ALA A 68 18.748 7.035 6.870 1.00 70.54 O ATOM 1151 CB ALA A 68 20.713 5.703 9.202 1.00 75.33 C ATOM 0 H ALA A 68 18.753 4.421 10.179 1.00 20.54 H new ATOM 0 HA ALA A 68 19.191 7.191 9.378 1.00 22.24 H new ATOM 0 HB1 ALA A 68 21.340 6.314 8.553 1.00 75.33 H new ATOM 0 HB2 ALA A 68 21.036 5.823 10.236 1.00 75.33 H new ATOM 0 HB3 ALA A 68 20.803 4.656 8.913 1.00 75.33 H new ATOM 1157 N GLU A 69 18.378 4.802 7.217 1.00 14.21 N ATOM 1158 CA GLU A 69 17.802 4.512 5.885 1.00 10.13 C ATOM 1159 C GLU A 69 16.390 5.114 5.732 1.00 30.13 C ATOM 1160 O GLU A 69 15.925 5.250 4.619 1.00 34.25 O ATOM 1161 CB GLU A 69 17.758 2.980 5.602 1.00 73.14 C ATOM 1162 CG GLU A 69 19.140 2.296 5.583 1.00 31.24 C ATOM 1163 CD GLU A 69 19.078 0.824 5.136 1.00 24.23 C ATOM 1164 OE1 GLU A 69 19.134 0.561 3.915 1.00 40.02 O ATOM 1165 OE2 GLU A 69 18.954 -0.070 5.997 1.00 13.25 O ATOM 0 H GLU A 69 18.451 3.980 7.816 1.00 14.21 H new ATOM 0 HA GLU A 69 18.458 4.982 5.152 1.00 10.13 H new ATOM 0 HB2 GLU A 69 17.139 2.500 6.360 1.00 73.14 H new ATOM 0 HB3 GLU A 69 17.271 2.814 4.641 1.00 73.14 H new ATOM 0 HG2 GLU A 69 19.802 2.845 4.913 1.00 31.24 H new ATOM 0 HG3 GLU A 69 19.579 2.349 6.579 1.00 31.24 H new ATOM 1172 N GLU A 70 15.747 5.466 6.867 1.00 31.02 N ATOM 1173 CA GLU A 70 14.383 6.060 6.939 1.00 62.03 C ATOM 1174 C GLU A 70 14.215 7.262 5.979 1.00 34.02 C ATOM 1175 O GLU A 70 13.217 7.363 5.256 1.00 75.05 O ATOM 1176 CB GLU A 70 14.122 6.501 8.413 1.00 21.50 C ATOM 1177 CG GLU A 70 12.803 7.248 8.694 1.00 12.31 C ATOM 1178 CD GLU A 70 11.548 6.434 8.338 1.00 72.43 C ATOM 1179 OE1 GLU A 70 11.175 5.540 9.126 1.00 44.31 O ATOM 1180 OE2 GLU A 70 10.927 6.683 7.287 1.00 5.34 O ATOM 0 H GLU A 70 16.170 5.344 7.787 1.00 31.02 H new ATOM 0 HA GLU A 70 13.657 5.310 6.626 1.00 62.03 H new ATOM 0 HB2 GLU A 70 14.149 5.612 9.043 1.00 21.50 H new ATOM 0 HB3 GLU A 70 14.947 7.140 8.727 1.00 21.50 H new ATOM 0 HG2 GLU A 70 12.765 7.516 9.750 1.00 12.31 H new ATOM 0 HG3 GLU A 70 12.795 8.179 8.128 1.00 12.31 H new ATOM 1187 N LYS A 71 15.245 8.124 5.976 1.00 73.20 N ATOM 1188 CA LYS A 71 15.302 9.358 5.172 1.00 54.25 C ATOM 1189 C LYS A 71 15.245 9.048 3.663 1.00 72.35 C ATOM 1190 O LYS A 71 14.617 9.778 2.893 1.00 72.11 O ATOM 1191 CB LYS A 71 16.603 10.124 5.533 1.00 65.13 C ATOM 1192 CG LYS A 71 16.685 10.578 7.016 1.00 1.12 C ATOM 1193 CD LYS A 71 18.090 11.086 7.419 1.00 31.02 C ATOM 1194 CE LYS A 71 18.610 12.225 6.521 1.00 44.34 C ATOM 1195 NZ LYS A 71 17.677 13.384 6.478 1.00 53.44 N ATOM 0 H LYS A 71 16.080 7.980 6.544 1.00 73.20 H new ATOM 0 HA LYS A 71 14.435 9.978 5.400 1.00 54.25 H new ATOM 0 HB2 LYS A 71 17.459 9.487 5.312 1.00 65.13 H new ATOM 0 HB3 LYS A 71 16.684 11.001 4.891 1.00 65.13 H new ATOM 0 HG2 LYS A 71 15.956 11.370 7.188 1.00 1.12 H new ATOM 0 HG3 LYS A 71 16.408 9.744 7.661 1.00 1.12 H new ATOM 0 HD2 LYS A 71 18.060 11.433 8.452 1.00 31.02 H new ATOM 0 HD3 LYS A 71 18.793 10.254 7.382 1.00 31.02 H new ATOM 0 HE2 LYS A 71 19.582 12.557 6.886 1.00 44.34 H new ATOM 0 HE3 LYS A 71 18.762 11.847 5.510 1.00 44.34 H new ATOM 0 HZ1 LYS A 71 18.094 14.144 5.903 1.00 53.44 H new ATOM 0 HZ2 LYS A 71 16.773 13.087 6.057 1.00 53.44 H new ATOM 0 HZ3 LYS A 71 17.511 13.732 7.444 1.00 53.44 H new ATOM 1209 N LYS A 72 15.902 7.942 3.275 1.00 53.32 N ATOM 1210 CA LYS A 72 15.931 7.458 1.888 1.00 21.52 C ATOM 1211 C LYS A 72 14.680 6.614 1.565 1.00 44.53 C ATOM 1212 O LYS A 72 14.094 6.765 0.499 1.00 15.05 O ATOM 1213 CB LYS A 72 17.225 6.608 1.662 1.00 53.13 C ATOM 1214 CG LYS A 72 17.500 6.104 0.212 1.00 20.51 C ATOM 1215 CD LYS A 72 18.115 7.162 -0.751 1.00 52.54 C ATOM 1216 CE LYS A 72 17.132 8.252 -1.227 1.00 3.32 C ATOM 1217 NZ LYS A 72 17.788 9.222 -2.147 1.00 2.21 N ATOM 0 H LYS A 72 16.431 7.356 3.921 1.00 53.32 H new ATOM 0 HA LYS A 72 15.935 8.319 1.220 1.00 21.52 H new ATOM 0 HB2 LYS A 72 18.081 7.203 1.981 1.00 53.13 H new ATOM 0 HB3 LYS A 72 17.178 5.739 2.319 1.00 53.13 H new ATOM 0 HG2 LYS A 72 18.173 5.248 0.263 1.00 20.51 H new ATOM 0 HG3 LYS A 72 16.563 5.748 -0.216 1.00 20.51 H new ATOM 0 HD2 LYS A 72 18.955 7.644 -0.250 1.00 52.54 H new ATOM 0 HD3 LYS A 72 18.516 6.648 -1.624 1.00 52.54 H new ATOM 0 HE2 LYS A 72 16.288 7.784 -1.733 1.00 3.32 H new ATOM 0 HE3 LYS A 72 16.732 8.783 -0.363 1.00 3.32 H new ATOM 0 HZ1 LYS A 72 17.097 9.939 -2.446 1.00 2.21 H new ATOM 0 HZ2 LYS A 72 18.578 9.686 -1.656 1.00 2.21 H new ATOM 0 HZ3 LYS A 72 18.148 8.719 -2.983 1.00 2.21 H new ATOM 1231 N GLU A 73 14.258 5.788 2.536 1.00 70.32 N ATOM 1232 CA GLU A 73 13.350 4.648 2.308 1.00 14.20 C ATOM 1233 C GLU A 73 11.909 5.118 2.129 1.00 73.33 C ATOM 1234 O GLU A 73 11.212 4.651 1.229 1.00 34.24 O ATOM 1235 CB GLU A 73 13.455 3.638 3.491 1.00 32.13 C ATOM 1236 CG GLU A 73 12.735 2.285 3.274 1.00 51.14 C ATOM 1237 CD GLU A 73 13.172 1.559 1.980 1.00 74.21 C ATOM 1238 OE1 GLU A 73 14.379 1.252 1.840 1.00 34.34 O ATOM 1239 OE2 GLU A 73 12.321 1.298 1.101 1.00 53.33 O ATOM 0 H GLU A 73 14.539 5.892 3.511 1.00 70.32 H new ATOM 0 HA GLU A 73 13.652 4.148 1.388 1.00 14.20 H new ATOM 0 HB2 GLU A 73 14.509 3.442 3.687 1.00 32.13 H new ATOM 0 HB3 GLU A 73 13.047 4.108 4.386 1.00 32.13 H new ATOM 0 HG2 GLU A 73 12.929 1.637 4.129 1.00 51.14 H new ATOM 0 HG3 GLU A 73 11.659 2.455 3.241 1.00 51.14 H new ATOM 1246 N ALA A 74 11.486 6.049 2.997 1.00 0.41 N ATOM 1247 CA ALA A 74 10.130 6.615 2.970 1.00 13.41 C ATOM 1248 C ALA A 74 9.892 7.389 1.668 1.00 13.30 C ATOM 1249 O ALA A 74 8.884 7.182 0.992 1.00 71.11 O ATOM 1250 CB ALA A 74 9.926 7.518 4.188 1.00 41.41 C ATOM 0 H ALA A 74 12.075 6.430 3.737 1.00 0.41 H new ATOM 0 HA ALA A 74 9.404 5.803 3.010 1.00 13.41 H new ATOM 0 HB1 ALA A 74 8.920 7.937 4.166 1.00 41.41 H new ATOM 0 HB2 ALA A 74 10.056 6.935 5.099 1.00 41.41 H new ATOM 0 HB3 ALA A 74 10.656 8.327 4.168 1.00 41.41 H new ATOM 1256 N LYS A 75 10.859 8.267 1.339 1.00 61.01 N ATOM 1257 CA LYS A 75 10.829 9.125 0.141 1.00 53.13 C ATOM 1258 C LYS A 75 10.803 8.284 -1.163 1.00 14.32 C ATOM 1259 O LYS A 75 10.029 8.572 -2.089 1.00 10.32 O ATOM 1260 CB LYS A 75 12.061 10.080 0.166 1.00 61.33 C ATOM 1261 CG LYS A 75 12.035 11.213 -0.894 1.00 55.51 C ATOM 1262 CD LYS A 75 10.803 12.137 -0.733 1.00 71.34 C ATOM 1263 CE LYS A 75 10.725 13.245 -1.793 1.00 13.44 C ATOM 1264 NZ LYS A 75 9.432 13.980 -1.707 1.00 21.54 N ATOM 0 H LYS A 75 11.695 8.401 1.907 1.00 61.01 H new ATOM 0 HA LYS A 75 9.913 9.715 0.154 1.00 53.13 H new ATOM 0 HB2 LYS A 75 12.132 10.531 1.156 1.00 61.33 H new ATOM 0 HB3 LYS A 75 12.964 9.487 0.020 1.00 61.33 H new ATOM 0 HG2 LYS A 75 12.945 11.807 -0.811 1.00 55.51 H new ATOM 0 HG3 LYS A 75 12.030 10.774 -1.892 1.00 55.51 H new ATOM 0 HD2 LYS A 75 9.897 11.533 -0.783 1.00 71.34 H new ATOM 0 HD3 LYS A 75 10.828 12.593 0.257 1.00 71.34 H new ATOM 0 HE2 LYS A 75 11.552 13.941 -1.657 1.00 13.44 H new ATOM 0 HE3 LYS A 75 10.834 12.810 -2.787 1.00 13.44 H new ATOM 0 HZ1 LYS A 75 9.406 14.723 -2.434 1.00 21.54 H new ATOM 0 HZ2 LYS A 75 8.645 13.317 -1.860 1.00 21.54 H new ATOM 0 HZ3 LYS A 75 9.341 14.414 -0.766 1.00 21.54 H new ATOM 1278 N LYS A 76 11.651 7.232 -1.194 1.00 2.14 N ATOM 1279 CA LYS A 76 11.789 6.299 -2.335 1.00 2.12 C ATOM 1280 C LYS A 76 10.474 5.526 -2.550 1.00 71.45 C ATOM 1281 O LYS A 76 9.926 5.501 -3.658 1.00 61.21 O ATOM 1282 CB LYS A 76 12.994 5.334 -2.049 1.00 41.35 C ATOM 1283 CG LYS A 76 13.478 4.387 -3.200 1.00 15.41 C ATOM 1284 CD LYS A 76 12.613 3.119 -3.435 1.00 72.21 C ATOM 1285 CE LYS A 76 12.379 2.276 -2.164 1.00 55.01 C ATOM 1286 NZ LYS A 76 13.645 1.848 -1.510 1.00 2.21 N ATOM 0 H LYS A 76 12.268 7.004 -0.415 1.00 2.14 H new ATOM 0 HA LYS A 76 11.992 6.848 -3.254 1.00 2.12 H new ATOM 0 HB2 LYS A 76 13.843 5.945 -1.742 1.00 41.35 H new ATOM 0 HB3 LYS A 76 12.725 4.710 -1.196 1.00 41.35 H new ATOM 0 HG2 LYS A 76 13.511 4.959 -4.127 1.00 15.41 H new ATOM 0 HG3 LYS A 76 14.499 4.073 -2.983 1.00 15.41 H new ATOM 0 HD2 LYS A 76 11.648 3.420 -3.842 1.00 72.21 H new ATOM 0 HD3 LYS A 76 13.096 2.496 -4.188 1.00 72.21 H new ATOM 0 HE2 LYS A 76 11.787 2.855 -1.455 1.00 55.01 H new ATOM 0 HE3 LYS A 76 11.793 1.394 -2.422 1.00 55.01 H new ATOM 0 HZ1 LYS A 76 13.429 1.389 -0.602 1.00 2.21 H new ATOM 0 HZ2 LYS A 76 14.145 1.176 -2.127 1.00 2.21 H new ATOM 0 HZ3 LYS A 76 14.248 2.679 -1.343 1.00 2.21 H new ATOM 1300 N PHE A 77 9.965 4.937 -1.455 1.00 62.41 N ATOM 1301 CA PHE A 77 8.825 4.006 -1.491 1.00 34.51 C ATOM 1302 C PHE A 77 7.496 4.765 -1.703 1.00 62.24 C ATOM 1303 O PHE A 77 6.536 4.193 -2.215 1.00 25.55 O ATOM 1304 CB PHE A 77 8.804 3.149 -0.191 1.00 11.24 C ATOM 1305 CG PHE A 77 7.980 1.868 -0.293 1.00 74.32 C ATOM 1306 CD1 PHE A 77 8.464 0.773 -1.012 1.00 14.24 C ATOM 1307 CD2 PHE A 77 6.733 1.749 0.317 1.00 53.33 C ATOM 1308 CE1 PHE A 77 7.724 -0.387 -1.118 1.00 52.15 C ATOM 1309 CE2 PHE A 77 5.996 0.583 0.211 1.00 74.32 C ATOM 1310 CZ PHE A 77 6.490 -0.483 -0.506 1.00 13.52 C ATOM 0 H PHE A 77 10.334 5.094 -0.517 1.00 62.41 H new ATOM 0 HA PHE A 77 8.942 3.332 -2.340 1.00 34.51 H new ATOM 0 HB2 PHE A 77 9.828 2.887 0.074 1.00 11.24 H new ATOM 0 HB3 PHE A 77 8.410 3.756 0.624 1.00 11.24 H new ATOM 0 HD1 PHE A 77 9.430 0.835 -1.491 1.00 14.24 H new ATOM 0 HD2 PHE A 77 6.336 2.580 0.881 1.00 53.33 H new ATOM 0 HE1 PHE A 77 8.111 -1.223 -1.682 1.00 52.15 H new ATOM 0 HE2 PHE A 77 5.032 0.509 0.692 1.00 74.32 H new ATOM 0 HZ PHE A 77 5.914 -1.393 -0.590 1.00 13.52 H new ATOM 1320 N ALA A 78 7.477 6.057 -1.325 1.00 45.34 N ATOM 1321 CA ALA A 78 6.333 6.959 -1.557 1.00 14.03 C ATOM 1322 C ALA A 78 6.077 7.138 -3.060 1.00 72.12 C ATOM 1323 O ALA A 78 4.922 7.107 -3.516 1.00 52.20 O ATOM 1324 CB ALA A 78 6.595 8.313 -0.889 1.00 15.53 C ATOM 0 H ALA A 78 8.258 6.507 -0.848 1.00 45.34 H new ATOM 0 HA ALA A 78 5.441 6.514 -1.116 1.00 14.03 H new ATOM 0 HB1 ALA A 78 5.747 8.975 -1.064 1.00 15.53 H new ATOM 0 HB2 ALA A 78 6.729 8.170 0.183 1.00 15.53 H new ATOM 0 HB3 ALA A 78 7.496 8.759 -1.311 1.00 15.53 H new ATOM 1330 N ALA A 79 7.180 7.307 -3.814 1.00 54.03 N ATOM 1331 CA ALA A 79 7.149 7.438 -5.276 1.00 72.21 C ATOM 1332 C ALA A 79 6.678 6.125 -5.946 1.00 24.22 C ATOM 1333 O ALA A 79 5.955 6.162 -6.946 1.00 4.13 O ATOM 1334 CB ALA A 79 8.540 7.852 -5.785 1.00 24.11 C ATOM 0 H ALA A 79 8.120 7.356 -3.420 1.00 54.03 H new ATOM 0 HA ALA A 79 6.430 8.212 -5.544 1.00 72.21 H new ATOM 0 HB1 ALA A 79 8.516 7.949 -6.870 1.00 24.11 H new ATOM 0 HB2 ALA A 79 8.820 8.807 -5.341 1.00 24.11 H new ATOM 0 HB3 ALA A 79 9.271 7.093 -5.504 1.00 24.11 H new ATOM 1340 N ILE A 80 7.099 4.978 -5.367 1.00 74.54 N ATOM 1341 CA ILE A 80 6.706 3.624 -5.825 1.00 53.12 C ATOM 1342 C ILE A 80 5.184 3.417 -5.675 1.00 65.31 C ATOM 1343 O ILE A 80 4.511 2.978 -6.616 1.00 24.24 O ATOM 1344 CB ILE A 80 7.485 2.510 -5.014 1.00 1.25 C ATOM 1345 CG1 ILE A 80 9.025 2.655 -5.211 1.00 25.25 C ATOM 1346 CG2 ILE A 80 7.018 1.076 -5.369 1.00 45.44 C ATOM 1347 CD1 ILE A 80 9.489 2.581 -6.654 1.00 11.50 C ATOM 0 H ILE A 80 7.726 4.965 -4.562 1.00 74.54 H new ATOM 0 HA ILE A 80 6.969 3.537 -6.879 1.00 53.12 H new ATOM 0 HB ILE A 80 7.250 2.666 -3.961 1.00 1.25 H new ATOM 0 HG12 ILE A 80 9.343 3.608 -4.790 1.00 25.25 H new ATOM 0 HG13 ILE A 80 9.526 1.872 -4.642 1.00 25.25 H new ATOM 0 HG21 ILE A 80 7.586 0.353 -4.783 1.00 45.44 H new ATOM 0 HG22 ILE A 80 5.957 0.973 -5.143 1.00 45.44 H new ATOM 0 HG23 ILE A 80 7.182 0.892 -6.431 1.00 45.44 H new ATOM 0 HD11 ILE A 80 10.573 2.691 -6.694 1.00 11.50 H new ATOM 0 HD12 ILE A 80 9.207 1.617 -7.078 1.00 11.50 H new ATOM 0 HD13 ILE A 80 9.021 3.381 -7.228 1.00 11.50 H new ATOM 1359 N LEU A 81 4.662 3.790 -4.492 1.00 41.22 N ATOM 1360 CA LEU A 81 3.245 3.619 -4.130 1.00 25.10 C ATOM 1361 C LEU A 81 2.332 4.468 -5.033 1.00 2.35 C ATOM 1362 O LEU A 81 1.350 3.954 -5.573 1.00 54.43 O ATOM 1363 CB LEU A 81 3.046 3.993 -2.636 1.00 51.43 C ATOM 1364 CG LEU A 81 3.608 2.967 -1.603 1.00 65.43 C ATOM 1365 CD1 LEU A 81 3.711 3.588 -0.203 1.00 2.23 C ATOM 1366 CD2 LEU A 81 2.758 1.679 -1.570 1.00 42.04 C ATOM 0 H LEU A 81 5.218 4.222 -3.754 1.00 41.22 H new ATOM 0 HA LEU A 81 2.968 2.575 -4.279 1.00 25.10 H new ATOM 0 HB2 LEU A 81 3.518 4.959 -2.456 1.00 51.43 H new ATOM 0 HB3 LEU A 81 1.979 4.120 -2.451 1.00 51.43 H new ATOM 0 HG LEU A 81 4.613 2.696 -1.926 1.00 65.43 H new ATOM 0 HD11 LEU A 81 4.106 2.849 0.495 1.00 2.23 H new ATOM 0 HD12 LEU A 81 4.378 4.449 -0.235 1.00 2.23 H new ATOM 0 HD13 LEU A 81 2.722 3.907 0.127 1.00 2.23 H new ATOM 0 HD21 LEU A 81 3.176 0.986 -0.841 1.00 42.04 H new ATOM 0 HD22 LEU A 81 1.734 1.926 -1.290 1.00 42.04 H new ATOM 0 HD23 LEU A 81 2.763 1.215 -2.556 1.00 42.04 H new ATOM 1378 N ASN A 82 2.720 5.748 -5.229 1.00 75.30 N ATOM 1379 CA ASN A 82 1.918 6.751 -5.978 1.00 21.24 C ATOM 1380 C ASN A 82 1.685 6.262 -7.432 1.00 50.53 C ATOM 1381 O ASN A 82 0.623 6.508 -8.018 1.00 50.20 O ATOM 1382 CB ASN A 82 2.643 8.137 -5.935 1.00 5.34 C ATOM 1383 CG ASN A 82 1.754 9.382 -6.198 1.00 23.12 C ATOM 1384 OD1 ASN A 82 1.969 10.438 -5.592 1.00 20.22 O ATOM 1385 ND2 ASN A 82 0.793 9.314 -7.115 1.00 72.11 N ATOM 0 H ASN A 82 3.601 6.119 -4.872 1.00 75.30 H new ATOM 0 HA ASN A 82 0.940 6.870 -5.512 1.00 21.24 H new ATOM 0 HB2 ASN A 82 3.110 8.250 -4.957 1.00 5.34 H new ATOM 0 HB3 ASN A 82 3.446 8.127 -6.672 1.00 5.34 H new ATOM 0 HD21 ASN A 82 0.227 10.137 -7.323 1.00 72.11 H new ATOM 0 HD22 ASN A 82 0.622 8.439 -7.611 1.00 72.11 H new ATOM 1392 N LYS A 83 2.683 5.530 -7.976 1.00 73.22 N ATOM 1393 CA LYS A 83 2.588 4.888 -9.302 1.00 42.04 C ATOM 1394 C LYS A 83 1.579 3.724 -9.287 1.00 24.51 C ATOM 1395 O LYS A 83 0.700 3.674 -10.137 1.00 11.15 O ATOM 1396 CB LYS A 83 3.982 4.387 -9.776 1.00 64.41 C ATOM 1397 CG LYS A 83 5.014 5.512 -10.020 1.00 33.21 C ATOM 1398 CD LYS A 83 4.575 6.507 -11.124 1.00 3.15 C ATOM 1399 CE LYS A 83 5.582 7.657 -11.324 1.00 25.41 C ATOM 1400 NZ LYS A 83 6.935 7.166 -11.705 1.00 3.23 N ATOM 0 H LYS A 83 3.575 5.369 -7.507 1.00 73.22 H new ATOM 0 HA LYS A 83 2.231 5.639 -10.007 1.00 42.04 H new ATOM 0 HB2 LYS A 83 4.381 3.700 -9.030 1.00 64.41 H new ATOM 0 HB3 LYS A 83 3.857 3.819 -10.698 1.00 64.41 H new ATOM 0 HG2 LYS A 83 5.175 6.057 -9.090 1.00 33.21 H new ATOM 0 HG3 LYS A 83 5.969 5.067 -10.298 1.00 33.21 H new ATOM 0 HD2 LYS A 83 4.453 5.969 -12.064 1.00 3.15 H new ATOM 0 HD3 LYS A 83 3.601 6.923 -10.866 1.00 3.15 H new ATOM 0 HE2 LYS A 83 5.212 8.330 -12.097 1.00 25.41 H new ATOM 0 HE3 LYS A 83 5.655 8.237 -10.404 1.00 25.41 H new ATOM 0 HZ1 LYS A 83 7.548 7.976 -11.927 1.00 3.23 H new ATOM 0 HZ2 LYS A 83 7.344 6.628 -10.915 1.00 3.23 H new ATOM 0 HZ3 LYS A 83 6.859 6.551 -12.540 1.00 3.23 H new ATOM 1414 N VAL A 84 1.684 2.835 -8.275 1.00 53.33 N ATOM 1415 CA VAL A 84 0.896 1.578 -8.217 1.00 20.21 C ATOM 1416 C VAL A 84 -0.616 1.867 -8.078 1.00 33.14 C ATOM 1417 O VAL A 84 -1.434 1.257 -8.773 1.00 33.14 O ATOM 1418 CB VAL A 84 1.389 0.648 -7.043 1.00 53.22 C ATOM 1419 CG1 VAL A 84 0.488 -0.604 -6.876 1.00 52.52 C ATOM 1420 CG2 VAL A 84 2.866 0.235 -7.256 1.00 11.24 C ATOM 0 H VAL A 84 2.311 2.964 -7.481 1.00 53.33 H new ATOM 0 HA VAL A 84 1.056 1.053 -9.159 1.00 20.21 H new ATOM 0 HB VAL A 84 1.317 1.224 -6.121 1.00 53.22 H new ATOM 0 HG11 VAL A 84 0.864 -1.216 -6.056 1.00 52.52 H new ATOM 0 HG12 VAL A 84 -0.533 -0.291 -6.656 1.00 52.52 H new ATOM 0 HG13 VAL A 84 0.499 -1.186 -7.798 1.00 52.52 H new ATOM 0 HG21 VAL A 84 3.186 -0.406 -6.435 1.00 11.24 H new ATOM 0 HG22 VAL A 84 2.960 -0.306 -8.197 1.00 11.24 H new ATOM 0 HG23 VAL A 84 3.492 1.127 -7.286 1.00 11.24 H new ATOM 1430 N PHE A 85 -0.957 2.812 -7.180 1.00 53.32 N ATOM 1431 CA PHE A 85 -2.348 3.276 -6.981 1.00 53.21 C ATOM 1432 C PHE A 85 -2.910 3.906 -8.274 1.00 11.34 C ATOM 1433 O PHE A 85 -4.076 3.685 -8.626 1.00 21.43 O ATOM 1434 CB PHE A 85 -2.434 4.266 -5.781 1.00 24.20 C ATOM 1435 CG PHE A 85 -1.971 3.667 -4.444 1.00 3.23 C ATOM 1436 CD1 PHE A 85 -2.527 2.478 -3.961 1.00 11.24 C ATOM 1437 CD2 PHE A 85 -0.976 4.276 -3.678 1.00 23.43 C ATOM 1438 CE1 PHE A 85 -2.097 1.930 -2.761 1.00 51.23 C ATOM 1439 CE2 PHE A 85 -0.552 3.725 -2.484 1.00 52.41 C ATOM 1440 CZ PHE A 85 -1.109 2.551 -2.029 1.00 53.33 C ATOM 0 H PHE A 85 -0.280 3.275 -6.573 1.00 53.32 H new ATOM 0 HA PHE A 85 -2.966 2.410 -6.742 1.00 53.21 H new ATOM 0 HB2 PHE A 85 -1.828 5.144 -6.003 1.00 24.20 H new ATOM 0 HB3 PHE A 85 -3.464 4.607 -5.678 1.00 24.20 H new ATOM 0 HD1 PHE A 85 -3.300 1.981 -4.528 1.00 11.24 H new ATOM 0 HD2 PHE A 85 -0.529 5.196 -4.025 1.00 23.43 H new ATOM 0 HE1 PHE A 85 -2.539 1.013 -2.399 1.00 51.23 H new ATOM 0 HE2 PHE A 85 0.218 4.216 -1.907 1.00 52.41 H new ATOM 0 HZ PHE A 85 -0.772 2.117 -1.099 1.00 53.33 H new ATOM 1450 N ALA A 86 -2.043 4.634 -9.010 1.00 1.24 N ATOM 1451 CA ALA A 86 -2.386 5.232 -10.317 1.00 1.14 C ATOM 1452 C ALA A 86 -2.616 4.147 -11.391 1.00 75.53 C ATOM 1453 O ALA A 86 -3.442 4.318 -12.295 1.00 72.41 O ATOM 1454 CB ALA A 86 -1.287 6.205 -10.758 1.00 51.10 C ATOM 0 H ALA A 86 -1.085 4.823 -8.714 1.00 1.24 H new ATOM 0 HA ALA A 86 -3.319 5.783 -10.202 1.00 1.14 H new ATOM 0 HB1 ALA A 86 -1.551 6.639 -11.722 1.00 51.10 H new ATOM 0 HB2 ALA A 86 -1.186 6.999 -10.018 1.00 51.10 H new ATOM 0 HB3 ALA A 86 -0.342 5.670 -10.848 1.00 51.10 H new ATOM 1460 N GLU A 87 -1.904 3.009 -11.243 1.00 1.31 N ATOM 1461 CA GLU A 87 -1.998 1.845 -12.151 1.00 65.12 C ATOM 1462 C GLU A 87 -3.226 0.966 -11.807 1.00 24.33 C ATOM 1463 O GLU A 87 -3.494 -0.029 -12.489 1.00 54.33 O ATOM 1464 CB GLU A 87 -0.686 1.012 -12.076 1.00 75.23 C ATOM 1465 CG GLU A 87 0.571 1.745 -12.599 1.00 0.30 C ATOM 1466 CD GLU A 87 1.866 0.945 -12.376 1.00 21.31 C ATOM 1467 OE1 GLU A 87 2.484 1.058 -11.294 1.00 24.54 O ATOM 1468 OE2 GLU A 87 2.261 0.170 -13.269 1.00 52.12 O ATOM 0 H GLU A 87 -1.240 2.871 -10.481 1.00 1.31 H new ATOM 0 HA GLU A 87 -2.129 2.209 -13.170 1.00 65.12 H new ATOM 0 HB2 GLU A 87 -0.515 0.719 -11.040 1.00 75.23 H new ATOM 0 HB3 GLU A 87 -0.820 0.094 -12.649 1.00 75.23 H new ATOM 0 HG2 GLU A 87 0.452 1.945 -13.664 1.00 0.30 H new ATOM 0 HG3 GLU A 87 0.656 2.711 -12.101 1.00 0.30 H new ATOM 1475 N LEU A 88 -3.965 1.350 -10.747 1.00 35.45 N ATOM 1476 CA LEU A 88 -5.239 0.708 -10.352 1.00 53.41 C ATOM 1477 C LEU A 88 -6.425 1.617 -10.742 1.00 72.13 C ATOM 1478 O LEU A 88 -7.553 1.142 -10.924 1.00 74.12 O ATOM 1479 CB LEU A 88 -5.270 0.439 -8.821 1.00 11.13 C ATOM 1480 CG LEU A 88 -4.145 -0.482 -8.248 1.00 10.42 C ATOM 1481 CD1 LEU A 88 -4.273 -0.620 -6.722 1.00 2.42 C ATOM 1482 CD2 LEU A 88 -4.129 -1.869 -8.928 1.00 24.23 C ATOM 0 H LEU A 88 -3.694 2.120 -10.135 1.00 35.45 H new ATOM 0 HA LEU A 88 -5.321 -0.245 -10.874 1.00 53.41 H new ATOM 0 HB2 LEU A 88 -5.220 1.398 -8.306 1.00 11.13 H new ATOM 0 HB3 LEU A 88 -6.234 -0.006 -8.573 1.00 11.13 H new ATOM 0 HG LEU A 88 -3.192 -0.003 -8.471 1.00 10.42 H new ATOM 0 HD11 LEU A 88 -3.479 -1.266 -6.347 1.00 2.42 H new ATOM 0 HD12 LEU A 88 -4.190 0.363 -6.259 1.00 2.42 H new ATOM 0 HD13 LEU A 88 -5.241 -1.056 -6.476 1.00 2.42 H new ATOM 0 HD21 LEU A 88 -3.332 -2.476 -8.499 1.00 24.23 H new ATOM 0 HD22 LEU A 88 -5.087 -2.364 -8.768 1.00 24.23 H new ATOM 0 HD23 LEU A 88 -3.957 -1.748 -9.998 1.00 24.23 H new ATOM 1494 N GLY A 89 -6.145 2.929 -10.853 1.00 61.43 N ATOM 1495 CA GLY A 89 -7.146 3.927 -11.236 1.00 32.40 C ATOM 1496 C GLY A 89 -7.218 5.103 -10.270 1.00 53.20 C ATOM 1497 O GLY A 89 -7.787 6.148 -10.623 1.00 42.51 O ATOM 0 H GLY A 89 -5.219 3.320 -10.679 1.00 61.43 H new ATOM 0 HA2 GLY A 89 -6.916 4.298 -12.235 1.00 32.40 H new ATOM 0 HA3 GLY A 89 -8.124 3.449 -11.291 1.00 32.40 H new ATOM 1501 N TYR A 90 -6.659 4.936 -9.044 1.00 14.35 N ATOM 1502 CA TYR A 90 -6.623 6.009 -8.020 1.00 31.21 C ATOM 1503 C TYR A 90 -5.834 7.218 -8.539 1.00 33.10 C ATOM 1504 O TYR A 90 -4.781 7.056 -9.163 1.00 72.31 O ATOM 1505 CB TYR A 90 -5.971 5.527 -6.693 1.00 40.23 C ATOM 1506 CG TYR A 90 -6.704 4.397 -5.957 1.00 21.12 C ATOM 1507 CD1 TYR A 90 -7.892 4.649 -5.266 1.00 44.30 C ATOM 1508 CD2 TYR A 90 -6.200 3.087 -5.935 1.00 63.51 C ATOM 1509 CE1 TYR A 90 -8.548 3.642 -4.585 1.00 4.24 C ATOM 1510 CE2 TYR A 90 -6.854 2.080 -5.251 1.00 33.23 C ATOM 1511 CZ TYR A 90 -8.029 2.365 -4.582 1.00 72.54 C ATOM 1512 OH TYR A 90 -8.688 1.369 -3.903 1.00 31.22 O ATOM 0 H TYR A 90 -6.226 4.064 -8.741 1.00 14.35 H new ATOM 0 HA TYR A 90 -7.658 6.288 -7.821 1.00 31.21 H new ATOM 0 HB2 TYR A 90 -4.956 5.195 -6.910 1.00 40.23 H new ATOM 0 HB3 TYR A 90 -5.890 6.380 -6.020 1.00 40.23 H new ATOM 0 HD1 TYR A 90 -8.304 5.647 -5.264 1.00 44.30 H new ATOM 0 HD2 TYR A 90 -5.285 2.862 -6.462 1.00 63.51 H new ATOM 0 HE1 TYR A 90 -9.465 3.855 -4.056 1.00 4.24 H new ATOM 0 HE2 TYR A 90 -6.450 1.078 -5.239 1.00 33.23 H new ATOM 0 HH TYR A 90 -8.150 0.550 -3.921 1.00 31.22 H new ATOM 1522 N ASN A 91 -6.354 8.416 -8.270 1.00 71.51 N ATOM 1523 CA ASN A 91 -5.691 9.682 -8.624 1.00 20.21 C ATOM 1524 C ASN A 91 -4.618 10.014 -7.569 1.00 73.32 C ATOM 1525 O ASN A 91 -4.547 9.368 -6.509 1.00 2.15 O ATOM 1526 CB ASN A 91 -6.749 10.829 -8.740 1.00 40.11 C ATOM 1527 CG ASN A 91 -7.746 10.688 -9.909 1.00 54.31 C ATOM 1528 OD1 ASN A 91 -8.192 11.692 -10.473 1.00 1.44 O ATOM 1529 ND2 ASN A 91 -8.143 9.469 -10.265 1.00 24.41 N ATOM 0 H ASN A 91 -7.250 8.541 -7.799 1.00 71.51 H new ATOM 0 HA ASN A 91 -5.201 9.581 -9.593 1.00 20.21 H new ATOM 0 HB2 ASN A 91 -7.312 10.878 -7.808 1.00 40.11 H new ATOM 0 HB3 ASN A 91 -6.223 11.778 -8.845 1.00 40.11 H new ATOM 0 HD21 ASN A 91 -8.826 9.353 -11.014 1.00 24.41 H new ATOM 0 HD22 ASN A 91 -7.765 8.650 -9.789 1.00 24.41 H new ATOM 1536 N ASP A 92 -3.780 11.017 -7.872 1.00 4.40 N ATOM 1537 CA ASP A 92 -2.681 11.447 -6.979 1.00 2.01 C ATOM 1538 C ASP A 92 -3.221 11.960 -5.625 1.00 33.34 C ATOM 1539 O ASP A 92 -2.620 11.714 -4.578 1.00 44.02 O ATOM 1540 CB ASP A 92 -1.825 12.542 -7.665 1.00 3.44 C ATOM 1541 CG ASP A 92 -1.176 12.058 -8.978 1.00 42.44 C ATOM 1542 OD1 ASP A 92 -0.048 11.525 -8.940 1.00 23.31 O ATOM 1543 OD2 ASP A 92 -1.800 12.191 -10.053 1.00 40.04 O ATOM 0 H ASP A 92 -3.840 11.554 -8.737 1.00 4.40 H new ATOM 0 HA ASP A 92 -2.054 10.578 -6.782 1.00 2.01 H new ATOM 0 HB2 ASP A 92 -2.452 13.409 -7.873 1.00 3.44 H new ATOM 0 HB3 ASP A 92 -1.044 12.870 -6.978 1.00 3.44 H new ATOM 1548 N SER A 93 -4.375 12.658 -5.683 1.00 61.43 N ATOM 1549 CA SER A 93 -5.070 13.222 -4.505 1.00 64.20 C ATOM 1550 C SER A 93 -5.562 12.141 -3.517 1.00 73.31 C ATOM 1551 O SER A 93 -5.744 12.434 -2.327 1.00 63.35 O ATOM 1552 CB SER A 93 -6.246 14.101 -4.978 1.00 52.52 C ATOM 1553 OG SER A 93 -7.106 13.382 -5.858 1.00 54.24 O ATOM 0 H SER A 93 -4.857 12.849 -6.561 1.00 61.43 H new ATOM 0 HA SER A 93 -4.347 13.826 -3.957 1.00 64.20 H new ATOM 0 HB2 SER A 93 -6.813 14.449 -4.115 1.00 52.52 H new ATOM 0 HB3 SER A 93 -5.861 14.986 -5.484 1.00 52.52 H new ATOM 0 HG SER A 93 -7.843 13.962 -6.141 1.00 54.24 H new ATOM 1559 N ASN A 94 -5.802 10.908 -4.013 1.00 0.04 N ATOM 1560 CA ASN A 94 -6.121 9.745 -3.149 1.00 13.51 C ATOM 1561 C ASN A 94 -4.929 9.421 -2.230 1.00 61.33 C ATOM 1562 O ASN A 94 -5.103 9.151 -1.042 1.00 35.23 O ATOM 1563 CB ASN A 94 -6.472 8.493 -4.006 1.00 1.34 C ATOM 1564 CG ASN A 94 -7.759 8.654 -4.822 1.00 3.02 C ATOM 1565 OD1 ASN A 94 -7.761 9.257 -5.890 1.00 70.43 O ATOM 1566 ND2 ASN A 94 -8.857 8.093 -4.345 1.00 1.43 N ATOM 0 H ASN A 94 -5.781 10.690 -5.009 1.00 0.04 H new ATOM 0 HA ASN A 94 -6.987 10.006 -2.541 1.00 13.51 H new ATOM 0 HB2 ASN A 94 -5.645 8.283 -4.684 1.00 1.34 H new ATOM 0 HB3 ASN A 94 -6.573 7.629 -3.349 1.00 1.34 H new ATOM 0 HD21 ASN A 94 -9.731 8.156 -4.868 1.00 1.43 H new ATOM 0 HD22 ASN A 94 -8.831 7.597 -3.454 1.00 1.43 H new ATOM 1573 N VAL A 95 -3.716 9.524 -2.799 1.00 42.02 N ATOM 1574 CA VAL A 95 -2.458 9.098 -2.159 1.00 50.22 C ATOM 1575 C VAL A 95 -1.935 10.222 -1.230 1.00 53.33 C ATOM 1576 O VAL A 95 -1.414 11.233 -1.703 1.00 74.44 O ATOM 1577 CB VAL A 95 -1.386 8.745 -3.271 1.00 60.24 C ATOM 1578 CG1 VAL A 95 -0.084 8.155 -2.667 1.00 0.41 C ATOM 1579 CG2 VAL A 95 -1.990 7.799 -4.343 1.00 71.31 C ATOM 0 H VAL A 95 -3.579 9.912 -3.732 1.00 42.02 H new ATOM 0 HA VAL A 95 -2.639 8.208 -1.556 1.00 50.22 H new ATOM 0 HB VAL A 95 -1.110 9.680 -3.759 1.00 60.24 H new ATOM 0 HG11 VAL A 95 0.619 7.929 -3.469 1.00 0.41 H new ATOM 0 HG12 VAL A 95 0.362 8.880 -1.986 1.00 0.41 H new ATOM 0 HG13 VAL A 95 -0.318 7.241 -2.121 1.00 0.41 H new ATOM 0 HG21 VAL A 95 -1.234 7.572 -5.095 1.00 71.31 H new ATOM 0 HG22 VAL A 95 -2.319 6.875 -3.868 1.00 71.31 H new ATOM 0 HG23 VAL A 95 -2.841 8.285 -4.819 1.00 71.31 H new ATOM 1589 N THR A 96 -2.133 10.058 0.086 1.00 3.34 N ATOM 1590 CA THR A 96 -1.710 11.044 1.111 1.00 54.32 C ATOM 1591 C THR A 96 -0.558 10.445 1.941 1.00 2.21 C ATOM 1592 O THR A 96 -0.462 9.232 2.038 1.00 23.43 O ATOM 1593 CB THR A 96 -2.926 11.391 2.040 1.00 34.35 C ATOM 1594 OG1 THR A 96 -4.100 11.587 1.222 1.00 44.21 O ATOM 1595 CG2 THR A 96 -2.686 12.646 2.909 1.00 62.33 C ATOM 0 H THR A 96 -2.593 9.236 0.479 1.00 3.34 H new ATOM 0 HA THR A 96 -1.367 11.959 0.628 1.00 54.32 H new ATOM 0 HB THR A 96 -3.061 10.555 2.726 1.00 34.35 H new ATOM 0 HG1 THR A 96 -4.514 10.720 1.031 1.00 44.21 H new ATOM 0 HG21 THR A 96 -3.563 12.833 3.529 1.00 62.33 H new ATOM 0 HG22 THR A 96 -1.818 12.485 3.548 1.00 62.33 H new ATOM 0 HG23 THR A 96 -2.508 13.506 2.264 1.00 62.33 H new ATOM 1603 N TRP A 97 0.322 11.286 2.511 1.00 30.12 N ATOM 1604 CA TRP A 97 1.417 10.825 3.400 1.00 62.31 C ATOM 1605 C TRP A 97 1.392 11.623 4.712 1.00 12.32 C ATOM 1606 O TRP A 97 1.584 12.847 4.711 1.00 22.10 O ATOM 1607 CB TRP A 97 2.804 10.917 2.696 1.00 3.55 C ATOM 1608 CG TRP A 97 3.206 9.639 1.986 1.00 33.50 C ATOM 1609 CD1 TRP A 97 2.952 9.281 0.685 1.00 13.01 C ATOM 1610 CD2 TRP A 97 3.926 8.536 2.569 1.00 63.02 C ATOM 1611 NE1 TRP A 97 3.479 8.036 0.431 1.00 74.33 N ATOM 1612 CE2 TRP A 97 4.084 7.565 1.569 1.00 63.12 C ATOM 1613 CE3 TRP A 97 4.457 8.286 3.839 1.00 25.54 C ATOM 1614 CZ2 TRP A 97 4.751 6.363 1.802 1.00 2.14 C ATOM 1615 CZ3 TRP A 97 5.118 7.093 4.067 1.00 54.01 C ATOM 1616 CH2 TRP A 97 5.262 6.144 3.053 1.00 3.32 C ATOM 0 H TRP A 97 0.300 12.297 2.374 1.00 30.12 H new ATOM 0 HA TRP A 97 1.256 9.772 3.633 1.00 62.31 H new ATOM 0 HB2 TRP A 97 2.783 11.733 1.974 1.00 3.55 H new ATOM 0 HB3 TRP A 97 3.563 11.166 3.437 1.00 3.55 H new ATOM 0 HD1 TRP A 97 2.418 9.887 -0.032 1.00 13.01 H new ATOM 0 HE1 TRP A 97 3.428 7.542 -0.460 1.00 74.33 H new ATOM 0 HE3 TRP A 97 4.352 9.014 4.630 1.00 25.54 H new ATOM 0 HZ2 TRP A 97 4.861 5.627 1.019 1.00 2.14 H new ATOM 0 HZ3 TRP A 97 5.529 6.892 5.045 1.00 54.01 H new ATOM 0 HH2 TRP A 97 5.785 5.222 3.259 1.00 3.32 H new ATOM 1627 N ASP A 98 1.127 10.900 5.818 1.00 44.21 N ATOM 1628 CA ASP A 98 0.937 11.473 7.162 1.00 62.22 C ATOM 1629 C ASP A 98 1.205 10.399 8.241 1.00 3.14 C ATOM 1630 O ASP A 98 0.630 9.306 8.185 1.00 30.54 O ATOM 1631 CB ASP A 98 -0.508 12.041 7.293 1.00 70.52 C ATOM 1632 CG ASP A 98 -1.620 11.013 6.938 1.00 33.12 C ATOM 1633 OD1 ASP A 98 -1.848 10.751 5.733 1.00 32.13 O ATOM 1634 OD2 ASP A 98 -2.270 10.463 7.860 1.00 72.31 O ATOM 0 H ASP A 98 1.038 9.884 5.800 1.00 44.21 H new ATOM 0 HA ASP A 98 1.645 12.288 7.309 1.00 62.22 H new ATOM 0 HB2 ASP A 98 -0.661 12.389 8.315 1.00 70.52 H new ATOM 0 HB3 ASP A 98 -0.608 12.910 6.642 1.00 70.52 H new ATOM 1639 N GLY A 99 2.098 10.716 9.206 1.00 22.00 N ATOM 1640 CA GLY A 99 2.443 9.804 10.315 1.00 33.31 C ATOM 1641 C GLY A 99 3.087 8.503 9.839 1.00 22.43 C ATOM 1642 O GLY A 99 2.656 7.420 10.231 1.00 72.42 O ATOM 0 H GLY A 99 2.596 11.606 9.236 1.00 22.00 H new ATOM 0 HA2 GLY A 99 3.125 10.312 10.997 1.00 33.31 H new ATOM 0 HA3 GLY A 99 1.541 9.571 10.881 1.00 33.31 H new ATOM 1646 N ASP A 100 4.077 8.650 8.920 1.00 54.04 N ATOM 1647 CA ASP A 100 4.830 7.548 8.229 1.00 54.22 C ATOM 1648 C ASP A 100 3.910 6.592 7.415 1.00 32.13 C ATOM 1649 O ASP A 100 4.374 5.591 6.849 1.00 31.42 O ATOM 1650 CB ASP A 100 5.804 6.768 9.198 1.00 45.41 C ATOM 1651 CG ASP A 100 5.224 5.516 9.905 1.00 44.25 C ATOM 1652 OD1 ASP A 100 5.312 4.398 9.335 1.00 73.40 O ATOM 1653 OD2 ASP A 100 4.726 5.633 11.044 1.00 30.12 O ATOM 0 H ASP A 100 4.392 9.573 8.622 1.00 54.04 H new ATOM 0 HA ASP A 100 5.464 8.047 7.496 1.00 54.22 H new ATOM 0 HB2 ASP A 100 6.680 6.461 8.626 1.00 45.41 H new ATOM 0 HB3 ASP A 100 6.150 7.462 9.964 1.00 45.41 H new ATOM 1658 N THR A 101 2.635 6.976 7.277 1.00 51.31 N ATOM 1659 CA THR A 101 1.583 6.167 6.648 1.00 1.01 C ATOM 1660 C THR A 101 1.204 6.792 5.302 1.00 41.20 C ATOM 1661 O THR A 101 1.233 8.015 5.165 1.00 55.32 O ATOM 1662 CB THR A 101 0.325 6.134 7.584 1.00 73.22 C ATOM 1663 OG1 THR A 101 0.716 5.701 8.897 1.00 0.14 O ATOM 1664 CG2 THR A 101 -0.793 5.217 7.055 1.00 20.34 C ATOM 0 H THR A 101 2.298 7.880 7.608 1.00 51.31 H new ATOM 0 HA THR A 101 1.944 5.151 6.489 1.00 1.01 H new ATOM 0 HB THR A 101 -0.077 7.147 7.615 1.00 73.22 H new ATOM 0 HG1 THR A 101 1.305 6.372 9.301 1.00 0.14 H new ATOM 0 HG21 THR A 101 -1.636 5.236 7.745 1.00 20.34 H new ATOM 0 HG22 THR A 101 -1.118 5.568 6.075 1.00 20.34 H new ATOM 0 HG23 THR A 101 -0.417 4.197 6.969 1.00 20.34 H new ATOM 1672 N VAL A 102 0.870 5.963 4.307 1.00 21.22 N ATOM 1673 CA VAL A 102 0.210 6.426 3.086 1.00 64.03 C ATOM 1674 C VAL A 102 -1.308 6.168 3.237 1.00 64.22 C ATOM 1675 O VAL A 102 -1.764 5.018 3.281 1.00 54.11 O ATOM 1676 CB VAL A 102 0.809 5.772 1.774 1.00 43.53 C ATOM 1677 CG1 VAL A 102 0.800 4.237 1.810 1.00 20.01 C ATOM 1678 CG2 VAL A 102 0.102 6.305 0.506 1.00 32.14 C ATOM 0 H VAL A 102 1.049 4.959 4.327 1.00 21.22 H new ATOM 0 HA VAL A 102 0.391 7.494 2.963 1.00 64.03 H new ATOM 0 HB VAL A 102 1.856 6.073 1.734 1.00 43.53 H new ATOM 0 HG11 VAL A 102 1.223 3.849 0.883 1.00 20.01 H new ATOM 0 HG12 VAL A 102 1.396 3.889 2.654 1.00 20.01 H new ATOM 0 HG13 VAL A 102 -0.225 3.882 1.918 1.00 20.01 H new ATOM 0 HG21 VAL A 102 0.537 5.836 -0.377 1.00 32.14 H new ATOM 0 HG22 VAL A 102 -0.961 6.069 0.556 1.00 32.14 H new ATOM 0 HG23 VAL A 102 0.232 7.386 0.444 1.00 32.14 H new ATOM 1688 N THR A 103 -2.073 7.259 3.403 1.00 71.22 N ATOM 1689 CA THR A 103 -3.523 7.213 3.545 1.00 2.13 C ATOM 1690 C THR A 103 -4.155 7.382 2.158 1.00 60.30 C ATOM 1691 O THR A 103 -4.202 8.489 1.611 1.00 73.31 O ATOM 1692 CB THR A 103 -4.031 8.339 4.512 1.00 74.41 C ATOM 1693 OG1 THR A 103 -3.489 8.128 5.829 1.00 63.35 O ATOM 1694 CG2 THR A 103 -5.567 8.404 4.594 1.00 33.30 C ATOM 0 H THR A 103 -1.691 8.204 3.442 1.00 71.22 H new ATOM 0 HA THR A 103 -3.812 6.254 3.975 1.00 2.13 H new ATOM 0 HB THR A 103 -3.687 9.290 4.105 1.00 74.41 H new ATOM 0 HG1 THR A 103 -2.866 8.853 6.046 1.00 63.35 H new ATOM 0 HG21 THR A 103 -5.862 9.201 5.277 1.00 33.30 H new ATOM 0 HG22 THR A 103 -5.976 8.605 3.604 1.00 33.30 H new ATOM 0 HG23 THR A 103 -5.952 7.452 4.959 1.00 33.30 H new ATOM 1702 N VAL A 104 -4.582 6.264 1.567 1.00 14.52 N ATOM 1703 CA VAL A 104 -5.294 6.269 0.292 1.00 33.23 C ATOM 1704 C VAL A 104 -6.792 6.246 0.602 1.00 11.00 C ATOM 1705 O VAL A 104 -7.324 5.229 1.054 1.00 41.52 O ATOM 1706 CB VAL A 104 -4.881 5.038 -0.596 1.00 33.03 C ATOM 1707 CG1 VAL A 104 -5.585 5.056 -1.978 1.00 73.23 C ATOM 1708 CG2 VAL A 104 -3.350 4.999 -0.752 1.00 1.15 C ATOM 0 H VAL A 104 -4.443 5.333 1.960 1.00 14.52 H new ATOM 0 HA VAL A 104 -5.039 7.162 -0.278 1.00 33.23 H new ATOM 0 HB VAL A 104 -5.210 4.130 -0.091 1.00 33.03 H new ATOM 0 HG11 VAL A 104 -5.271 4.188 -2.558 1.00 73.23 H new ATOM 0 HG12 VAL A 104 -6.665 5.026 -1.836 1.00 73.23 H new ATOM 0 HG13 VAL A 104 -5.314 5.967 -2.512 1.00 73.23 H new ATOM 0 HG21 VAL A 104 -3.069 4.145 -1.368 1.00 1.15 H new ATOM 0 HG22 VAL A 104 -3.009 5.918 -1.229 1.00 1.15 H new ATOM 0 HG23 VAL A 104 -2.886 4.907 0.230 1.00 1.15 H new ATOM 1718 N GLU A 105 -7.461 7.375 0.364 1.00 62.32 N ATOM 1719 CA GLU A 105 -8.902 7.522 0.597 1.00 24.03 C ATOM 1720 C GLU A 105 -9.553 7.848 -0.736 1.00 53.31 C ATOM 1721 O GLU A 105 -9.094 8.746 -1.456 1.00 30.42 O ATOM 1722 CB GLU A 105 -9.201 8.622 1.652 1.00 74.03 C ATOM 1723 CG GLU A 105 -10.714 8.889 1.878 1.00 72.03 C ATOM 1724 CD GLU A 105 -11.012 9.938 2.963 1.00 20.32 C ATOM 1725 OE1 GLU A 105 -10.379 11.013 2.958 1.00 51.13 O ATOM 1726 OE2 GLU A 105 -11.902 9.714 3.809 1.00 13.11 O ATOM 0 H GLU A 105 -7.017 8.219 0.002 1.00 62.32 H new ATOM 0 HA GLU A 105 -9.309 6.595 1.000 1.00 24.03 H new ATOM 0 HB2 GLU A 105 -8.748 8.333 2.601 1.00 74.03 H new ATOM 0 HB3 GLU A 105 -8.722 9.550 1.340 1.00 74.03 H new ATOM 0 HG2 GLU A 105 -11.158 9.218 0.938 1.00 72.03 H new ATOM 0 HG3 GLU A 105 -11.200 7.952 2.150 1.00 72.03 H new ATOM 1733 N GLY A 106 -10.600 7.098 -1.067 1.00 21.52 N ATOM 1734 CA GLY A 106 -11.319 7.255 -2.319 1.00 73.44 C ATOM 1735 C GLY A 106 -12.693 6.638 -2.244 1.00 44.12 C ATOM 1736 O GLY A 106 -13.192 6.351 -1.145 1.00 12.32 O ATOM 0 H GLY A 106 -10.972 6.361 -0.468 1.00 21.52 H new ATOM 0 HA2 GLY A 106 -11.407 8.314 -2.560 1.00 73.44 H new ATOM 0 HA3 GLY A 106 -10.753 6.790 -3.126 1.00 73.44 H new ATOM 1740 N GLN A 107 -13.310 6.447 -3.407 1.00 64.42 N ATOM 1741 CA GLN A 107 -14.626 5.822 -3.518 1.00 73.41 C ATOM 1742 C GLN A 107 -14.574 4.662 -4.518 1.00 51.04 C ATOM 1743 O GLN A 107 -14.226 4.848 -5.697 1.00 30.44 O ATOM 1744 CB GLN A 107 -15.698 6.852 -3.942 1.00 21.45 C ATOM 1745 CG GLN A 107 -17.110 6.247 -4.122 1.00 72.04 C ATOM 1746 CD GLN A 107 -18.140 7.263 -4.584 1.00 23.11 C ATOM 1747 OE1 GLN A 107 -18.876 7.850 -3.785 1.00 62.45 O ATOM 1748 NE2 GLN A 107 -18.167 7.513 -5.882 1.00 4.00 N ATOM 0 H GLN A 107 -12.910 6.723 -4.304 1.00 64.42 H new ATOM 0 HA GLN A 107 -14.904 5.434 -2.538 1.00 73.41 H new ATOM 0 HB2 GLN A 107 -15.745 7.643 -3.193 1.00 21.45 H new ATOM 0 HB3 GLN A 107 -15.391 7.318 -4.878 1.00 21.45 H new ATOM 0 HG2 GLN A 107 -17.061 5.434 -4.846 1.00 72.04 H new ATOM 0 HG3 GLN A 107 -17.436 5.813 -3.177 1.00 72.04 H new ATOM 0 HE21 GLN A 107 -17.544 7.008 -6.512 1.00 4.00 H new ATOM 0 HE22 GLN A 107 -18.811 8.211 -6.254 1.00 4.00 H new ATOM 1757 N LEU A 108 -14.882 3.469 -4.012 1.00 21.23 N ATOM 1758 CA LEU A 108 -15.176 2.283 -4.812 1.00 33.05 C ATOM 1759 C LEU A 108 -16.568 2.497 -5.446 1.00 5.13 C ATOM 1760 O LEU A 108 -17.516 2.868 -4.736 1.00 33.40 O ATOM 1761 CB LEU A 108 -15.123 1.035 -3.874 1.00 24.32 C ATOM 1762 CG LEU A 108 -14.878 -0.372 -4.516 1.00 42.25 C ATOM 1763 CD1 LEU A 108 -14.470 -1.385 -3.426 1.00 33.00 C ATOM 1764 CD2 LEU A 108 -16.110 -0.887 -5.300 1.00 65.53 C ATOM 0 H LEU A 108 -14.935 3.297 -3.008 1.00 21.23 H new ATOM 0 HA LEU A 108 -14.454 2.119 -5.612 1.00 33.05 H new ATOM 0 HB2 LEU A 108 -14.336 1.206 -3.139 1.00 24.32 H new ATOM 0 HB3 LEU A 108 -16.065 0.991 -3.328 1.00 24.32 H new ATOM 0 HG LEU A 108 -14.067 -0.265 -5.236 1.00 42.25 H new ATOM 0 HD11 LEU A 108 -14.302 -2.361 -3.881 1.00 33.00 H new ATOM 0 HD12 LEU A 108 -13.554 -1.048 -2.941 1.00 33.00 H new ATOM 0 HD13 LEU A 108 -15.266 -1.463 -2.685 1.00 33.00 H new ATOM 0 HD21 LEU A 108 -15.888 -1.866 -5.725 1.00 65.53 H new ATOM 0 HD22 LEU A 108 -16.962 -0.969 -4.625 1.00 65.53 H new ATOM 0 HD23 LEU A 108 -16.349 -0.189 -6.102 1.00 65.53 H new ATOM 1776 N GLU A 109 -16.659 2.307 -6.774 1.00 1.42 N ATOM 1777 CA GLU A 109 -17.882 2.580 -7.555 1.00 21.44 C ATOM 1778 C GLU A 109 -19.086 1.781 -7.006 1.00 62.35 C ATOM 1779 O GLU A 109 -19.169 0.555 -7.176 1.00 71.32 O ATOM 1780 CB GLU A 109 -17.646 2.270 -9.056 1.00 42.15 C ATOM 1781 CG GLU A 109 -18.861 2.549 -9.964 1.00 3.41 C ATOM 1782 CD GLU A 109 -18.555 2.350 -11.456 1.00 52.21 C ATOM 1783 OE1 GLU A 109 -18.585 1.193 -11.934 1.00 1.13 O ATOM 1784 OE2 GLU A 109 -18.278 3.346 -12.158 1.00 50.55 O ATOM 0 H GLU A 109 -15.885 1.959 -7.339 1.00 1.42 H new ATOM 0 HA GLU A 109 -18.119 3.639 -7.457 1.00 21.44 H new ATOM 0 HB2 GLU A 109 -16.801 2.862 -9.408 1.00 42.15 H new ATOM 0 HB3 GLU A 109 -17.365 1.222 -9.158 1.00 42.15 H new ATOM 0 HG2 GLU A 109 -19.681 1.891 -9.676 1.00 3.41 H new ATOM 0 HG3 GLU A 109 -19.201 3.572 -9.802 1.00 3.41 H new ATOM 1791 N GLY A 110 -19.975 2.503 -6.311 1.00 65.51 N ATOM 1792 CA GLY A 110 -21.180 1.937 -5.707 1.00 10.42 C ATOM 1793 C GLY A 110 -22.105 3.043 -5.213 1.00 70.24 C ATOM 1794 O GLY A 110 -22.680 2.948 -4.125 1.00 2.33 O ATOM 0 H GLY A 110 -19.873 3.506 -6.153 1.00 65.51 H new ATOM 0 HA2 GLY A 110 -21.702 1.318 -6.437 1.00 10.42 H new ATOM 0 HA3 GLY A 110 -20.906 1.287 -4.876 1.00 10.42 H new ATOM 1798 N VAL A 111 -22.262 4.092 -6.055 1.00 20.41 N ATOM 1799 CA VAL A 111 -22.955 5.344 -5.686 1.00 44.11 C ATOM 1800 C VAL A 111 -24.486 5.153 -5.730 1.00 1.31 C ATOM 1801 O VAL A 111 -25.157 5.500 -6.711 1.00 72.34 O ATOM 1802 CB VAL A 111 -22.521 6.554 -6.605 1.00 62.40 C ATOM 1803 CG1 VAL A 111 -22.939 7.914 -5.985 1.00 11.01 C ATOM 1804 CG2 VAL A 111 -21.007 6.514 -6.897 1.00 60.22 C ATOM 0 H VAL A 111 -21.909 4.091 -7.012 1.00 20.41 H new ATOM 0 HA VAL A 111 -22.660 5.588 -4.665 1.00 44.11 H new ATOM 0 HB VAL A 111 -23.046 6.452 -7.555 1.00 62.40 H new ATOM 0 HG11 VAL A 111 -22.626 8.725 -6.642 1.00 11.01 H new ATOM 0 HG12 VAL A 111 -24.022 7.942 -5.865 1.00 11.01 H new ATOM 0 HG13 VAL A 111 -22.463 8.032 -5.011 1.00 11.01 H new ATOM 0 HG21 VAL A 111 -20.736 7.358 -7.531 1.00 60.22 H new ATOM 0 HG22 VAL A 111 -20.454 6.573 -5.960 1.00 60.22 H new ATOM 0 HG23 VAL A 111 -20.759 5.583 -7.407 1.00 60.22 H new ATOM 1814 N ASP A 112 -24.999 4.549 -4.651 1.00 22.31 N ATOM 1815 CA ASP A 112 -26.434 4.304 -4.424 1.00 10.42 C ATOM 1816 C ASP A 112 -26.606 3.778 -3.000 1.00 61.44 C ATOM 1817 O ASP A 112 -27.574 4.115 -2.313 1.00 32.03 O ATOM 1818 CB ASP A 112 -27.035 3.308 -5.456 1.00 13.41 C ATOM 1819 CG ASP A 112 -28.550 3.082 -5.273 1.00 1.03 C ATOM 1820 OD1 ASP A 112 -29.339 4.012 -5.558 1.00 3.30 O ATOM 1821 OD2 ASP A 112 -28.967 1.970 -4.859 1.00 60.31 O ATOM 0 H ASP A 112 -24.414 4.207 -3.889 1.00 22.31 H new ATOM 0 HA ASP A 112 -26.977 5.240 -4.555 1.00 10.42 H new ATOM 0 HB2 ASP A 112 -26.849 3.682 -6.463 1.00 13.41 H new ATOM 0 HB3 ASP A 112 -26.519 2.352 -5.371 1.00 13.41 H new ATOM 1826 N LEU A 113 -25.628 2.961 -2.578 1.00 42.22 N ATOM 1827 CA LEU A 113 -25.562 2.388 -1.219 1.00 72.31 C ATOM 1828 C LEU A 113 -25.276 3.498 -0.176 1.00 52.55 C ATOM 1829 O LEU A 113 -24.132 3.732 0.216 1.00 41.11 O ATOM 1830 CB LEU A 113 -24.480 1.265 -1.166 1.00 43.43 C ATOM 1831 CG LEU A 113 -24.646 0.110 -2.207 1.00 43.31 C ATOM 1832 CD1 LEU A 113 -23.521 -0.940 -2.070 1.00 62.42 C ATOM 1833 CD2 LEU A 113 -26.044 -0.537 -2.112 1.00 33.30 C ATOM 0 H LEU A 113 -24.852 2.675 -3.175 1.00 42.22 H new ATOM 0 HA LEU A 113 -26.526 1.943 -0.972 1.00 72.31 H new ATOM 0 HB2 LEU A 113 -23.501 1.722 -1.312 1.00 43.43 H new ATOM 0 HB3 LEU A 113 -24.483 0.831 -0.166 1.00 43.43 H new ATOM 0 HG LEU A 113 -24.559 0.549 -3.201 1.00 43.31 H new ATOM 0 HD11 LEU A 113 -23.667 -1.728 -2.808 1.00 62.42 H new ATOM 0 HD12 LEU A 113 -22.555 -0.462 -2.236 1.00 62.42 H new ATOM 0 HD13 LEU A 113 -23.546 -1.371 -1.069 1.00 62.42 H new ATOM 0 HD21 LEU A 113 -26.126 -1.336 -2.849 1.00 33.30 H new ATOM 0 HD22 LEU A 113 -26.187 -0.949 -1.113 1.00 33.30 H new ATOM 0 HD23 LEU A 113 -26.807 0.216 -2.307 1.00 33.30 H new ATOM 1845 N GLU A 114 -26.349 4.196 0.216 1.00 41.23 N ATOM 1846 CA GLU A 114 -26.287 5.337 1.155 1.00 0.35 C ATOM 1847 C GLU A 114 -25.941 4.857 2.577 1.00 1.30 C ATOM 1848 O GLU A 114 -26.359 3.767 2.994 1.00 41.15 O ATOM 1849 CB GLU A 114 -27.620 6.172 1.127 1.00 34.22 C ATOM 1850 CG GLU A 114 -28.913 5.413 0.715 1.00 33.21 C ATOM 1851 CD GLU A 114 -29.309 4.240 1.635 1.00 44.23 C ATOM 1852 OE1 GLU A 114 -29.954 4.489 2.674 1.00 2.11 O ATOM 1853 OE2 GLU A 114 -28.991 3.068 1.313 1.00 15.41 O ATOM 0 H GLU A 114 -27.294 3.988 -0.108 1.00 41.23 H new ATOM 0 HA GLU A 114 -25.487 6.002 0.829 1.00 0.35 H new ATOM 0 HB2 GLU A 114 -27.776 6.596 2.119 1.00 34.22 H new ATOM 0 HB3 GLU A 114 -27.483 7.008 0.441 1.00 34.22 H new ATOM 0 HG2 GLU A 114 -29.738 6.124 0.685 1.00 33.21 H new ATOM 0 HG3 GLU A 114 -28.784 5.031 -0.298 1.00 33.21 H new ATOM 1860 N HIS A 115 -25.171 5.694 3.299 1.00 15.10 N ATOM 1861 CA HIS A 115 -24.667 5.384 4.645 1.00 50.54 C ATOM 1862 C HIS A 115 -25.829 5.294 5.666 1.00 30.44 C ATOM 1863 O HIS A 115 -26.321 6.311 6.160 1.00 65.12 O ATOM 1864 CB HIS A 115 -23.568 6.423 5.083 1.00 24.25 C ATOM 1865 CG HIS A 115 -24.053 7.850 5.296 1.00 22.02 C ATOM 1866 ND1 HIS A 115 -23.953 8.509 6.503 1.00 14.01 N ATOM 1867 CD2 HIS A 115 -24.674 8.721 4.460 1.00 34.24 C ATOM 1868 CE1 HIS A 115 -24.496 9.702 6.400 1.00 44.31 C ATOM 1869 NE2 HIS A 115 -24.934 9.861 5.171 1.00 22.41 N ATOM 0 H HIS A 115 -24.881 6.611 2.959 1.00 15.10 H new ATOM 0 HA HIS A 115 -24.191 4.404 4.619 1.00 50.54 H new ATOM 0 HB2 HIS A 115 -23.112 6.072 6.009 1.00 24.25 H new ATOM 0 HB3 HIS A 115 -22.784 6.435 4.326 1.00 24.25 H new ATOM 0 HD1 HIS A 115 -23.524 8.129 7.347 1.00 14.01 H new ATOM 0 HD2 HIS A 115 -24.918 8.546 3.423 1.00 34.24 H new ATOM 0 HE1 HIS A 115 -24.570 10.431 7.194 1.00 44.31 H new ATOM 1878 N HIS A 116 -26.302 4.057 5.933 1.00 70.41 N ATOM 1879 CA HIS A 116 -27.292 3.788 7.010 1.00 74.02 C ATOM 1880 C HIS A 116 -26.657 4.024 8.390 1.00 70.54 C ATOM 1881 O HIS A 116 -27.369 4.183 9.387 1.00 71.32 O ATOM 1882 CB HIS A 116 -27.894 2.360 6.913 1.00 54.24 C ATOM 1883 CG HIS A 116 -28.898 2.189 5.812 1.00 73.04 C ATOM 1884 ND1 HIS A 116 -30.255 2.308 6.006 1.00 73.22 N ATOM 1885 CD2 HIS A 116 -28.739 1.893 4.509 1.00 3.32 C ATOM 1886 CE1 HIS A 116 -30.882 2.092 4.873 1.00 33.24 C ATOM 1887 NE2 HIS A 116 -29.986 1.838 3.939 1.00 0.30 N ATOM 0 H HIS A 116 -26.016 3.224 5.418 1.00 70.41 H new ATOM 0 HA HIS A 116 -28.118 4.487 6.877 1.00 74.02 H new ATOM 0 HB2 HIS A 116 -27.084 1.646 6.765 1.00 54.24 H new ATOM 0 HB3 HIS A 116 -28.368 2.112 7.863 1.00 54.24 H new ATOM 0 HD2 HIS A 116 -27.799 1.728 4.003 1.00 3.32 H new ATOM 0 HE1 HIS A 116 -31.952 2.118 4.730 1.00 33.24 H new ATOM 0 HE2 HIS A 116 -30.186 1.635 2.960 1.00 0.30 H new ATOM 1896 N HIS A 117 -25.307 4.036 8.436 1.00 72.32 N ATOM 1897 CA HIS A 117 -24.553 4.603 9.563 1.00 13.54 C ATOM 1898 C HIS A 117 -24.759 6.136 9.577 1.00 10.13 C ATOM 1899 O HIS A 117 -24.013 6.887 8.938 1.00 35.24 O ATOM 1900 CB HIS A 117 -23.043 4.228 9.485 1.00 75.44 C ATOM 1901 CG HIS A 117 -22.750 2.786 9.817 1.00 32.41 C ATOM 1902 ND1 HIS A 117 -22.334 2.372 11.066 1.00 1.23 N ATOM 1903 CD2 HIS A 117 -22.795 1.664 9.057 1.00 3.35 C ATOM 1904 CE1 HIS A 117 -22.140 1.070 11.057 1.00 33.14 C ATOM 1905 NE2 HIS A 117 -22.412 0.616 9.854 1.00 22.33 N ATOM 0 H HIS A 117 -24.718 3.655 7.696 1.00 72.32 H new ATOM 0 HA HIS A 117 -24.926 4.182 10.496 1.00 13.54 H new ATOM 0 HB2 HIS A 117 -22.678 4.440 8.480 1.00 75.44 H new ATOM 0 HB3 HIS A 117 -22.485 4.868 10.168 1.00 75.44 H new ATOM 0 HD2 HIS A 117 -23.080 1.606 8.017 1.00 3.35 H new ATOM 0 HE1 HIS A 117 -21.812 0.475 11.897 1.00 33.14 H new ATOM 0 HE2 HIS A 117 -22.348 -0.359 9.561 1.00 22.33 H new ATOM 1914 N HIS A 118 -25.843 6.551 10.247 1.00 75.22 N ATOM 1915 CA HIS A 118 -26.222 7.965 10.446 1.00 53.54 C ATOM 1916 C HIS A 118 -27.217 8.041 11.619 1.00 32.54 C ATOM 1917 O HIS A 118 -27.721 7.008 12.081 1.00 14.15 O ATOM 1918 CB HIS A 118 -26.842 8.597 9.157 1.00 11.23 C ATOM 1919 CG HIS A 118 -28.229 8.108 8.808 1.00 13.45 C ATOM 1920 ND1 HIS A 118 -29.376 8.682 9.309 1.00 25.33 N ATOM 1921 CD2 HIS A 118 -28.643 7.095 8.019 1.00 73.42 C ATOM 1922 CE1 HIS A 118 -30.422 8.037 8.843 1.00 54.21 C ATOM 1923 NE2 HIS A 118 -30.005 7.071 8.061 1.00 70.24 N ATOM 0 H HIS A 118 -26.500 5.900 10.678 1.00 75.22 H new ATOM 0 HA HIS A 118 -25.324 8.540 10.671 1.00 53.54 H new ATOM 0 HB2 HIS A 118 -26.876 9.679 9.282 1.00 11.23 H new ATOM 0 HB3 HIS A 118 -26.179 8.393 8.316 1.00 11.23 H new ATOM 0 HD1 HIS A 118 -29.409 9.481 9.942 1.00 25.33 H new ATOM 0 HD2 HIS A 118 -28.010 6.425 7.456 1.00 73.42 H new ATOM 0 HE1 HIS A 118 -31.454 8.265 9.067 1.00 54.21 H new ATOM 1932 N HIS A 119 -27.511 9.264 12.074 1.00 33.41 N ATOM 1933 CA HIS A 119 -28.417 9.497 13.208 1.00 63.40 C ATOM 1934 C HIS A 119 -29.898 9.380 12.768 1.00 53.02 C ATOM 1935 O HIS A 119 -30.323 10.037 11.810 1.00 12.20 O ATOM 1936 CB HIS A 119 -28.141 10.884 13.832 1.00 62.51 C ATOM 1937 CG HIS A 119 -28.966 11.178 15.063 1.00 5.31 C ATOM 1938 ND1 HIS A 119 -30.001 12.090 15.079 1.00 55.34 N ATOM 1939 CD2 HIS A 119 -28.917 10.658 16.317 1.00 72.30 C ATOM 1940 CE1 HIS A 119 -30.534 12.125 16.281 1.00 70.03 C ATOM 1941 NE2 HIS A 119 -29.899 11.263 17.048 1.00 61.51 N ATOM 0 H HIS A 119 -27.130 10.119 11.669 1.00 33.41 H new ATOM 0 HA HIS A 119 -28.231 8.731 13.961 1.00 63.40 H new ATOM 0 HB2 HIS A 119 -27.084 10.951 14.091 1.00 62.51 H new ATOM 0 HB3 HIS A 119 -28.336 11.653 13.084 1.00 62.51 H new ATOM 0 HD2 HIS A 119 -28.228 9.905 16.671 1.00 72.30 H new ATOM 0 HE1 HIS A 119 -31.355 12.755 16.588 1.00 70.03 H new ATOM 0 HE2 HIS A 119 -30.107 11.077 18.029 1.00 61.51 H new ATOM 1950 N HIS A 120 -30.648 8.530 13.482 1.00 31.44 N ATOM 1951 CA HIS A 120 -32.096 8.334 13.291 1.00 50.42 C ATOM 1952 C HIS A 120 -32.726 7.992 14.668 1.00 22.42 C ATOM 1953 O HIS A 120 -32.458 6.893 15.198 1.00 52.41 O ATOM 1954 CB HIS A 120 -32.375 7.219 12.236 1.00 61.05 C ATOM 1955 CG HIS A 120 -33.832 6.827 12.107 1.00 12.53 C ATOM 1956 ND1 HIS A 120 -34.301 5.577 12.443 1.00 74.23 N ATOM 1957 CD2 HIS A 120 -34.918 7.521 11.683 1.00 54.33 C ATOM 1958 CE1 HIS A 120 -35.596 5.515 12.227 1.00 71.04 C ATOM 1959 NE2 HIS A 120 -35.997 6.681 11.768 1.00 2.10 N ATOM 1960 OXT HIS A 120 -33.472 8.823 15.222 1.00 37.72 O ATOM 0 H HIS A 120 -30.260 7.947 14.224 1.00 31.44 H new ATOM 0 HA HIS A 120 -32.549 9.247 12.904 1.00 50.42 H new ATOM 0 HB2 HIS A 120 -32.016 7.558 11.264 1.00 61.05 H new ATOM 0 HB3 HIS A 120 -31.796 6.334 12.499 1.00 61.05 H new ATOM 0 HD2 HIS A 120 -34.930 8.546 11.342 1.00 54.33 H new ATOM 0 HE1 HIS A 120 -36.224 4.653 12.397 1.00 71.04 H new ATOM 0 HE2 HIS A 120 -36.956 6.921 11.516 1.00 2.10 H new TER 1969 HIS A 120