USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 810 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 111 MET CE :methyl -168:sc= -11.7! (180deg=-12.5!) USER MOD Set 1.2: A 114 HIS : no HE2:sc= -9.91! C(o=-22!,f=-21!) USER MOD Set 2.1: A 41 MET CE :methyl -161:sc= -1.81 (180deg=-2.13!) USER MOD Set 2.2: A 133 MET CE :methyl -177:sc= -6.45! (180deg=-6.23!) USER MOD Set 3.1: A 20 THR OG1 : rot -124:sc= -0.638 USER MOD Set 3.2: A 23 GLN : amide:sc= 0 K(o=-0.64,f=-1.5) USER MOD Single : A 3 SER OG : rot 55:sc= -0.107 USER MOD Single : A 9 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.28) USER MOD Single : A 12 THR OG1 : rot 160:sc= -0.385 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -100:sc= -0.859 USER MOD Single : A 33 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.62) USER MOD Single : A 37 ASN : amide:sc= -1.27 X(o=-1.3,f=-0.86) USER MOD Single : A 42 THR OG1 : rot 69:sc= 1.14 USER MOD Single : A 51 SER OG : rot 180:sc= -5.52! USER MOD Single : A 52 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-3.2!) USER MOD Single : A 55 ASN : amide:sc= -7.48! C(o=-7.5!,f=-10!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -126:sc= 0.023 USER MOD Single : A 66 ASN : amide:sc= -5.82! C(o=-5.8!,f=-12!) USER MOD Single : A 69 SER OG : rot 152:sc= -0.619 USER MOD Single : A 74 CYS SG : rot 58:sc= 1.64 USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0.029 X(o=0.029,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 153:sc= -0.224 (180deg=-0.851) USER MOD Single : A 105 MET CE :methyl -153:sc= -3.44! (180deg=-5.28!) USER MOD Single : A 107 HIS : no HD1:sc= -6.35! C(o=-6.3!,f=-5.9!) USER MOD Single : A 110 HIS : no HE2:sc= 0.104 K(o=0.1,f=-2.3) USER MOD Single : A 116 SER OG : rot 160:sc= -1.09 USER MOD Single : A 118 HIS : no HD1:sc= -0.253 X(o=-0.25,f=0.021) USER MOD Single : A 122 TYR OH : rot -37:sc= 0.15 USER MOD Single : A 124 HIS : no HD1:sc= -7.19! C(o=-7.2!,f=-9!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 97:sc= 1.2 USER MOD Single : A 139 GLN : amide:sc= -5.58! C(o=-5.6!,f=-8.7!) USER MOD Single : A 141 MET CE :methyl -127:sc= -7.13! (180deg=-12.8!) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 8.225 5.111 -14.616 1.00 1.94 N ATOM 2 CA SER A 3 6.783 5.468 -14.564 1.00 1.63 C ATOM 3 C SER A 3 6.138 4.984 -13.269 1.00 1.31 C ATOM 4 O SER A 3 5.775 3.814 -13.141 1.00 1.66 O ATOM 5 CB SER A 3 6.080 4.843 -15.771 1.00 1.81 C ATOM 6 OG SER A 3 5.904 3.449 -15.596 1.00 2.13 O ATOM 0 HA SER A 3 6.684 6.553 -14.592 1.00 1.63 H new ATOM 0 HB2 SER A 3 5.110 5.319 -15.917 1.00 1.81 H new ATOM 0 HB3 SER A 3 6.665 5.028 -16.672 1.00 1.81 H new ATOM 0 HG SER A 3 5.433 3.282 -14.753 1.00 2.13 H new ATOM 12 N VAL A 4 5.998 5.893 -12.310 1.00 1.30 N ATOM 13 CA VAL A 4 5.395 5.560 -11.027 1.00 1.06 C ATOM 14 C VAL A 4 3.873 5.604 -11.110 1.00 0.93 C ATOM 15 O VAL A 4 3.293 6.617 -11.503 1.00 1.44 O ATOM 16 CB VAL A 4 5.871 6.516 -9.913 1.00 1.68 C ATOM 17 CG1 VAL A 4 5.465 7.951 -10.220 1.00 1.82 C ATOM 18 CG2 VAL A 4 5.325 6.076 -8.562 1.00 2.29 C ATOM 0 H VAL A 4 6.294 6.865 -12.398 1.00 1.30 H new ATOM 0 HA VAL A 4 5.713 4.547 -10.780 1.00 1.06 H new ATOM 0 HB VAL A 4 6.959 6.476 -9.871 1.00 1.68 H new ATOM 0 HG11 VAL A 4 5.811 8.606 -9.421 1.00 1.82 H new ATOM 0 HG12 VAL A 4 5.913 8.262 -11.164 1.00 1.82 H new ATOM 0 HG13 VAL A 4 4.379 8.014 -10.296 1.00 1.82 H new ATOM 0 HG21 VAL A 4 5.671 6.762 -7.789 1.00 2.29 H new ATOM 0 HG22 VAL A 4 4.235 6.081 -8.591 1.00 2.29 H new ATOM 0 HG23 VAL A 4 5.677 5.069 -8.338 1.00 2.29 H new ATOM 22 N LEU A 5 3.232 4.501 -10.741 1.00 0.94 N ATOM 23 CA LEU A 5 1.779 4.417 -10.780 1.00 1.34 C ATOM 24 C LEU A 5 1.229 3.800 -9.496 1.00 1.09 C ATOM 25 O LEU A 5 1.707 2.765 -9.037 1.00 1.34 O ATOM 26 CB LEU A 5 1.326 3.593 -11.987 1.00 2.05 C ATOM 27 CG LEU A 5 -0.001 4.031 -12.609 1.00 2.97 C ATOM 28 CD1 LEU A 5 0.240 5.030 -13.730 1.00 3.92 C ATOM 29 CD2 LEU A 5 -0.769 2.824 -13.126 1.00 3.33 C ATOM 0 H LEU A 5 3.696 3.654 -10.412 1.00 0.94 H new ATOM 0 HA LEU A 5 1.388 5.430 -10.870 1.00 1.34 H new ATOM 0 HB2 LEU A 5 2.101 3.640 -12.752 1.00 2.05 H new ATOM 0 HB3 LEU A 5 1.241 2.549 -11.684 1.00 2.05 H new ATOM 0 HG LEU A 5 -0.600 4.517 -11.839 1.00 2.97 H new ATOM 0 HD11 LEU A 5 -0.715 5.331 -14.161 1.00 3.92 H new ATOM 0 HD12 LEU A 5 0.751 5.907 -13.332 1.00 3.92 H new ATOM 0 HD13 LEU A 5 0.857 4.569 -14.501 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -1.711 3.153 -13.565 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -0.175 2.312 -13.883 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -0.972 2.141 -12.301 1.00 3.33 H new ATOM 35 N VAL A 6 0.218 4.445 -8.928 1.00 0.88 N ATOM 36 CA VAL A 6 -0.408 3.963 -7.704 1.00 0.75 C ATOM 37 C VAL A 6 -1.892 4.309 -7.694 1.00 0.75 C ATOM 38 O VAL A 6 -2.307 5.301 -8.292 1.00 1.03 O ATOM 39 CB VAL A 6 0.269 4.554 -6.451 1.00 0.94 C ATOM 40 CG1 VAL A 6 1.763 4.269 -6.468 1.00 1.26 C ATOM 41 CG2 VAL A 6 0.009 6.049 -6.352 1.00 1.02 C ATOM 0 H VAL A 6 -0.187 5.306 -9.297 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.287 2.880 -7.680 1.00 0.75 H new ATOM 0 HB VAL A 6 -0.162 4.076 -5.572 1.00 0.94 H new ATOM 0 HG11 VAL A 6 2.225 4.693 -5.576 1.00 1.26 H new ATOM 0 HG12 VAL A 6 1.928 3.192 -6.484 1.00 1.26 H new ATOM 0 HG13 VAL A 6 2.209 4.718 -7.356 1.00 1.26 H new ATOM 0 HG21 VAL A 6 0.496 6.445 -5.461 1.00 1.02 H new ATOM 0 HG22 VAL A 6 0.409 6.547 -7.235 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -1.064 6.228 -6.289 1.00 1.02 H new ATOM 45 N ASP A 7 -2.694 3.491 -7.019 1.00 0.72 N ATOM 46 CA ASP A 7 -4.130 3.737 -6.957 1.00 0.83 C ATOM 47 C ASP A 7 -4.765 3.084 -5.734 1.00 0.75 C ATOM 48 O ASP A 7 -4.849 1.859 -5.643 1.00 0.99 O ATOM 49 CB ASP A 7 -4.808 3.225 -8.228 1.00 1.02 C ATOM 50 CG ASP A 7 -4.794 4.251 -9.345 1.00 1.78 C ATOM 51 OD1 ASP A 7 -4.679 5.456 -9.041 1.00 2.33 O ATOM 52 OD2 ASP A 7 -4.899 3.847 -10.523 1.00 2.52 O ATOM 0 H ASP A 7 -2.379 2.663 -6.514 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.274 4.814 -6.874 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -4.305 2.319 -8.565 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -5.839 2.952 -8.002 1.00 1.02 H new ATOM 57 N LEU A 8 -5.228 3.914 -4.805 1.00 0.63 N ATOM 58 CA LEU A 8 -5.880 3.425 -3.598 1.00 0.74 C ATOM 59 C LEU A 8 -7.386 3.626 -3.706 1.00 0.59 C ATOM 60 O LEU A 8 -7.844 4.611 -4.284 1.00 0.79 O ATOM 61 CB LEU A 8 -5.338 4.148 -2.363 1.00 1.20 C ATOM 62 CG LEU A 8 -5.571 5.659 -2.339 1.00 0.83 C ATOM 63 CD1 LEU A 8 -6.872 5.988 -1.620 1.00 1.78 C ATOM 64 CD2 LEU A 8 -4.399 6.365 -1.676 1.00 1.52 C ATOM 0 H LEU A 8 -5.163 4.930 -4.866 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.669 2.361 -3.493 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -5.797 3.712 -1.476 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -4.267 3.960 -2.293 1.00 1.20 H new ATOM 0 HG LEU A 8 -5.650 6.013 -3.367 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -7.021 7.068 -1.613 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -7.704 5.510 -2.137 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -6.824 5.622 -0.595 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -4.580 7.440 -1.667 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -4.290 6.006 -0.652 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -3.486 6.156 -2.233 1.00 1.52 H new ATOM 70 N GLN A 9 -8.162 2.689 -3.166 1.00 0.65 N ATOM 71 CA GLN A 9 -9.618 2.796 -3.241 1.00 0.80 C ATOM 72 C GLN A 9 -10.300 2.421 -1.927 1.00 0.79 C ATOM 73 O GLN A 9 -10.008 1.379 -1.334 1.00 0.81 O ATOM 74 CB GLN A 9 -10.154 1.915 -4.371 1.00 1.03 C ATOM 75 CG GLN A 9 -9.532 0.528 -4.412 1.00 1.27 C ATOM 76 CD GLN A 9 -9.704 -0.147 -5.760 1.00 1.82 C ATOM 77 OE1 GLN A 9 -10.682 0.093 -6.466 1.00 2.23 O ATOM 78 NE2 GLN A 9 -8.751 -0.998 -6.120 1.00 2.59 N ATOM 0 H GLN A 9 -7.816 1.861 -2.680 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.851 3.842 -3.443 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -11.234 1.816 -4.262 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -9.974 2.412 -5.324 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -8.470 0.603 -4.180 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -9.984 -0.092 -3.638 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -7.957 -1.166 -5.502 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -8.812 -1.484 -7.015 1.00 2.59 H new ATOM 85 N ILE A 10 -11.226 3.278 -1.495 1.00 0.83 N ATOM 86 CA ILE A 10 -11.985 3.058 -0.268 1.00 0.86 C ATOM 87 C ILE A 10 -13.081 2.020 -0.497 1.00 1.02 C ATOM 88 O ILE A 10 -13.534 1.824 -1.626 1.00 1.23 O ATOM 89 CB ILE A 10 -12.620 4.374 0.241 1.00 0.96 C ATOM 90 CG1 ILE A 10 -13.166 4.192 1.659 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.721 4.843 -0.702 1.00 1.28 C ATOM 92 CD1 ILE A 10 -12.093 3.942 2.697 1.00 1.19 C ATOM 0 H ILE A 10 -11.469 4.139 -1.985 1.00 0.83 H new ATOM 0 HA ILE A 10 -11.290 2.691 0.488 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.845 5.140 0.266 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -13.729 5.082 1.939 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -13.866 3.357 1.665 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -14.153 5.770 -0.324 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -13.302 5.016 -1.693 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -14.497 4.080 -0.764 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -12.555 3.823 3.677 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -11.544 3.035 2.442 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -11.405 4.787 2.721 1.00 1.19 H new ATOM 96 N ALA A 11 -13.497 1.352 0.571 1.00 0.97 N ATOM 97 CA ALA A 11 -14.531 0.329 0.473 1.00 1.15 C ATOM 98 C ALA A 11 -15.608 0.520 1.536 1.00 1.15 C ATOM 99 O ALA A 11 -16.132 -0.451 2.084 1.00 1.32 O ATOM 100 CB ALA A 11 -13.907 -1.050 0.597 1.00 1.30 C ATOM 0 H ALA A 11 -13.136 1.499 1.513 1.00 0.97 H new ATOM 0 HA ALA A 11 -15.008 0.422 -0.502 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -14.685 -1.810 0.523 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.182 -1.194 -0.204 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -13.406 -1.137 1.561 1.00 1.30 H new ATOM 106 N THR A 12 -15.936 1.774 1.825 1.00 1.10 N ATOM 107 CA THR A 12 -16.952 2.088 2.823 1.00 1.29 C ATOM 108 C THR A 12 -17.983 3.063 2.263 1.00 1.72 C ATOM 109 O THR A 12 -17.719 3.772 1.293 1.00 2.07 O ATOM 110 CB THR A 12 -16.300 2.679 4.075 1.00 1.15 C ATOM 111 OG1 THR A 12 -15.034 3.233 3.767 1.00 1.78 O ATOM 112 CG2 THR A 12 -16.101 1.665 5.179 1.00 1.29 C ATOM 0 H THR A 12 -15.513 2.590 1.382 1.00 1.10 H new ATOM 0 HA THR A 12 -17.463 1.163 3.090 1.00 1.29 H new ATOM 0 HB THR A 12 -16.991 3.445 4.427 1.00 1.15 H new ATOM 0 HG1 THR A 12 -14.777 3.871 4.466 1.00 1.78 H new ATOM 0 HG21 THR A 12 -15.635 2.149 6.037 1.00 1.29 H new ATOM 0 HG22 THR A 12 -17.067 1.254 5.474 1.00 1.29 H new ATOM 0 HG23 THR A 12 -15.458 0.860 4.822 1.00 1.29 H new ATOM 117 N GLU A 13 -19.156 3.096 2.887 1.00 2.10 N ATOM 118 CA GLU A 13 -20.224 3.989 2.456 1.00 2.62 C ATOM 119 C GLU A 13 -20.077 5.358 3.116 1.00 2.49 C ATOM 120 O GLU A 13 -20.493 6.375 2.560 1.00 2.85 O ATOM 121 CB GLU A 13 -21.591 3.384 2.794 1.00 3.24 C ATOM 122 CG GLU A 13 -22.529 3.301 1.601 1.00 3.89 C ATOM 123 CD GLU A 13 -23.692 4.269 1.703 1.00 4.72 C ATOM 124 OE1 GLU A 13 -23.458 5.491 1.600 1.00 5.27 O ATOM 125 OE2 GLU A 13 -24.837 3.804 1.888 1.00 5.17 O ATOM 0 H GLU A 13 -19.390 2.515 3.692 1.00 2.10 H new ATOM 0 HA GLU A 13 -20.152 4.115 1.376 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -21.446 2.384 3.202 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -22.061 3.982 3.575 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -21.969 3.507 0.689 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -22.914 2.285 1.516 1.00 3.89 H new ATOM 132 N ASN A 14 -19.480 5.373 4.304 1.00 2.26 N ATOM 133 CA ASN A 14 -19.272 6.613 5.042 1.00 2.51 C ATOM 134 C ASN A 14 -18.190 6.435 6.103 1.00 1.99 C ATOM 135 O ASN A 14 -18.180 5.443 6.832 1.00 1.78 O ATOM 136 CB ASN A 14 -20.580 7.068 5.695 1.00 3.10 C ATOM 137 CG ASN A 14 -21.129 8.335 5.068 1.00 3.79 C ATOM 138 OD1 ASN A 14 -20.584 9.422 5.260 1.00 4.30 O ATOM 139 ND2 ASN A 14 -22.213 8.201 4.315 1.00 4.18 N ATOM 0 H ASN A 14 -19.132 4.539 4.776 1.00 2.26 H new ATOM 0 HA ASN A 14 -18.943 7.378 4.339 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -21.321 6.273 5.610 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -20.413 7.235 6.759 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -22.628 9.019 3.868 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -22.632 7.280 4.183 1.00 4.18 H new ATOM 144 N ILE A 15 -17.281 7.401 6.184 1.00 2.45 N ATOM 145 CA ILE A 15 -16.194 7.348 7.156 1.00 2.24 C ATOM 146 C ILE A 15 -15.844 8.738 7.673 1.00 1.60 C ATOM 147 O ILE A 15 -16.450 9.733 7.276 1.00 1.92 O ATOM 148 CB ILE A 15 -14.921 6.702 6.569 1.00 3.00 C ATOM 149 CG1 ILE A 15 -14.802 6.989 5.069 1.00 2.89 C ATOM 150 CG2 ILE A 15 -14.921 5.205 6.829 1.00 3.77 C ATOM 151 CD1 ILE A 15 -14.754 8.464 4.738 1.00 3.61 C ATOM 0 H ILE A 15 -17.275 8.229 5.589 1.00 2.45 H new ATOM 0 HA ILE A 15 -16.554 6.731 7.979 1.00 2.24 H new ATOM 0 HB ILE A 15 -14.055 7.142 7.065 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -13.901 6.509 4.686 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -15.648 6.536 4.552 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -14.017 4.763 6.409 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -14.949 5.022 7.903 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -15.796 4.754 6.361 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -14.670 8.592 3.659 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -15.666 8.946 5.090 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -13.892 8.919 5.226 1.00 3.61 H new ATOM 155 N GLU A 16 -14.859 8.795 8.562 1.00 1.45 N ATOM 156 CA GLU A 16 -14.418 10.056 9.141 1.00 1.67 C ATOM 157 C GLU A 16 -13.593 10.856 8.136 1.00 1.94 C ATOM 158 O GLU A 16 -13.600 12.087 8.153 1.00 2.67 O ATOM 159 CB GLU A 16 -13.595 9.793 10.406 1.00 2.11 C ATOM 160 CG GLU A 16 -14.118 10.519 11.634 1.00 3.11 C ATOM 161 CD GLU A 16 -15.483 10.022 12.069 1.00 3.84 C ATOM 162 OE1 GLU A 16 -15.615 8.810 12.340 1.00 4.13 O ATOM 163 OE2 GLU A 16 -16.421 10.845 12.137 1.00 4.53 O ATOM 0 H GLU A 16 -14.349 7.978 8.898 1.00 1.45 H new ATOM 0 HA GLU A 16 -15.300 10.641 9.403 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -13.583 8.721 10.605 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -12.563 10.095 10.227 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -13.411 10.393 12.454 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -14.175 11.587 11.423 1.00 3.11 H new ATOM 170 N GLY A 17 -12.884 10.148 7.263 1.00 1.95 N ATOM 171 CA GLY A 17 -12.066 10.809 6.263 1.00 2.86 C ATOM 172 C GLY A 17 -11.769 9.919 5.072 1.00 2.74 C ATOM 173 O GLY A 17 -10.883 9.066 5.131 1.00 3.16 O ATOM 0 H GLY A 17 -12.861 9.129 7.230 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -12.575 11.710 5.921 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -11.128 11.126 6.718 1.00 2.86 H new ATOM 177 N LEU A 18 -12.511 10.118 3.987 1.00 2.64 N ATOM 178 CA LEU A 18 -12.322 9.326 2.777 1.00 2.63 C ATOM 179 C LEU A 18 -10.898 9.479 2.249 1.00 2.01 C ATOM 180 O LEU A 18 -10.507 10.560 1.808 1.00 2.22 O ATOM 181 CB LEU A 18 -13.326 9.753 1.702 1.00 3.46 C ATOM 182 CG LEU A 18 -13.447 8.804 0.507 1.00 3.97 C ATOM 183 CD1 LEU A 18 -12.207 8.885 -0.373 1.00 4.46 C ATOM 184 CD2 LEU A 18 -13.679 7.375 0.980 1.00 4.91 C ATOM 0 H LEU A 18 -13.248 10.820 3.921 1.00 2.64 H new ATOM 0 HA LEU A 18 -12.490 8.278 3.025 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -14.308 9.855 2.165 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -13.043 10.739 1.335 1.00 3.46 H new ATOM 0 HG LEU A 18 -14.307 9.112 -0.088 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -12.314 8.203 -1.216 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -12.089 9.903 -0.743 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -11.329 8.607 0.209 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -13.762 6.715 0.117 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -12.841 7.057 1.601 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -14.600 7.329 1.562 1.00 4.91 H new ATOM 190 N PRO A 19 -10.097 8.399 2.283 1.00 1.58 N ATOM 191 CA PRO A 19 -8.712 8.433 1.802 1.00 1.46 C ATOM 192 C PRO A 19 -8.624 8.796 0.324 1.00 1.48 C ATOM 193 O PRO A 19 -8.616 7.921 -0.540 1.00 2.32 O ATOM 194 CB PRO A 19 -8.208 7.003 2.035 1.00 1.63 C ATOM 195 CG PRO A 19 -9.438 6.174 2.163 1.00 1.84 C ATOM 196 CD PRO A 19 -10.469 7.066 2.787 1.00 1.84 C ATOM 0 HA PRO A 19 -8.123 9.190 2.319 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -7.588 6.663 1.205 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -7.596 6.942 2.935 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -9.770 5.814 1.189 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -9.255 5.296 2.782 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.479 6.788 2.487 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -10.436 7.022 3.876 1.00 1.84 H new ATOM 204 N THR A 20 -8.558 10.094 0.043 1.00 1.19 N ATOM 205 CA THR A 20 -8.469 10.573 -1.330 1.00 1.25 C ATOM 206 C THR A 20 -7.128 10.192 -1.947 1.00 1.21 C ATOM 207 O THR A 20 -6.073 10.443 -1.366 1.00 1.19 O ATOM 208 CB THR A 20 -8.653 12.090 -1.377 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.527 12.749 -0.826 1.00 1.78 O ATOM 210 CG2 THR A 20 -9.878 12.568 -0.625 1.00 2.03 C ATOM 0 H THR A 20 -8.565 10.831 0.748 1.00 1.19 H new ATOM 0 HA THR A 20 -9.264 10.102 -1.908 1.00 1.25 H new ATOM 0 HB THR A 20 -8.776 12.333 -2.432 1.00 1.39 H new ATOM 0 HG1 THR A 20 -7.817 13.344 -0.103 1.00 1.78 H new ATOM 0 HG21 THR A 20 -9.949 13.653 -0.698 1.00 2.03 H new ATOM 0 HG22 THR A 20 -10.770 12.116 -1.058 1.00 2.03 H new ATOM 0 HG23 THR A 20 -9.797 12.280 0.423 1.00 2.03 H new ATOM 215 N GLU A 21 -7.177 9.579 -3.124 1.00 1.30 N ATOM 216 CA GLU A 21 -5.963 9.160 -3.814 1.00 1.28 C ATOM 217 C GLU A 21 -5.092 10.357 -4.175 1.00 1.19 C ATOM 218 O GLU A 21 -3.885 10.344 -3.946 1.00 1.10 O ATOM 219 CB GLU A 21 -6.308 8.363 -5.074 1.00 1.44 C ATOM 220 CG GLU A 21 -7.423 8.979 -5.907 1.00 1.56 C ATOM 221 CD GLU A 21 -6.963 9.380 -7.294 1.00 1.94 C ATOM 222 OE1 GLU A 21 -5.784 9.764 -7.441 1.00 2.54 O ATOM 223 OE2 GLU A 21 -7.783 9.312 -8.235 1.00 2.04 O ATOM 0 H GLU A 21 -8.042 9.362 -3.619 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.400 8.521 -3.134 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.414 8.273 -5.691 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -6.599 7.353 -4.785 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -8.243 8.266 -5.993 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -7.815 9.856 -5.391 1.00 1.56 H new ATOM 230 N GLU A 22 -5.704 11.392 -4.741 1.00 1.24 N ATOM 231 CA GLU A 22 -4.965 12.590 -5.130 1.00 1.18 C ATOM 232 C GLU A 22 -4.060 13.070 -3.998 1.00 1.05 C ATOM 233 O GLU A 22 -2.852 13.235 -4.181 1.00 0.99 O ATOM 234 CB GLU A 22 -5.937 13.703 -5.532 1.00 1.26 C ATOM 235 CG GLU A 22 -6.076 13.875 -7.036 1.00 1.93 C ATOM 236 CD GLU A 22 -5.198 14.985 -7.580 1.00 2.47 C ATOM 237 OE1 GLU A 22 -3.965 14.915 -7.387 1.00 3.23 O ATOM 238 OE2 GLU A 22 -5.742 15.924 -8.198 1.00 2.76 O ATOM 0 H GLU A 22 -6.704 11.427 -4.940 1.00 1.24 H new ATOM 0 HA GLU A 22 -4.337 12.337 -5.984 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -6.918 13.489 -5.107 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -5.600 14.644 -5.097 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -5.819 12.938 -7.530 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -7.117 14.088 -7.279 1.00 1.93 H new ATOM 245 N GLN A 23 -4.650 13.286 -2.827 1.00 1.02 N ATOM 246 CA GLN A 23 -3.898 13.745 -1.664 1.00 0.93 C ATOM 247 C GLN A 23 -2.820 12.740 -1.274 1.00 0.82 C ATOM 248 O GLN A 23 -1.630 13.051 -1.305 1.00 0.77 O ATOM 249 CB GLN A 23 -4.841 13.983 -0.483 1.00 0.99 C ATOM 250 CG GLN A 23 -4.324 15.012 0.509 1.00 0.97 C ATOM 251 CD GLN A 23 -5.407 15.519 1.442 1.00 1.14 C ATOM 252 OE1 GLN A 23 -6.501 14.959 1.502 1.00 2.08 O ATOM 253 NE2 GLN A 23 -5.105 16.584 2.175 1.00 1.09 N ATOM 0 H GLN A 23 -5.647 13.151 -2.658 1.00 1.02 H new ATOM 0 HA GLN A 23 -3.411 14.684 -1.929 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.809 14.310 -0.862 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -5.004 13.039 0.037 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -3.520 14.571 1.098 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -3.896 15.853 -0.036 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -4.185 17.016 2.092 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -5.793 16.970 2.821 1.00 1.09 H new ATOM 260 N ILE A 24 -3.243 11.535 -0.905 1.00 0.83 N ATOM 261 CA ILE A 24 -2.310 10.485 -0.507 1.00 0.74 C ATOM 262 C ILE A 24 -1.276 10.222 -1.598 1.00 0.69 C ATOM 263 O ILE A 24 -0.078 10.446 -1.403 1.00 0.67 O ATOM 264 CB ILE A 24 -3.050 9.170 -0.186 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.132 9.412 0.871 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.067 8.109 0.290 1.00 0.85 C ATOM 267 CD1 ILE A 24 -4.888 8.161 1.263 1.00 1.43 C ATOM 0 H ILE A 24 -4.225 11.261 -0.873 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.802 10.837 0.391 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.530 8.811 -1.096 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -3.670 9.840 1.760 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -4.839 10.150 0.492 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.605 7.188 0.512 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.330 7.919 -0.490 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.561 8.459 1.190 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -5.637 8.409 2.015 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -5.380 7.743 0.385 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -4.192 7.429 1.672 1.00 1.43 H new ATOM 271 N VAL A 25 -1.749 9.747 -2.747 1.00 0.77 N ATOM 272 CA VAL A 25 -0.874 9.450 -3.877 1.00 0.77 C ATOM 273 C VAL A 25 0.097 10.597 -4.143 1.00 0.74 C ATOM 274 O VAL A 25 1.312 10.402 -4.134 1.00 0.73 O ATOM 275 CB VAL A 25 -1.687 9.160 -5.156 1.00 0.91 C ATOM 276 CG1 VAL A 25 -0.765 8.916 -6.342 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.609 7.968 -4.942 1.00 1.45 C ATOM 0 H VAL A 25 -2.736 9.559 -2.920 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.305 8.559 -3.611 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.298 10.036 -5.376 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.362 8.714 -7.231 1.00 0.85 H new ATOM 0 HG12 VAL A 25 -0.149 9.799 -6.512 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.123 8.060 -6.134 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.175 7.777 -5.854 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.015 7.089 -4.693 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.298 8.183 -4.126 1.00 1.45 H new ATOM 281 N GLN A 26 -0.439 11.794 -4.375 1.00 0.76 N ATOM 282 CA GLN A 26 0.402 12.956 -4.636 1.00 0.77 C ATOM 283 C GLN A 26 1.324 13.230 -3.454 1.00 0.72 C ATOM 284 O GLN A 26 2.522 13.452 -3.620 1.00 0.71 O ATOM 285 CB GLN A 26 -0.459 14.188 -4.924 1.00 0.85 C ATOM 286 CG GLN A 26 0.316 15.339 -5.546 1.00 0.94 C ATOM 287 CD GLN A 26 -0.228 16.695 -5.138 1.00 1.33 C ATOM 288 OE1 GLN A 26 0.029 17.172 -4.032 1.00 1.72 O ATOM 289 NE2 GLN A 26 -0.983 17.323 -6.031 1.00 2.19 N ATOM 0 H GLN A 26 -1.441 11.982 -4.387 1.00 0.76 H new ATOM 0 HA GLN A 26 1.013 12.741 -5.513 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -1.272 13.905 -5.593 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.915 14.528 -3.994 1.00 0.85 H new ATOM 0 HG2 GLN A 26 1.363 15.268 -5.252 1.00 0.94 H new ATOM 0 HG3 GLN A 26 0.283 15.250 -6.632 1.00 0.94 H new ATOM 0 HE21 GLN A 26 -1.170 16.890 -6.935 1.00 2.19 H new ATOM 0 HE22 GLN A 26 -1.376 18.239 -5.813 1.00 2.19 H new ATOM 296 N TRP A 27 0.759 13.205 -2.254 1.00 0.74 N ATOM 297 CA TRP A 27 1.534 13.448 -1.043 1.00 0.76 C ATOM 298 C TRP A 27 2.776 12.556 -1.004 1.00 0.69 C ATOM 299 O TRP A 27 3.905 13.049 -1.002 1.00 0.67 O ATOM 300 CB TRP A 27 0.650 13.205 0.188 1.00 0.92 C ATOM 301 CG TRP A 27 1.411 12.972 1.460 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.162 12.007 2.392 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.537 13.715 1.941 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.063 12.103 3.422 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.918 13.141 3.169 1.00 0.81 C ATOM 306 CE3 TRP A 27 3.263 14.805 1.453 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.990 13.622 3.915 1.00 0.79 C ATOM 308 CZ3 TRP A 27 4.327 15.282 2.196 1.00 0.98 C ATOM 309 CH2 TRP A 27 4.682 14.689 3.415 1.00 0.87 C ATOM 0 H TRP A 27 -0.231 13.019 -2.093 1.00 0.74 H new ATOM 0 HA TRP A 27 1.871 14.485 -1.040 1.00 0.76 H new ATOM 0 HB2 TRP A 27 -0.007 14.064 0.324 1.00 0.92 H new ATOM 0 HB3 TRP A 27 0.012 12.342 -0.003 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.371 11.274 2.328 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.091 11.499 4.243 1.00 1.02 H new ATOM 0 HE3 TRP A 27 2.998 15.266 0.513 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 4.265 13.168 4.856 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 4.894 16.126 1.831 1.00 0.98 H new ATOM 0 HH2 TRP A 27 5.520 15.083 3.971 1.00 0.87 H new ATOM 320 N ALA A 28 2.563 11.245 -0.984 1.00 0.70 N ATOM 321 CA ALA A 28 3.674 10.299 -0.948 1.00 0.72 C ATOM 322 C ALA A 28 4.268 10.087 -2.337 1.00 0.68 C ATOM 323 O ALA A 28 5.333 10.620 -2.659 1.00 0.73 O ATOM 324 CB ALA A 28 3.215 8.973 -0.356 1.00 0.78 C ATOM 0 H ALA A 28 1.638 10.814 -0.992 1.00 0.70 H new ATOM 0 HA ALA A 28 4.455 10.718 -0.314 1.00 0.72 H new ATOM 0 HB1 ALA A 28 4.052 8.275 -0.334 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.850 9.134 0.658 1.00 0.78 H new ATOM 0 HB3 ALA A 28 2.414 8.559 -0.968 1.00 0.78 H new ATOM 330 N THR A 29 3.577 9.300 -3.154 1.00 0.63 N ATOM 331 CA THR A 29 4.037 9.009 -4.506 1.00 0.67 C ATOM 332 C THR A 29 4.350 10.289 -5.278 1.00 0.64 C ATOM 333 O THR A 29 5.350 10.360 -5.993 1.00 0.72 O ATOM 334 CB THR A 29 2.993 8.183 -5.261 1.00 0.69 C ATOM 335 OG1 THR A 29 1.979 7.727 -4.382 1.00 1.02 O ATOM 336 CG2 THR A 29 3.582 6.972 -5.949 1.00 0.74 C ATOM 0 H THR A 29 2.696 8.852 -2.903 1.00 0.63 H new ATOM 0 HA THR A 29 4.957 8.431 -4.423 1.00 0.67 H new ATOM 0 HB THR A 29 2.584 8.853 -6.018 1.00 0.69 H new ATOM 0 HG1 THR A 29 2.151 6.793 -4.141 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.792 6.428 -6.467 1.00 0.74 H new ATOM 0 HG22 THR A 29 4.334 7.293 -6.670 1.00 0.74 H new ATOM 0 HG23 THR A 29 4.045 6.321 -5.207 1.00 0.74 H new ATOM 341 N GLY A 30 3.495 11.299 -5.132 1.00 0.60 N ATOM 342 CA GLY A 30 3.717 12.551 -5.828 1.00 0.64 C ATOM 343 C GLY A 30 5.050 13.174 -5.469 1.00 0.66 C ATOM 344 O GLY A 30 5.794 13.606 -6.347 1.00 0.72 O ATOM 0 H GLY A 30 2.659 11.272 -4.548 1.00 0.60 H new ATOM 0 HA2 GLY A 30 3.675 12.380 -6.904 1.00 0.64 H new ATOM 0 HA3 GLY A 30 2.915 13.248 -5.585 1.00 0.64 H new ATOM 348 N ALA A 31 5.365 13.207 -4.176 1.00 0.65 N ATOM 349 CA ALA A 31 6.633 13.767 -3.726 1.00 0.73 C ATOM 350 C ALA A 31 7.805 13.038 -4.382 1.00 0.75 C ATOM 351 O ALA A 31 8.908 13.574 -4.480 1.00 0.83 O ATOM 352 CB ALA A 31 6.737 13.689 -2.211 1.00 0.82 C ATOM 0 H ALA A 31 4.765 12.856 -3.430 1.00 0.65 H new ATOM 0 HA ALA A 31 6.673 14.815 -4.023 1.00 0.73 H new ATOM 0 HB1 ALA A 31 7.689 14.111 -1.889 1.00 0.82 H new ATOM 0 HB2 ALA A 31 5.920 14.253 -1.761 1.00 0.82 H new ATOM 0 HB3 ALA A 31 6.677 12.647 -1.895 1.00 0.82 H new ATOM 358 N VAL A 32 7.552 11.807 -4.827 1.00 0.76 N ATOM 359 CA VAL A 32 8.578 10.992 -5.470 1.00 0.87 C ATOM 360 C VAL A 32 8.599 11.202 -6.985 1.00 0.91 C ATOM 361 O VAL A 32 9.626 11.000 -7.633 1.00 1.03 O ATOM 362 CB VAL A 32 8.359 9.496 -5.170 1.00 1.04 C ATOM 363 CG1 VAL A 32 9.371 8.634 -5.916 1.00 1.07 C ATOM 364 CG2 VAL A 32 8.430 9.245 -3.672 1.00 1.23 C ATOM 0 H VAL A 32 6.642 11.353 -4.753 1.00 0.76 H new ATOM 0 HA VAL A 32 9.537 11.309 -5.060 1.00 0.87 H new ATOM 0 HB VAL A 32 7.366 9.216 -5.521 1.00 1.04 H new ATOM 0 HG11 VAL A 32 9.194 7.583 -5.686 1.00 1.07 H new ATOM 0 HG12 VAL A 32 9.264 8.794 -6.989 1.00 1.07 H new ATOM 0 HG13 VAL A 32 10.380 8.908 -5.607 1.00 1.07 H new ATOM 0 HG21 VAL A 32 8.274 8.185 -3.473 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.410 9.544 -3.299 1.00 1.23 H new ATOM 0 HG23 VAL A 32 7.657 9.826 -3.169 1.00 1.23 H new ATOM 368 N GLN A 33 7.458 11.598 -7.542 1.00 0.90 N ATOM 369 CA GLN A 33 7.336 11.826 -8.981 1.00 1.04 C ATOM 370 C GLN A 33 8.535 12.587 -9.556 1.00 1.07 C ATOM 371 O GLN A 33 9.110 12.167 -10.561 1.00 1.22 O ATOM 372 CB GLN A 33 6.043 12.585 -9.286 1.00 1.22 C ATOM 373 CG GLN A 33 5.051 11.784 -10.113 1.00 1.37 C ATOM 374 CD GLN A 33 3.803 11.417 -9.334 1.00 1.19 C ATOM 375 OE1 GLN A 33 2.764 12.064 -9.462 1.00 1.67 O ATOM 376 NE2 GLN A 33 3.901 10.373 -8.519 1.00 1.88 N ATOM 0 H GLN A 33 6.600 11.769 -7.017 1.00 0.90 H new ATOM 0 HA GLN A 33 7.312 10.847 -9.460 1.00 1.04 H new ATOM 0 HB2 GLN A 33 5.571 12.875 -8.347 1.00 1.22 H new ATOM 0 HB3 GLN A 33 6.288 13.505 -9.817 1.00 1.22 H new ATOM 0 HG2 GLN A 33 4.768 12.361 -10.993 1.00 1.37 H new ATOM 0 HG3 GLN A 33 5.533 10.874 -10.470 1.00 1.37 H new ATOM 0 HE21 GLN A 33 4.783 9.865 -8.444 1.00 1.88 H new ATOM 0 HE22 GLN A 33 3.095 10.079 -7.968 1.00 1.88 H new ATOM 383 N PRO A 34 8.927 13.723 -8.940 1.00 1.04 N ATOM 384 CA PRO A 34 10.050 14.540 -9.402 1.00 1.23 C ATOM 385 C PRO A 34 11.211 13.709 -9.951 1.00 1.50 C ATOM 386 O PRO A 34 11.903 14.132 -10.876 1.00 1.84 O ATOM 387 CB PRO A 34 10.484 15.309 -8.142 1.00 1.29 C ATOM 388 CG PRO A 34 9.491 14.960 -7.071 1.00 1.15 C ATOM 389 CD PRO A 34 8.314 14.322 -7.753 1.00 0.96 C ATOM 0 HA PRO A 34 9.757 15.184 -10.232 1.00 1.23 H new ATOM 0 HB2 PRO A 34 11.493 15.027 -7.843 1.00 1.29 H new ATOM 0 HB3 PRO A 34 10.495 16.383 -8.327 1.00 1.29 H new ATOM 0 HG2 PRO A 34 9.932 14.278 -6.344 1.00 1.15 H new ATOM 0 HG3 PRO A 34 9.183 15.852 -6.525 1.00 1.15 H new ATOM 0 HD2 PRO A 34 7.835 13.574 -7.122 1.00 0.96 H new ATOM 0 HD3 PRO A 34 7.550 15.054 -8.015 1.00 0.96 H new ATOM 397 N GLU A 35 11.415 12.525 -9.382 1.00 1.43 N ATOM 398 CA GLU A 35 12.490 11.645 -9.828 1.00 1.69 C ATOM 399 C GLU A 35 12.003 10.723 -10.943 1.00 1.95 C ATOM 400 O GLU A 35 12.590 10.679 -12.025 1.00 2.55 O ATOM 401 CB GLU A 35 13.024 10.814 -8.658 1.00 1.58 C ATOM 402 CG GLU A 35 14.139 9.856 -9.048 1.00 2.20 C ATOM 403 CD GLU A 35 15.515 10.398 -8.715 1.00 2.95 C ATOM 404 OE1 GLU A 35 15.960 10.220 -7.562 1.00 3.53 O ATOM 405 OE2 GLU A 35 16.149 10.999 -9.608 1.00 3.47 O ATOM 0 H GLU A 35 10.854 12.154 -8.615 1.00 1.43 H new ATOM 0 HA GLU A 35 13.298 12.266 -10.216 1.00 1.69 H new ATOM 0 HB2 GLU A 35 13.390 11.487 -7.883 1.00 1.58 H new ATOM 0 HB3 GLU A 35 12.203 10.244 -8.224 1.00 1.58 H new ATOM 0 HG2 GLU A 35 13.993 8.906 -8.535 1.00 2.20 H new ATOM 0 HG3 GLU A 35 14.081 9.653 -10.117 1.00 2.20 H new ATOM 412 N GLY A 36 10.928 9.991 -10.674 1.00 1.77 N ATOM 413 CA GLY A 36 10.381 9.084 -11.666 1.00 2.19 C ATOM 414 C GLY A 36 10.848 7.655 -11.469 1.00 1.74 C ATOM 415 O GLY A 36 12.010 7.335 -11.721 1.00 1.77 O ATOM 0 H GLY A 36 10.425 10.009 -9.787 1.00 1.77 H new ATOM 0 HA2 GLY A 36 9.292 9.116 -11.621 1.00 2.19 H new ATOM 0 HA3 GLY A 36 10.669 9.423 -12.661 1.00 2.19 H new ATOM 419 N ASN A 37 9.941 6.795 -11.020 1.00 2.06 N ATOM 420 CA ASN A 37 10.263 5.391 -10.791 1.00 2.08 C ATOM 421 C ASN A 37 9.176 4.486 -11.362 1.00 1.73 C ATOM 422 O ASN A 37 7.990 4.677 -11.088 1.00 1.94 O ATOM 423 CB ASN A 37 10.434 5.122 -9.295 1.00 3.12 C ATOM 424 CG ASN A 37 11.864 5.316 -8.831 1.00 3.90 C ATOM 425 OD1 ASN A 37 12.799 4.777 -9.422 1.00 4.50 O ATOM 426 ND2 ASN A 37 12.041 6.091 -7.768 1.00 4.34 N ATOM 0 H ASN A 37 8.975 7.046 -10.807 1.00 2.06 H new ATOM 0 HA ASN A 37 11.201 5.170 -11.301 1.00 2.08 H new ATOM 0 HB2 ASN A 37 9.779 5.787 -8.732 1.00 3.12 H new ATOM 0 HB3 ASN A 37 10.119 4.102 -9.074 1.00 3.12 H new ATOM 0 HD21 ASN A 37 12.981 6.259 -7.411 1.00 4.34 H new ATOM 0 HD22 ASN A 37 11.237 6.518 -7.309 1.00 4.34 H new ATOM 431 N GLU A 38 9.584 3.504 -12.158 1.00 1.77 N ATOM 432 CA GLU A 38 8.641 2.573 -12.767 1.00 1.76 C ATOM 433 C GLU A 38 8.021 1.659 -11.714 1.00 1.90 C ATOM 434 O GLU A 38 8.705 0.819 -11.132 1.00 2.28 O ATOM 435 CB GLU A 38 9.343 1.734 -13.836 1.00 2.18 C ATOM 436 CG GLU A 38 8.491 1.481 -15.069 1.00 2.12 C ATOM 437 CD GLU A 38 9.291 1.551 -16.355 1.00 2.42 C ATOM 438 OE1 GLU A 38 10.305 2.278 -16.383 1.00 2.81 O ATOM 439 OE2 GLU A 38 8.902 0.880 -17.334 1.00 2.88 O ATOM 0 H GLU A 38 10.561 3.332 -12.397 1.00 1.77 H new ATOM 0 HA GLU A 38 7.844 3.153 -13.233 1.00 1.76 H new ATOM 0 HB2 GLU A 38 10.261 2.239 -14.137 1.00 2.18 H new ATOM 0 HB3 GLU A 38 9.633 0.777 -13.402 1.00 2.18 H new ATOM 0 HG2 GLU A 38 8.025 0.499 -14.989 1.00 2.12 H new ATOM 0 HG3 GLU A 38 7.685 2.214 -15.106 1.00 2.12 H new ATOM 446 N VAL A 39 6.722 1.827 -11.480 1.00 1.79 N ATOM 447 CA VAL A 39 6.012 1.012 -10.496 1.00 2.04 C ATOM 448 C VAL A 39 4.501 1.084 -10.701 1.00 1.58 C ATOM 449 O VAL A 39 3.997 1.988 -11.368 1.00 1.86 O ATOM 450 CB VAL A 39 6.337 1.453 -9.054 1.00 2.80 C ATOM 451 CG1 VAL A 39 7.715 0.963 -8.637 1.00 3.56 C ATOM 452 CG2 VAL A 39 6.240 2.965 -8.923 1.00 3.20 C ATOM 0 H VAL A 39 6.141 2.517 -11.956 1.00 1.79 H new ATOM 0 HA VAL A 39 6.350 -0.014 -10.643 1.00 2.04 H new ATOM 0 HB VAL A 39 5.602 1.004 -8.386 1.00 2.80 H new ATOM 0 HG11 VAL A 39 7.923 1.286 -7.617 1.00 3.56 H new ATOM 0 HG12 VAL A 39 7.744 -0.125 -8.686 1.00 3.56 H new ATOM 0 HG13 VAL A 39 8.467 1.377 -9.309 1.00 3.56 H new ATOM 0 HG21 VAL A 39 6.473 3.257 -7.899 1.00 3.20 H new ATOM 0 HG22 VAL A 39 6.949 3.435 -9.604 1.00 3.20 H new ATOM 0 HG23 VAL A 39 5.229 3.288 -9.172 1.00 3.20 H new ATOM 456 N GLU A 40 3.784 0.129 -10.116 1.00 1.19 N ATOM 457 CA GLU A 40 2.329 0.083 -10.225 1.00 0.87 C ATOM 458 C GLU A 40 1.713 -0.495 -8.953 1.00 0.72 C ATOM 459 O GLU A 40 1.730 -1.707 -8.737 1.00 0.71 O ATOM 460 CB GLU A 40 1.906 -0.747 -11.438 1.00 0.85 C ATOM 461 CG GLU A 40 2.720 -2.016 -11.628 1.00 0.98 C ATOM 462 CD GLU A 40 2.148 -2.918 -12.704 1.00 1.62 C ATOM 463 OE1 GLU A 40 1.051 -3.476 -12.490 1.00 2.10 O ATOM 464 OE2 GLU A 40 2.797 -3.068 -13.761 1.00 2.29 O ATOM 0 H GLU A 40 4.188 -0.625 -9.560 1.00 1.19 H new ATOM 0 HA GLU A 40 1.966 1.102 -10.356 1.00 0.87 H new ATOM 0 HB2 GLU A 40 0.854 -1.013 -11.335 1.00 0.85 H new ATOM 0 HB3 GLU A 40 1.993 -0.133 -12.335 1.00 0.85 H new ATOM 0 HG2 GLU A 40 3.745 -1.751 -11.888 1.00 0.98 H new ATOM 0 HG3 GLU A 40 2.761 -2.562 -10.685 1.00 0.98 H new ATOM 471 N MET A 41 1.176 0.385 -8.110 1.00 0.77 N ATOM 472 CA MET A 41 0.564 -0.035 -6.853 1.00 0.73 C ATOM 473 C MET A 41 -0.958 0.068 -6.907 1.00 0.68 C ATOM 474 O MET A 41 -1.510 1.049 -7.405 1.00 0.72 O ATOM 475 CB MET A 41 1.086 0.821 -5.696 1.00 0.88 C ATOM 476 CG MET A 41 2.596 0.781 -5.535 1.00 1.06 C ATOM 477 SD MET A 41 3.229 2.183 -4.592 1.00 1.42 S ATOM 478 CE MET A 41 4.712 1.476 -3.877 1.00 1.11 C ATOM 0 H MET A 41 1.153 1.391 -8.275 1.00 0.77 H new ATOM 0 HA MET A 41 0.834 -1.079 -6.692 1.00 0.73 H new ATOM 0 HB2 MET A 41 0.774 1.854 -5.851 1.00 0.88 H new ATOM 0 HB3 MET A 41 0.622 0.484 -4.769 1.00 0.88 H new ATOM 0 HG2 MET A 41 2.880 -0.146 -5.037 1.00 1.06 H new ATOM 0 HG3 MET A 41 3.063 0.770 -6.520 1.00 1.06 H new ATOM 0 HE1 MET A 41 5.027 2.077 -3.024 1.00 1.11 H new ATOM 0 HE2 MET A 41 4.507 0.457 -3.547 1.00 1.11 H new ATOM 0 HE3 MET A 41 5.506 1.463 -4.624 1.00 1.11 H new ATOM 488 N THR A 42 -1.629 -0.947 -6.369 1.00 0.81 N ATOM 489 CA THR A 42 -3.086 -0.969 -6.331 1.00 0.79 C ATOM 490 C THR A 42 -3.566 -1.173 -4.897 1.00 0.77 C ATOM 491 O THR A 42 -3.802 -2.301 -4.465 1.00 1.11 O ATOM 492 CB THR A 42 -3.630 -2.079 -7.233 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.643 -2.504 -8.157 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.850 -1.661 -8.025 1.00 1.61 C ATOM 0 H THR A 42 -1.185 -1.766 -5.953 1.00 0.81 H new ATOM 0 HA THR A 42 -3.459 -0.013 -6.698 1.00 0.79 H new ATOM 0 HB THR A 42 -3.913 -2.887 -6.558 1.00 0.95 H new ATOM 0 HG1 THR A 42 -1.931 -2.979 -7.680 1.00 0.97 H new ATOM 0 HG21 THR A 42 -5.185 -2.494 -8.644 1.00 1.61 H new ATOM 0 HG22 THR A 42 -5.648 -1.374 -7.340 1.00 1.61 H new ATOM 0 HG23 THR A 42 -4.597 -0.814 -8.663 1.00 1.61 H new ATOM 499 N VAL A 43 -3.684 -0.075 -4.158 1.00 0.65 N ATOM 500 CA VAL A 43 -4.107 -0.130 -2.763 1.00 0.64 C ATOM 501 C VAL A 43 -5.624 -0.215 -2.618 1.00 0.58 C ATOM 502 O VAL A 43 -6.376 0.459 -3.325 1.00 0.71 O ATOM 503 CB VAL A 43 -3.599 1.092 -1.976 1.00 0.75 C ATOM 504 CG1 VAL A 43 -3.848 0.907 -0.487 1.00 1.53 C ATOM 505 CG2 VAL A 43 -2.121 1.332 -2.253 1.00 1.51 C ATOM 0 H VAL A 43 -3.492 0.866 -4.503 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.668 -1.040 -2.352 1.00 0.64 H new ATOM 0 HB VAL A 43 -4.152 1.971 -2.308 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -3.483 1.780 0.054 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -4.917 0.790 -0.309 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -3.323 0.018 -0.138 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -1.781 2.200 -1.688 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -1.547 0.455 -1.952 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -1.975 1.513 -3.318 1.00 1.51 H new ATOM 509 N ARG A 44 -6.061 -1.042 -1.676 1.00 0.55 N ATOM 510 CA ARG A 44 -7.481 -1.219 -1.404 1.00 0.54 C ATOM 511 C ARG A 44 -7.751 -1.071 0.090 1.00 0.57 C ATOM 512 O ARG A 44 -7.454 -1.970 0.877 1.00 0.69 O ATOM 513 CB ARG A 44 -7.949 -2.593 -1.892 1.00 0.61 C ATOM 514 CG ARG A 44 -9.022 -2.525 -2.966 1.00 1.19 C ATOM 515 CD ARG A 44 -9.091 -3.814 -3.768 1.00 1.98 C ATOM 516 NE ARG A 44 -10.273 -3.864 -4.627 1.00 2.48 N ATOM 517 CZ ARG A 44 -11.489 -4.188 -4.196 1.00 3.13 C ATOM 518 NH1 ARG A 44 -11.691 -4.491 -2.919 1.00 3.54 N ATOM 519 NH2 ARG A 44 -12.509 -4.209 -5.044 1.00 3.77 N ATOM 0 H ARG A 44 -5.448 -1.603 -1.085 1.00 0.55 H new ATOM 0 HA ARG A 44 -8.038 -0.451 -1.940 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.092 -3.142 -2.281 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -8.332 -3.160 -1.043 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -9.990 -2.331 -2.503 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -8.816 -1.690 -3.635 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -8.194 -3.908 -4.380 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -9.102 -4.665 -3.086 1.00 1.98 H new ATOM 0 HE ARG A 44 -10.158 -3.637 -5.615 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -10.911 -4.476 -2.262 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -12.626 -4.739 -2.595 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -12.361 -3.977 -6.026 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -13.442 -4.457 -4.714 1.00 3.77 H new ATOM 533 N ILE A 45 -8.308 0.068 0.480 1.00 0.55 N ATOM 534 CA ILE A 45 -8.603 0.313 1.885 1.00 0.61 C ATOM 535 C ILE A 45 -10.036 -0.094 2.217 1.00 0.59 C ATOM 536 O ILE A 45 -10.988 0.629 1.924 1.00 0.60 O ATOM 537 CB ILE A 45 -8.359 1.792 2.266 1.00 0.71 C ATOM 538 CG1 ILE A 45 -8.843 2.082 3.690 1.00 0.59 C ATOM 539 CG2 ILE A 45 -9.029 2.724 1.271 1.00 0.94 C ATOM 540 CD1 ILE A 45 -7.769 2.665 4.582 1.00 0.63 C ATOM 0 H ILE A 45 -8.562 0.829 -0.149 1.00 0.55 H new ATOM 0 HA ILE A 45 -7.922 -0.301 2.475 1.00 0.61 H new ATOM 0 HB ILE A 45 -7.285 1.972 2.233 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -9.684 2.774 3.646 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -9.213 1.159 4.135 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -8.844 3.759 1.560 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -8.622 2.547 0.275 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -10.103 2.537 1.263 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -8.180 2.846 5.575 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -6.937 1.964 4.655 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -7.415 3.605 4.159 1.00 0.63 H new ATOM 544 N VAL A 46 -10.174 -1.271 2.825 1.00 0.63 N ATOM 545 CA VAL A 46 -11.479 -1.803 3.197 1.00 0.63 C ATOM 546 C VAL A 46 -11.456 -2.364 4.618 1.00 0.64 C ATOM 547 O VAL A 46 -10.389 -2.623 5.174 1.00 0.68 O ATOM 548 CB VAL A 46 -11.920 -2.914 2.219 1.00 0.70 C ATOM 549 CG1 VAL A 46 -10.937 -4.075 2.243 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.330 -3.389 2.542 1.00 1.52 C ATOM 0 H VAL A 46 -9.391 -1.876 3.071 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.192 -0.980 3.150 1.00 0.63 H new ATOM 0 HB VAL A 46 -11.926 -2.498 1.212 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.267 -4.846 1.547 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -9.949 -3.721 1.950 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -10.890 -4.491 3.249 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -13.620 -4.171 1.841 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.357 -3.784 3.558 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.024 -2.552 2.459 1.00 1.52 H new ATOM 554 N ASP A 47 -12.639 -2.551 5.202 1.00 0.66 N ATOM 555 CA ASP A 47 -12.753 -3.083 6.557 1.00 0.71 C ATOM 556 C ASP A 47 -11.968 -4.385 6.706 1.00 0.74 C ATOM 557 O ASP A 47 -11.312 -4.835 5.767 1.00 0.81 O ATOM 558 CB ASP A 47 -14.223 -3.317 6.914 1.00 0.75 C ATOM 559 CG ASP A 47 -14.521 -3.020 8.370 1.00 1.35 C ATOM 560 OD1 ASP A 47 -14.096 -3.812 9.237 1.00 1.88 O ATOM 561 OD2 ASP A 47 -15.178 -1.993 8.643 1.00 2.11 O ATOM 0 H ASP A 47 -13.532 -2.341 4.756 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.330 -2.348 7.242 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -14.851 -2.689 6.282 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.486 -4.352 6.696 1.00 0.75 H new ATOM 566 N GLU A 48 -12.037 -4.984 7.891 1.00 0.76 N ATOM 567 CA GLU A 48 -11.328 -6.230 8.161 1.00 0.82 C ATOM 568 C GLU A 48 -12.105 -7.436 7.638 1.00 0.79 C ATOM 569 O GLU A 48 -11.538 -8.314 6.989 1.00 0.83 O ATOM 570 CB GLU A 48 -11.074 -6.384 9.662 1.00 0.92 C ATOM 571 CG GLU A 48 -9.789 -7.128 9.988 1.00 1.39 C ATOM 572 CD GLU A 48 -9.427 -7.048 11.458 1.00 1.59 C ATOM 573 OE1 GLU A 48 -9.504 -5.940 12.029 1.00 2.30 O ATOM 574 OE2 GLU A 48 -9.066 -8.094 12.038 1.00 1.81 O ATOM 0 H GLU A 48 -12.577 -4.627 8.679 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.372 -6.188 7.638 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -11.038 -5.395 10.119 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -11.914 -6.913 10.112 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -9.896 -8.174 9.700 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -8.974 -6.716 9.394 1.00 1.39 H new ATOM 581 N ALA A 49 -13.403 -7.477 7.927 1.00 0.86 N ATOM 582 CA ALA A 49 -14.248 -8.581 7.483 1.00 0.89 C ATOM 583 C ALA A 49 -14.201 -8.736 5.969 1.00 0.83 C ATOM 584 O ALA A 49 -13.833 -9.792 5.449 1.00 0.80 O ATOM 585 CB ALA A 49 -15.680 -8.369 7.950 1.00 0.99 C ATOM 0 H ALA A 49 -13.891 -6.761 8.465 1.00 0.86 H new ATOM 0 HA ALA A 49 -13.864 -9.500 7.926 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -16.300 -9.200 7.612 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -15.704 -8.318 9.039 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.064 -7.437 7.534 1.00 0.99 H new ATOM 591 N GLU A 50 -14.567 -7.671 5.267 1.00 0.87 N ATOM 592 CA GLU A 50 -14.562 -7.675 3.810 1.00 0.88 C ATOM 593 C GLU A 50 -13.167 -7.985 3.283 1.00 0.84 C ATOM 594 O GLU A 50 -12.996 -8.816 2.393 1.00 0.85 O ATOM 595 CB GLU A 50 -15.038 -6.326 3.271 1.00 0.98 C ATOM 596 CG GLU A 50 -16.542 -6.130 3.365 1.00 1.52 C ATOM 597 CD GLU A 50 -17.248 -6.405 2.052 1.00 1.54 C ATOM 598 OE1 GLU A 50 -17.564 -7.583 1.782 1.00 2.17 O ATOM 599 OE2 GLU A 50 -17.486 -5.441 1.293 1.00 1.85 O ATOM 0 H GLU A 50 -14.872 -6.792 5.684 1.00 0.87 H new ATOM 0 HA GLU A 50 -15.246 -8.451 3.467 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -14.541 -5.528 3.822 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -14.732 -6.232 2.229 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -16.943 -6.790 4.134 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -16.753 -5.108 3.680 1.00 1.52 H new ATOM 606 N SER A 51 -12.171 -7.315 3.851 1.00 0.87 N ATOM 607 CA SER A 51 -10.785 -7.520 3.453 1.00 0.92 C ATOM 608 C SER A 51 -10.387 -8.980 3.644 1.00 0.84 C ATOM 609 O SER A 51 -9.899 -9.633 2.718 1.00 0.83 O ATOM 610 CB SER A 51 -9.862 -6.616 4.274 1.00 1.04 C ATOM 611 OG SER A 51 -8.510 -7.022 4.160 1.00 1.90 O ATOM 0 H SER A 51 -12.299 -6.624 4.590 1.00 0.87 H new ATOM 0 HA SER A 51 -10.686 -7.265 2.398 1.00 0.92 H new ATOM 0 HB2 SER A 51 -9.964 -5.585 3.936 1.00 1.04 H new ATOM 0 HB3 SER A 51 -10.164 -6.639 5.321 1.00 1.04 H new ATOM 0 HG SER A 51 -7.943 -6.426 4.693 1.00 1.90 H new ATOM 617 N HIS A 52 -10.606 -9.484 4.854 1.00 0.86 N ATOM 618 CA HIS A 52 -10.280 -10.867 5.181 1.00 0.86 C ATOM 619 C HIS A 52 -10.973 -11.827 4.222 1.00 0.83 C ATOM 620 O HIS A 52 -10.334 -12.705 3.642 1.00 0.90 O ATOM 621 CB HIS A 52 -10.678 -11.173 6.623 1.00 0.94 C ATOM 622 CG HIS A 52 -9.732 -10.595 7.630 1.00 0.99 C ATOM 623 ND1 HIS A 52 -8.798 -9.628 7.318 1.00 1.39 N ATOM 624 CD2 HIS A 52 -9.576 -10.853 8.950 1.00 1.61 C ATOM 625 CE1 HIS A 52 -8.109 -9.318 8.402 1.00 1.28 C ATOM 626 NE2 HIS A 52 -8.563 -10.046 9.405 1.00 1.39 N ATOM 0 H HIS A 52 -11.009 -8.953 5.626 1.00 0.86 H new ATOM 0 HA HIS A 52 -9.203 -11.002 5.077 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -11.679 -10.783 6.808 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -10.727 -12.253 6.758 1.00 0.94 H new ATOM 0 HD2 HIS A 52 -10.143 -11.562 9.536 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -7.311 -8.593 8.458 1.00 1.28 H new ATOM 0 HE2 HIS A 52 -8.217 -10.014 10.364 1.00 1.39 H new ATOM 635 N GLU A 53 -12.278 -11.650 4.048 1.00 0.86 N ATOM 636 CA GLU A 53 -13.040 -12.500 3.143 1.00 0.95 C ATOM 637 C GLU A 53 -12.556 -12.312 1.708 1.00 0.94 C ATOM 638 O GLU A 53 -12.464 -13.271 0.938 1.00 0.95 O ATOM 639 CB GLU A 53 -14.535 -12.181 3.244 1.00 1.10 C ATOM 640 CG GLU A 53 -15.355 -13.300 3.864 1.00 1.68 C ATOM 641 CD GLU A 53 -16.597 -13.629 3.057 1.00 2.38 C ATOM 642 OE1 GLU A 53 -16.452 -14.074 1.899 1.00 3.10 O ATOM 643 OE2 GLU A 53 -17.714 -13.443 3.584 1.00 2.71 O ATOM 0 H GLU A 53 -12.827 -10.930 4.519 1.00 0.86 H new ATOM 0 HA GLU A 53 -12.886 -13.540 3.431 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -14.666 -11.275 3.836 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -14.921 -11.969 2.247 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -14.736 -14.193 3.952 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -15.648 -13.014 4.874 1.00 1.68 H new ATOM 650 N LEU A 54 -12.246 -11.068 1.360 1.00 0.95 N ATOM 651 CA LEU A 54 -11.768 -10.739 0.023 1.00 1.00 C ATOM 652 C LEU A 54 -10.453 -11.449 -0.281 1.00 0.89 C ATOM 653 O LEU A 54 -10.223 -11.898 -1.403 1.00 0.93 O ATOM 654 CB LEU A 54 -11.588 -9.225 -0.119 1.00 1.06 C ATOM 655 CG LEU A 54 -12.846 -8.451 -0.520 1.00 1.15 C ATOM 656 CD1 LEU A 54 -12.516 -6.986 -0.760 1.00 1.23 C ATOM 657 CD2 LEU A 54 -13.484 -9.067 -1.758 1.00 1.24 C ATOM 0 H LEU A 54 -12.318 -10.268 1.989 1.00 0.95 H new ATOM 0 HA LEU A 54 -12.515 -11.080 -0.694 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -11.224 -8.829 0.829 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -10.813 -9.036 -0.862 1.00 1.06 H new ATOM 0 HG LEU A 54 -13.563 -8.512 0.299 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -13.422 -6.451 -1.044 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -12.108 -6.551 0.152 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -11.781 -6.905 -1.560 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -14.377 -8.502 -2.027 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -12.775 -9.039 -2.585 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -13.758 -10.101 -1.550 1.00 1.24 H new ATOM 663 N ASN A 55 -9.590 -11.548 0.725 1.00 0.78 N ATOM 664 CA ASN A 55 -8.296 -12.204 0.562 1.00 0.71 C ATOM 665 C ASN A 55 -8.462 -13.637 0.075 1.00 0.69 C ATOM 666 O ASN A 55 -7.977 -14.010 -0.995 1.00 0.74 O ATOM 667 CB ASN A 55 -7.543 -12.209 1.891 1.00 0.68 C ATOM 668 CG ASN A 55 -6.100 -12.657 1.752 1.00 1.33 C ATOM 669 OD1 ASN A 55 -5.633 -12.968 0.656 1.00 2.28 O ATOM 670 ND2 ASN A 55 -5.390 -12.703 2.875 1.00 1.42 N ATOM 0 H ASN A 55 -9.763 -11.183 1.662 1.00 0.78 H new ATOM 0 HA ASN A 55 -7.730 -11.646 -0.184 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -7.567 -11.207 2.320 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -8.057 -12.868 2.591 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -4.416 -13.005 2.851 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -5.819 -12.436 3.761 1.00 1.42 H new ATOM 675 N LEU A 56 -9.138 -14.441 0.880 1.00 0.71 N ATOM 676 CA LEU A 56 -9.353 -15.837 0.547 1.00 0.79 C ATOM 677 C LEU A 56 -10.268 -15.994 -0.658 1.00 0.87 C ATOM 678 O LEU A 56 -9.996 -16.800 -1.549 1.00 0.97 O ATOM 679 CB LEU A 56 -9.913 -16.582 1.755 1.00 0.84 C ATOM 680 CG LEU A 56 -9.176 -16.294 3.063 1.00 0.89 C ATOM 681 CD1 LEU A 56 -10.009 -15.395 3.963 1.00 0.91 C ATOM 682 CD2 LEU A 56 -8.824 -17.590 3.778 1.00 0.92 C ATOM 0 H LEU A 56 -9.547 -14.149 1.768 1.00 0.71 H new ATOM 0 HA LEU A 56 -8.390 -16.272 0.278 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -10.963 -16.317 1.877 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -9.875 -17.653 1.557 1.00 0.84 H new ATOM 0 HG LEU A 56 -8.249 -15.773 2.824 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -9.466 -15.203 4.888 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -10.204 -14.451 3.454 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -10.955 -15.886 4.193 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -8.300 -17.363 4.706 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -9.737 -18.141 4.002 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -8.182 -18.196 3.138 1.00 0.92 H new ATOM 688 N THR A 57 -11.344 -15.217 -0.700 1.00 0.93 N ATOM 689 CA THR A 57 -12.267 -15.286 -1.826 1.00 1.09 C ATOM 690 C THR A 57 -11.548 -14.914 -3.122 1.00 1.14 C ATOM 691 O THR A 57 -12.015 -15.229 -4.217 1.00 1.27 O ATOM 692 CB THR A 57 -13.480 -14.375 -1.594 1.00 1.23 C ATOM 693 OG1 THR A 57 -14.611 -14.865 -2.293 1.00 1.51 O ATOM 694 CG2 THR A 57 -13.265 -12.941 -2.029 1.00 1.45 C ATOM 0 H THR A 57 -11.597 -14.541 0.021 1.00 0.93 H new ATOM 0 HA THR A 57 -12.630 -16.310 -1.913 1.00 1.09 H new ATOM 0 HB THR A 57 -13.635 -14.384 -0.515 1.00 1.23 H new ATOM 0 HG1 THR A 57 -15.376 -14.274 -2.133 1.00 1.51 H new ATOM 0 HG21 THR A 57 -14.167 -12.362 -1.832 1.00 1.45 H new ATOM 0 HG22 THR A 57 -12.431 -12.513 -1.473 1.00 1.45 H new ATOM 0 HG23 THR A 57 -13.042 -12.914 -3.096 1.00 1.45 H new ATOM 699 N TYR A 58 -10.403 -14.243 -2.988 1.00 1.08 N ATOM 700 CA TYR A 58 -9.613 -13.831 -4.142 1.00 1.17 C ATOM 701 C TYR A 58 -8.564 -14.882 -4.493 1.00 1.08 C ATOM 702 O TYR A 58 -8.411 -15.247 -5.658 1.00 1.19 O ATOM 703 CB TYR A 58 -8.917 -12.495 -3.869 1.00 1.25 C ATOM 704 CG TYR A 58 -9.774 -11.274 -4.130 1.00 1.20 C ATOM 705 CD1 TYR A 58 -10.730 -11.260 -5.140 1.00 1.25 C ATOM 706 CD2 TYR A 58 -9.619 -10.128 -3.360 1.00 1.67 C ATOM 707 CE1 TYR A 58 -11.504 -10.139 -5.374 1.00 1.55 C ATOM 708 CE2 TYR A 58 -10.390 -9.004 -3.587 1.00 2.23 C ATOM 709 CZ TYR A 58 -11.331 -9.015 -4.595 1.00 2.11 C ATOM 710 OH TYR A 58 -12.101 -7.898 -4.824 1.00 2.74 O ATOM 0 H TYR A 58 -10.004 -13.974 -2.089 1.00 1.08 H new ATOM 0 HA TYR A 58 -10.296 -13.719 -4.984 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -8.588 -12.477 -2.830 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -8.022 -12.433 -4.488 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -10.870 -12.139 -5.751 1.00 1.25 H new ATOM 0 HD2 TYR A 58 -8.883 -10.115 -2.570 1.00 1.67 H new ATOM 0 HE1 TYR A 58 -12.241 -10.144 -6.164 1.00 1.55 H new ATOM 0 HE2 TYR A 58 -10.256 -8.122 -2.978 1.00 2.23 H new ATOM 0 HH TYR A 58 -11.855 -7.195 -4.188 1.00 2.74 H new ATOM 720 N ARG A 59 -7.827 -15.355 -3.488 1.00 0.99 N ATOM 721 CA ARG A 59 -6.782 -16.350 -3.730 1.00 0.99 C ATOM 722 C ARG A 59 -6.780 -17.467 -2.689 1.00 0.90 C ATOM 723 O ARG A 59 -6.461 -18.613 -3.004 1.00 0.97 O ATOM 724 CB ARG A 59 -5.418 -15.669 -3.736 1.00 1.05 C ATOM 725 CG ARG A 59 -5.131 -14.878 -2.473 1.00 1.58 C ATOM 726 CD ARG A 59 -5.677 -13.462 -2.564 1.00 1.65 C ATOM 727 NE ARG A 59 -5.210 -12.775 -3.766 1.00 2.22 N ATOM 728 CZ ARG A 59 -3.947 -12.419 -3.975 1.00 2.71 C ATOM 729 NH1 ARG A 59 -3.024 -12.648 -3.049 1.00 3.08 N ATOM 730 NH2 ARG A 59 -3.604 -11.823 -5.109 1.00 3.32 N ATOM 0 H ARG A 59 -7.931 -15.071 -2.514 1.00 0.99 H new ATOM 0 HA ARG A 59 -6.991 -16.804 -4.699 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -4.644 -16.425 -3.865 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -5.358 -15.001 -4.595 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -5.575 -15.385 -1.616 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -4.055 -14.844 -2.301 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -6.767 -13.492 -2.563 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -5.373 -12.898 -1.682 1.00 1.65 H new ATOM 0 HE ARG A 59 -5.895 -12.555 -4.489 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -3.283 -13.099 -2.172 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -2.056 -12.373 -3.215 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -4.310 -11.638 -5.821 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -2.634 -11.550 -5.269 1.00 3.32 H new ATOM 744 N GLY A 60 -7.133 -17.136 -1.453 1.00 0.81 N ATOM 745 CA GLY A 60 -7.154 -18.140 -0.404 1.00 0.80 C ATOM 746 C GLY A 60 -5.921 -18.104 0.483 1.00 0.78 C ATOM 747 O GLY A 60 -5.466 -19.147 0.950 1.00 0.88 O ATOM 0 H GLY A 60 -7.403 -16.198 -1.159 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -8.041 -17.994 0.212 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -7.239 -19.128 -0.857 1.00 0.80 H new ATOM 751 N LYS A 61 -5.376 -16.910 0.727 1.00 0.76 N ATOM 752 CA LYS A 61 -4.193 -16.791 1.576 1.00 0.90 C ATOM 753 C LYS A 61 -4.318 -15.635 2.565 1.00 0.95 C ATOM 754 O LYS A 61 -3.909 -14.512 2.276 1.00 1.42 O ATOM 755 CB LYS A 61 -2.948 -16.577 0.710 1.00 1.17 C ATOM 756 CG LYS A 61 -2.994 -15.298 -0.118 1.00 1.31 C ATOM 757 CD LYS A 61 -1.977 -14.272 0.365 1.00 1.00 C ATOM 758 CE LYS A 61 -0.702 -14.318 -0.463 1.00 1.42 C ATOM 759 NZ LYS A 61 0.088 -15.553 -0.202 1.00 2.13 N ATOM 0 H LYS A 61 -5.728 -16.028 0.356 1.00 0.76 H new ATOM 0 HA LYS A 61 -4.104 -17.718 2.143 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -2.068 -16.552 1.353 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -2.830 -17.429 0.041 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -2.801 -15.536 -1.164 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -3.995 -14.869 -0.068 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -2.412 -13.274 0.310 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -1.739 -14.459 1.412 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -0.955 -14.267 -1.522 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -0.092 -13.443 -0.238 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 0.948 -15.545 -0.786 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 0.352 -15.590 0.803 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -0.484 -16.388 -0.441 1.00 2.13 H new ATOM 773 N ASP A 62 -4.850 -15.929 3.747 1.00 1.17 N ATOM 774 CA ASP A 62 -4.998 -14.931 4.798 1.00 1.25 C ATOM 775 C ASP A 62 -4.209 -15.323 6.040 1.00 1.66 C ATOM 776 O ASP A 62 -3.701 -16.440 6.141 1.00 2.50 O ATOM 777 CB ASP A 62 -6.471 -14.731 5.148 1.00 1.84 C ATOM 778 CG ASP A 62 -7.108 -15.982 5.721 1.00 2.50 C ATOM 779 OD1 ASP A 62 -6.551 -17.081 5.509 1.00 2.95 O ATOM 780 OD2 ASP A 62 -8.161 -15.865 6.381 1.00 3.06 O ATOM 0 H ASP A 62 -5.188 -16.857 4.001 1.00 1.17 H new ATOM 0 HA ASP A 62 -4.598 -13.989 4.423 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -6.563 -13.918 5.868 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -7.015 -14.427 4.254 1.00 1.84 H new ATOM 785 N ARG A 63 -4.120 -14.397 6.985 1.00 1.71 N ATOM 786 CA ARG A 63 -3.405 -14.636 8.232 1.00 2.49 C ATOM 787 C ARG A 63 -3.651 -13.487 9.204 1.00 2.22 C ATOM 788 O ARG A 63 -4.197 -12.455 8.817 1.00 1.77 O ATOM 789 CB ARG A 63 -1.905 -14.790 7.962 1.00 3.33 C ATOM 790 CG ARG A 63 -1.398 -16.214 8.130 1.00 4.23 C ATOM 791 CD ARG A 63 0.121 -16.265 8.176 1.00 4.88 C ATOM 792 NE ARG A 63 0.658 -15.567 9.343 1.00 5.84 N ATOM 793 CZ ARG A 63 1.878 -15.771 9.833 1.00 6.66 C ATOM 794 NH1 ARG A 63 2.696 -16.645 9.257 1.00 6.76 N ATOM 795 NH2 ARG A 63 2.285 -15.097 10.899 1.00 7.66 N ATOM 0 H ARG A 63 -4.536 -13.469 6.911 1.00 1.71 H new ATOM 0 HA ARG A 63 -3.775 -15.559 8.678 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -1.691 -14.455 6.947 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -1.354 -14.135 8.637 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -1.805 -16.640 9.047 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -1.759 -16.829 7.305 1.00 4.23 H new ATOM 0 HD2 ARG A 63 0.448 -17.305 8.193 1.00 4.88 H new ATOM 0 HD3 ARG A 63 0.526 -15.818 7.268 1.00 4.88 H new ATOM 0 HE ARG A 63 0.062 -14.883 9.809 1.00 5.84 H new ATOM 0 HH11 ARG A 63 2.390 -17.164 8.434 1.00 6.76 H new ATOM 0 HH12 ARG A 63 3.630 -16.797 9.638 1.00 6.76 H new ATOM 0 HH21 ARG A 63 1.663 -14.422 11.344 1.00 7.66 H new ATOM 0 HH22 ARG A 63 3.220 -15.253 11.275 1.00 7.66 H new ATOM 809 N PRO A 64 -3.243 -13.638 10.477 1.00 3.04 N ATOM 810 CA PRO A 64 -3.419 -12.586 11.481 1.00 3.30 C ATOM 811 C PRO A 64 -2.595 -11.352 11.130 1.00 2.79 C ATOM 812 O PRO A 64 -1.628 -11.018 11.813 1.00 3.00 O ATOM 813 CB PRO A 64 -2.909 -13.228 12.776 1.00 4.45 C ATOM 814 CG PRO A 64 -2.007 -14.327 12.331 1.00 4.81 C ATOM 815 CD PRO A 64 -2.573 -14.827 11.032 1.00 4.12 C ATOM 0 HA PRO A 64 -4.452 -12.245 11.555 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -2.375 -12.504 13.392 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -3.733 -13.612 13.377 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -0.987 -13.965 12.199 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -1.969 -15.125 13.073 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -1.791 -15.196 10.368 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -3.273 -15.648 11.187 1.00 4.12 H new ATOM 823 N THR A 65 -2.979 -10.694 10.041 1.00 2.27 N ATOM 824 CA THR A 65 -2.276 -9.513 9.568 1.00 2.01 C ATOM 825 C THR A 65 -3.099 -8.250 9.803 1.00 1.59 C ATOM 826 O THR A 65 -4.329 -8.283 9.764 1.00 1.81 O ATOM 827 CB THR A 65 -1.959 -9.664 8.070 1.00 2.13 C ATOM 828 OG1 THR A 65 -0.761 -8.986 7.739 1.00 2.47 O ATOM 829 CG2 THR A 65 -3.050 -9.135 7.162 1.00 2.82 C ATOM 0 H THR A 65 -3.779 -10.963 9.468 1.00 2.27 H new ATOM 0 HA THR A 65 -1.347 -9.419 10.130 1.00 2.01 H new ATOM 0 HB THR A 65 -1.866 -10.738 7.907 1.00 2.13 H new ATOM 0 HG1 THR A 65 -0.931 -8.361 7.003 1.00 2.47 H new ATOM 0 HG21 THR A 65 -2.757 -9.275 6.121 1.00 2.82 H new ATOM 0 HG22 THR A 65 -3.977 -9.675 7.354 1.00 2.82 H new ATOM 0 HG23 THR A 65 -3.202 -8.073 7.356 1.00 2.82 H new ATOM 834 N ASN A 66 -2.413 -7.134 10.019 1.00 1.36 N ATOM 835 CA ASN A 66 -3.085 -5.858 10.225 1.00 1.09 C ATOM 836 C ASN A 66 -3.718 -5.394 8.916 1.00 0.83 C ATOM 837 O ASN A 66 -4.711 -4.666 8.911 1.00 1.09 O ATOM 838 CB ASN A 66 -2.094 -4.809 10.733 1.00 1.37 C ATOM 839 CG ASN A 66 -2.741 -3.457 10.953 1.00 1.54 C ATOM 840 OD1 ASN A 66 -3.526 -3.275 11.884 1.00 2.36 O ATOM 841 ND2 ASN A 66 -2.416 -2.497 10.094 1.00 1.35 N ATOM 0 H ASN A 66 -1.395 -7.087 10.056 1.00 1.36 H new ATOM 0 HA ASN A 66 -3.866 -5.986 10.975 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -1.653 -5.154 11.668 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -1.280 -4.706 10.016 1.00 1.37 H new ATOM 0 HD21 ASN A 66 -2.821 -1.566 10.192 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -1.761 -2.691 9.336 1.00 1.35 H new ATOM 846 N VAL A 67 -3.131 -5.836 7.805 1.00 0.71 N ATOM 847 CA VAL A 67 -3.617 -5.492 6.478 1.00 0.79 C ATOM 848 C VAL A 67 -3.253 -6.587 5.476 1.00 0.79 C ATOM 849 O VAL A 67 -2.131 -7.092 5.484 1.00 0.81 O ATOM 850 CB VAL A 67 -3.022 -4.154 5.998 1.00 1.12 C ATOM 851 CG1 VAL A 67 -3.507 -3.011 6.875 1.00 1.59 C ATOM 852 CG2 VAL A 67 -1.502 -4.219 5.988 1.00 1.51 C ATOM 0 H VAL A 67 -2.309 -6.440 7.803 1.00 0.71 H new ATOM 0 HA VAL A 67 -4.701 -5.396 6.540 1.00 0.79 H new ATOM 0 HB VAL A 67 -3.362 -3.970 4.979 1.00 1.12 H new ATOM 0 HG11 VAL A 67 -3.077 -2.074 6.522 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -4.594 -2.952 6.828 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -3.198 -3.186 7.905 1.00 1.59 H new ATOM 0 HG21 VAL A 67 -1.099 -3.265 5.646 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -1.140 -4.426 6.995 1.00 1.51 H new ATOM 0 HG23 VAL A 67 -1.176 -5.012 5.315 1.00 1.51 H new ATOM 856 N LEU A 68 -4.201 -6.952 4.616 1.00 0.86 N ATOM 857 CA LEU A 68 -3.954 -7.991 3.618 1.00 0.89 C ATOM 858 C LEU A 68 -3.189 -7.407 2.438 1.00 0.81 C ATOM 859 O LEU A 68 -3.311 -6.219 2.139 1.00 0.75 O ATOM 860 CB LEU A 68 -5.274 -8.596 3.120 1.00 0.99 C ATOM 861 CG LEU A 68 -5.892 -9.705 3.984 1.00 1.22 C ATOM 862 CD1 LEU A 68 -5.354 -9.687 5.401 1.00 2.06 C ATOM 863 CD2 LEU A 68 -7.403 -9.577 3.994 1.00 1.10 C ATOM 0 H LEU A 68 -5.138 -6.549 4.589 1.00 0.86 H new ATOM 0 HA LEU A 68 -3.362 -8.778 4.086 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -6.003 -7.791 3.026 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.109 -8.996 2.119 1.00 0.99 H new ATOM 0 HG LEU A 68 -5.613 -10.661 3.541 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -5.818 -10.488 5.977 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -4.274 -9.833 5.382 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -5.583 -8.727 5.865 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -7.831 -10.368 4.609 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -7.683 -8.607 4.404 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -7.782 -9.664 2.976 1.00 1.10 H new ATOM 869 N SER A 69 -2.397 -8.238 1.774 1.00 0.96 N ATOM 870 CA SER A 69 -1.616 -7.780 0.633 1.00 0.97 C ATOM 871 C SER A 69 -1.637 -8.791 -0.505 1.00 0.86 C ATOM 872 O SER A 69 -1.328 -9.967 -0.317 1.00 0.89 O ATOM 873 CB SER A 69 -0.175 -7.494 1.056 1.00 1.18 C ATOM 874 OG SER A 69 0.658 -7.292 -0.071 1.00 1.85 O ATOM 0 H SER A 69 -2.279 -9.225 2.003 1.00 0.96 H new ATOM 0 HA SER A 69 -2.073 -6.859 0.270 1.00 0.97 H new ATOM 0 HB2 SER A 69 -0.149 -6.611 1.694 1.00 1.18 H new ATOM 0 HB3 SER A 69 0.205 -8.326 1.648 1.00 1.18 H new ATOM 0 HG SER A 69 1.403 -6.704 0.174 1.00 1.85 H new ATOM 880 N PHE A 70 -1.995 -8.312 -1.690 1.00 0.81 N ATOM 881 CA PHE A 70 -2.051 -9.156 -2.874 1.00 0.82 C ATOM 882 C PHE A 70 -0.861 -8.871 -3.783 1.00 0.91 C ATOM 883 O PHE A 70 -0.897 -7.945 -4.597 1.00 1.03 O ATOM 884 CB PHE A 70 -3.362 -8.924 -3.630 1.00 0.89 C ATOM 885 CG PHE A 70 -4.589 -9.151 -2.790 1.00 0.96 C ATOM 886 CD1 PHE A 70 -4.574 -10.061 -1.744 1.00 1.81 C ATOM 887 CD2 PHE A 70 -5.759 -8.454 -3.048 1.00 1.16 C ATOM 888 CE1 PHE A 70 -5.700 -10.269 -0.972 1.00 2.03 C ATOM 889 CE2 PHE A 70 -6.888 -8.660 -2.280 1.00 1.33 C ATOM 890 CZ PHE A 70 -6.858 -9.570 -1.239 1.00 1.48 C ATOM 0 H PHE A 70 -2.252 -7.339 -1.855 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.009 -10.199 -2.560 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -3.376 -7.903 -4.011 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -3.396 -9.587 -4.494 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -3.671 -10.614 -1.530 1.00 1.81 H new ATOM 0 HD2 PHE A 70 -5.788 -7.742 -3.859 1.00 1.16 H new ATOM 0 HE1 PHE A 70 -5.673 -10.979 -0.159 1.00 2.03 H new ATOM 0 HE2 PHE A 70 -7.794 -8.111 -2.492 1.00 1.33 H new ATOM 0 HZ PHE A 70 -7.740 -9.733 -0.637 1.00 1.48 H new ATOM 900 N PRO A 71 0.218 -9.662 -3.652 1.00 0.95 N ATOM 901 CA PRO A 71 1.425 -9.489 -4.457 1.00 1.11 C ATOM 902 C PRO A 71 1.262 -10.028 -5.869 1.00 1.11 C ATOM 903 O PRO A 71 0.421 -10.890 -6.124 1.00 1.14 O ATOM 904 CB PRO A 71 2.459 -10.319 -3.702 1.00 1.18 C ATOM 905 CG PRO A 71 1.659 -11.422 -3.114 1.00 1.13 C ATOM 906 CD PRO A 71 0.355 -10.789 -2.705 1.00 0.95 C ATOM 0 HA PRO A 71 1.689 -8.438 -4.578 1.00 1.11 H new ATOM 0 HB2 PRO A 71 3.234 -10.697 -4.369 1.00 1.18 H new ATOM 0 HB3 PRO A 71 2.960 -9.732 -2.932 1.00 1.18 H new ATOM 0 HG2 PRO A 71 1.499 -12.221 -3.837 1.00 1.13 H new ATOM 0 HG3 PRO A 71 2.168 -11.864 -2.258 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -0.476 -11.489 -2.788 1.00 0.95 H new ATOM 0 HD3 PRO A 71 0.380 -10.446 -1.671 1.00 0.95 H new ATOM 914 N PHE A 72 2.086 -9.531 -6.776 1.00 1.22 N ATOM 915 CA PHE A 72 2.053 -9.974 -8.158 1.00 1.28 C ATOM 916 C PHE A 72 2.524 -11.422 -8.246 1.00 1.36 C ATOM 917 O PHE A 72 3.644 -11.738 -7.844 1.00 1.47 O ATOM 918 CB PHE A 72 2.946 -9.064 -9.009 1.00 1.36 C ATOM 919 CG PHE A 72 3.127 -9.515 -10.432 1.00 1.05 C ATOM 920 CD1 PHE A 72 3.836 -10.667 -10.728 1.00 1.38 C ATOM 921 CD2 PHE A 72 2.602 -8.771 -11.476 1.00 1.65 C ATOM 922 CE1 PHE A 72 4.018 -11.071 -12.037 1.00 1.46 C ATOM 923 CE2 PHE A 72 2.778 -9.170 -12.786 1.00 1.83 C ATOM 924 CZ PHE A 72 3.487 -10.321 -13.068 1.00 1.39 C ATOM 0 H PHE A 72 2.788 -8.818 -6.578 1.00 1.22 H new ATOM 0 HA PHE A 72 1.032 -9.918 -8.537 1.00 1.28 H new ATOM 0 HB2 PHE A 72 2.521 -8.060 -9.011 1.00 1.36 H new ATOM 0 HB3 PHE A 72 3.926 -8.994 -8.537 1.00 1.36 H new ATOM 0 HD1 PHE A 72 4.252 -11.258 -9.925 1.00 1.38 H new ATOM 0 HD2 PHE A 72 2.049 -7.868 -11.263 1.00 1.65 H new ATOM 0 HE1 PHE A 72 4.574 -11.971 -12.253 1.00 1.46 H new ATOM 0 HE2 PHE A 72 2.361 -8.582 -13.590 1.00 1.83 H new ATOM 0 HZ PHE A 72 3.626 -10.634 -14.092 1.00 1.39 H new ATOM 934 N GLU A 73 1.670 -12.300 -8.767 1.00 1.56 N ATOM 935 CA GLU A 73 2.016 -13.714 -8.900 1.00 1.67 C ATOM 936 C GLU A 73 3.395 -13.869 -9.534 1.00 1.31 C ATOM 937 O GLU A 73 3.535 -13.828 -10.756 1.00 1.43 O ATOM 938 CB GLU A 73 0.968 -14.443 -9.743 1.00 2.21 C ATOM 939 CG GLU A 73 0.725 -15.877 -9.305 1.00 2.25 C ATOM 940 CD GLU A 73 -0.601 -16.421 -9.798 1.00 2.36 C ATOM 941 OE1 GLU A 73 -0.914 -16.231 -10.993 1.00 2.89 O ATOM 942 OE2 GLU A 73 -1.329 -17.037 -8.990 1.00 2.62 O ATOM 0 H GLU A 73 0.737 -12.059 -9.103 1.00 1.56 H new ATOM 0 HA GLU A 73 2.036 -14.157 -7.904 1.00 1.67 H new ATOM 0 HB2 GLU A 73 0.028 -13.893 -9.694 1.00 2.21 H new ATOM 0 HB3 GLU A 73 1.286 -14.439 -10.786 1.00 2.21 H new ATOM 0 HG2 GLU A 73 1.533 -16.508 -9.676 1.00 2.25 H new ATOM 0 HG3 GLU A 73 0.753 -15.930 -8.217 1.00 2.25 H new ATOM 949 N CYS A 74 4.416 -14.026 -8.695 1.00 1.48 N ATOM 950 CA CYS A 74 5.782 -14.160 -9.183 1.00 1.68 C ATOM 951 C CYS A 74 6.481 -15.387 -8.600 1.00 1.76 C ATOM 952 O CYS A 74 7.388 -15.267 -7.778 1.00 2.31 O ATOM 953 CB CYS A 74 6.581 -12.901 -8.851 1.00 2.63 C ATOM 954 SG CYS A 74 6.829 -11.791 -10.256 1.00 3.95 S ATOM 0 H CYS A 74 4.322 -14.063 -7.680 1.00 1.48 H new ATOM 0 HA CYS A 74 5.732 -14.291 -10.264 1.00 1.68 H new ATOM 0 HB2 CYS A 74 6.068 -12.357 -8.058 1.00 2.63 H new ATOM 0 HB3 CYS A 74 7.554 -13.195 -8.458 1.00 2.63 H new ATOM 0 HG CYS A 74 5.675 -11.440 -10.741 1.00 3.95 H new ATOM 960 N PRO A 75 6.092 -16.587 -9.051 1.00 1.68 N ATOM 961 CA PRO A 75 6.714 -17.833 -8.603 1.00 2.01 C ATOM 962 C PRO A 75 8.159 -17.903 -9.089 1.00 2.43 C ATOM 963 O PRO A 75 9.016 -18.540 -8.478 1.00 3.08 O ATOM 964 CB PRO A 75 5.863 -18.921 -9.264 1.00 2.13 C ATOM 965 CG PRO A 75 5.247 -18.255 -10.449 1.00 2.21 C ATOM 966 CD PRO A 75 5.050 -16.813 -10.064 1.00 1.89 C ATOM 0 HA PRO A 75 6.749 -17.931 -7.518 1.00 2.01 H new ATOM 0 HB2 PRO A 75 6.473 -19.774 -9.562 1.00 2.13 H new ATOM 0 HB3 PRO A 75 5.101 -19.297 -8.581 1.00 2.13 H new ATOM 0 HG2 PRO A 75 5.893 -18.340 -11.323 1.00 2.21 H new ATOM 0 HG3 PRO A 75 4.297 -18.722 -10.708 1.00 2.21 H new ATOM 0 HD2 PRO A 75 5.170 -16.148 -10.920 1.00 1.89 H new ATOM 0 HD3 PRO A 75 4.053 -16.637 -9.661 1.00 1.89 H new ATOM 974 N ASP A 76 8.402 -17.206 -10.193 1.00 2.55 N ATOM 975 CA ASP A 76 9.715 -17.117 -10.812 1.00 3.28 C ATOM 976 C ASP A 76 10.215 -15.683 -10.705 1.00 3.54 C ATOM 977 O ASP A 76 10.744 -15.129 -11.670 1.00 4.33 O ATOM 978 CB ASP A 76 9.657 -17.542 -12.279 1.00 3.70 C ATOM 979 CG ASP A 76 9.039 -18.915 -12.460 1.00 4.37 C ATOM 980 OD1 ASP A 76 7.815 -19.048 -12.252 1.00 4.70 O ATOM 981 OD2 ASP A 76 9.780 -19.857 -12.811 1.00 4.93 O ATOM 0 H ASP A 76 7.682 -16.681 -10.688 1.00 2.55 H new ATOM 0 HA ASP A 76 10.399 -17.790 -10.294 1.00 3.28 H new ATOM 0 HB2 ASP A 76 9.080 -16.810 -12.844 1.00 3.70 H new ATOM 0 HB3 ASP A 76 10.665 -17.543 -12.694 1.00 3.70 H new ATOM 986 N GLU A 77 9.988 -15.076 -9.535 1.00 3.34 N ATOM 987 CA GLU A 77 10.352 -13.678 -9.280 1.00 4.10 C ATOM 988 C GLU A 77 11.411 -13.174 -10.254 1.00 4.12 C ATOM 989 O GLU A 77 12.612 -13.327 -10.037 1.00 4.72 O ATOM 990 CB GLU A 77 10.859 -13.521 -7.844 1.00 4.59 C ATOM 991 CG GLU A 77 9.765 -13.178 -6.846 1.00 5.37 C ATOM 992 CD GLU A 77 10.150 -13.520 -5.420 1.00 6.17 C ATOM 993 OE1 GLU A 77 11.362 -13.509 -5.114 1.00 6.39 O ATOM 994 OE2 GLU A 77 9.243 -13.798 -4.610 1.00 6.84 O ATOM 0 H GLU A 77 9.548 -15.539 -8.740 1.00 3.34 H new ATOM 0 HA GLU A 77 9.454 -13.078 -9.425 1.00 4.10 H new ATOM 0 HB2 GLU A 77 11.343 -14.447 -7.535 1.00 4.59 H new ATOM 0 HB3 GLU A 77 11.619 -12.740 -7.819 1.00 4.59 H new ATOM 0 HG2 GLU A 77 9.538 -12.114 -6.912 1.00 5.37 H new ATOM 0 HG3 GLU A 77 8.854 -13.715 -7.112 1.00 5.37 H new ATOM 1001 N VAL A 78 10.924 -12.571 -11.332 1.00 3.88 N ATOM 1002 CA VAL A 78 11.771 -12.024 -12.376 1.00 4.32 C ATOM 1003 C VAL A 78 12.093 -10.566 -12.084 1.00 4.59 C ATOM 1004 O VAL A 78 11.791 -10.063 -11.002 1.00 4.66 O ATOM 1005 CB VAL A 78 11.104 -12.147 -13.767 1.00 4.22 C ATOM 1006 CG1 VAL A 78 11.398 -13.506 -14.376 1.00 3.62 C ATOM 1007 CG2 VAL A 78 9.601 -11.916 -13.675 1.00 4.61 C ATOM 0 H VAL A 78 9.926 -12.449 -11.504 1.00 3.88 H new ATOM 0 HA VAL A 78 12.695 -12.602 -12.390 1.00 4.32 H new ATOM 0 HB VAL A 78 11.524 -11.377 -14.414 1.00 4.22 H new ATOM 0 HG11 VAL A 78 10.922 -13.577 -15.354 1.00 3.62 H new ATOM 0 HG12 VAL A 78 12.475 -13.630 -14.487 1.00 3.62 H new ATOM 0 HG13 VAL A 78 11.008 -14.288 -13.725 1.00 3.62 H new ATOM 0 HG21 VAL A 78 9.157 -12.008 -14.666 1.00 4.61 H new ATOM 0 HG22 VAL A 78 9.159 -12.657 -13.009 1.00 4.61 H new ATOM 0 HG23 VAL A 78 9.410 -10.917 -13.283 1.00 4.61 H new ATOM 1011 N GLU A 79 12.725 -9.892 -13.035 1.00 5.02 N ATOM 1012 CA GLU A 79 13.106 -8.500 -12.846 1.00 5.37 C ATOM 1013 C GLU A 79 12.267 -7.553 -13.703 1.00 4.83 C ATOM 1014 O GLU A 79 12.656 -7.193 -14.813 1.00 5.25 O ATOM 1015 CB GLU A 79 14.593 -8.335 -13.161 1.00 6.47 C ATOM 1016 CG GLU A 79 15.445 -9.490 -12.653 1.00 7.05 C ATOM 1017 CD GLU A 79 16.395 -10.025 -13.707 1.00 7.91 C ATOM 1018 OE1 GLU A 79 15.981 -10.131 -14.881 1.00 8.58 O ATOM 1019 OE2 GLU A 79 17.552 -10.338 -13.359 1.00 8.13 O ATOM 0 H GLU A 79 12.983 -10.284 -13.940 1.00 5.02 H new ATOM 0 HA GLU A 79 12.918 -8.235 -11.806 1.00 5.37 H new ATOM 0 HB2 GLU A 79 14.721 -8.244 -14.240 1.00 6.47 H new ATOM 0 HB3 GLU A 79 14.951 -7.406 -12.718 1.00 6.47 H new ATOM 0 HG2 GLU A 79 16.019 -9.159 -11.787 1.00 7.05 H new ATOM 0 HG3 GLU A 79 14.793 -10.296 -12.315 1.00 7.05 H new ATOM 1026 N LEU A 80 11.120 -7.140 -13.164 1.00 4.12 N ATOM 1027 CA LEU A 80 10.225 -6.215 -13.859 1.00 3.69 C ATOM 1028 C LEU A 80 9.537 -5.284 -12.857 1.00 3.19 C ATOM 1029 O LEU A 80 9.204 -5.698 -11.747 1.00 2.62 O ATOM 1030 CB LEU A 80 9.167 -6.962 -14.689 1.00 3.48 C ATOM 1031 CG LEU A 80 8.969 -8.443 -14.354 1.00 3.52 C ATOM 1032 CD1 LEU A 80 10.147 -9.265 -14.852 1.00 4.01 C ATOM 1033 CD2 LEU A 80 8.765 -8.638 -12.858 1.00 3.62 C ATOM 0 H LEU A 80 10.788 -7.433 -12.245 1.00 4.12 H new ATOM 0 HA LEU A 80 10.834 -5.624 -14.543 1.00 3.69 H new ATOM 0 HB2 LEU A 80 8.212 -6.452 -14.566 1.00 3.48 H new ATOM 0 HB3 LEU A 80 9.438 -6.882 -15.742 1.00 3.48 H new ATOM 0 HG LEU A 80 8.070 -8.791 -14.863 1.00 3.52 H new ATOM 0 HD11 LEU A 80 9.989 -10.315 -14.605 1.00 4.01 H new ATOM 0 HD12 LEU A 80 10.236 -9.156 -15.933 1.00 4.01 H new ATOM 0 HD13 LEU A 80 11.063 -8.914 -14.376 1.00 4.01 H new ATOM 0 HD21 LEU A 80 8.627 -9.698 -12.645 1.00 3.62 H new ATOM 0 HD22 LEU A 80 9.639 -8.271 -12.321 1.00 3.62 H new ATOM 0 HD23 LEU A 80 7.883 -8.085 -12.536 1.00 3.62 H new ATOM 1039 N PRO A 81 9.324 -4.010 -13.231 1.00 3.80 N ATOM 1040 CA PRO A 81 8.681 -3.024 -12.353 1.00 3.74 C ATOM 1041 C PRO A 81 7.219 -3.353 -12.061 1.00 2.98 C ATOM 1042 O PRO A 81 6.431 -3.595 -12.976 1.00 3.21 O ATOM 1043 CB PRO A 81 8.779 -1.708 -13.139 1.00 4.99 C ATOM 1044 CG PRO A 81 9.782 -1.957 -14.213 1.00 5.53 C ATOM 1045 CD PRO A 81 9.697 -3.422 -14.527 1.00 4.94 C ATOM 0 HA PRO A 81 9.165 -2.992 -11.377 1.00 3.74 H new ATOM 0 HB2 PRO A 81 7.813 -1.431 -13.561 1.00 4.99 H new ATOM 0 HB3 PRO A 81 9.092 -0.888 -12.493 1.00 4.99 H new ATOM 0 HG2 PRO A 81 9.566 -1.356 -15.096 1.00 5.53 H new ATOM 0 HG3 PRO A 81 10.784 -1.687 -13.881 1.00 5.53 H new ATOM 0 HD2 PRO A 81 8.952 -3.629 -15.295 1.00 4.94 H new ATOM 0 HD3 PRO A 81 10.647 -3.814 -14.891 1.00 4.94 H new ATOM 1053 N LEU A 82 6.862 -3.344 -10.778 1.00 2.52 N ATOM 1054 CA LEU A 82 5.492 -3.623 -10.353 1.00 1.87 C ATOM 1055 C LEU A 82 5.394 -3.686 -8.835 1.00 1.58 C ATOM 1056 O LEU A 82 6.377 -3.964 -8.147 1.00 2.06 O ATOM 1057 CB LEU A 82 4.979 -4.934 -10.955 1.00 1.92 C ATOM 1058 CG LEU A 82 5.982 -6.091 -10.987 1.00 1.91 C ATOM 1059 CD1 LEU A 82 6.817 -6.134 -9.715 1.00 2.25 C ATOM 1060 CD2 LEU A 82 5.258 -7.409 -11.188 1.00 2.10 C ATOM 0 H LEU A 82 7.506 -3.146 -10.012 1.00 2.52 H new ATOM 0 HA LEU A 82 4.869 -2.805 -10.715 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.103 -5.253 -10.390 1.00 1.92 H new ATOM 0 HB3 LEU A 82 4.647 -4.738 -11.974 1.00 1.92 H new ATOM 0 HG LEU A 82 6.658 -5.927 -11.826 1.00 1.91 H new ATOM 0 HD11 LEU A 82 7.519 -6.966 -9.769 1.00 2.25 H new ATOM 0 HD12 LEU A 82 7.369 -5.200 -9.610 1.00 2.25 H new ATOM 0 HD13 LEU A 82 6.162 -6.267 -8.854 1.00 2.25 H new ATOM 0 HD21 LEU A 82 5.983 -8.223 -11.209 1.00 2.10 H new ATOM 0 HD22 LEU A 82 4.557 -7.568 -10.368 1.00 2.10 H new ATOM 0 HD23 LEU A 82 4.713 -7.384 -12.132 1.00 2.10 H new ATOM 1066 N LEU A 83 4.201 -3.422 -8.321 1.00 1.15 N ATOM 1067 CA LEU A 83 3.967 -3.446 -6.883 1.00 1.18 C ATOM 1068 C LEU A 83 2.790 -4.352 -6.516 1.00 1.05 C ATOM 1069 O LEU A 83 2.698 -4.835 -5.387 1.00 1.39 O ATOM 1070 CB LEU A 83 3.731 -2.026 -6.365 1.00 1.20 C ATOM 1071 CG LEU A 83 4.985 -1.317 -5.852 1.00 2.03 C ATOM 1072 CD1 LEU A 83 5.457 -1.954 -4.555 1.00 3.13 C ATOM 1073 CD2 LEU A 83 6.088 -1.358 -6.899 1.00 2.48 C ATOM 0 H LEU A 83 3.379 -3.189 -8.878 1.00 1.15 H new ATOM 0 HA LEU A 83 4.857 -3.857 -6.407 1.00 1.18 H new ATOM 0 HB2 LEU A 83 3.295 -1.429 -7.166 1.00 1.20 H new ATOM 0 HB3 LEU A 83 2.997 -2.065 -5.560 1.00 1.20 H new ATOM 0 HG LEU A 83 4.738 -0.274 -5.656 1.00 2.03 H new ATOM 0 HD11 LEU A 83 6.350 -1.440 -4.201 1.00 3.13 H new ATOM 0 HD12 LEU A 83 4.671 -1.875 -3.804 1.00 3.13 H new ATOM 0 HD13 LEU A 83 5.688 -3.005 -4.729 1.00 3.13 H new ATOM 0 HD21 LEU A 83 6.972 -0.849 -6.516 1.00 2.48 H new ATOM 0 HD22 LEU A 83 6.336 -2.395 -7.126 1.00 2.48 H new ATOM 0 HD23 LEU A 83 5.747 -0.860 -7.807 1.00 2.48 H new ATOM 1079 N GLY A 84 1.896 -4.589 -7.473 1.00 0.86 N ATOM 1080 CA GLY A 84 0.749 -5.446 -7.216 1.00 1.17 C ATOM 1081 C GLY A 84 -0.403 -4.717 -6.545 1.00 1.02 C ATOM 1082 O GLY A 84 -0.541 -3.498 -6.674 1.00 0.95 O ATOM 0 H GLY A 84 1.944 -4.206 -8.417 1.00 0.86 H new ATOM 0 HA2 GLY A 84 0.402 -5.871 -8.158 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.060 -6.279 -6.586 1.00 1.17 H new ATOM 1086 N ASP A 85 -1.239 -5.471 -5.830 1.00 1.00 N ATOM 1087 CA ASP A 85 -2.392 -4.899 -5.139 1.00 0.88 C ATOM 1088 C ASP A 85 -2.269 -5.079 -3.628 1.00 0.82 C ATOM 1089 O ASP A 85 -1.688 -6.056 -3.156 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.682 -5.551 -5.641 1.00 0.86 C ATOM 1091 CG ASP A 85 -3.882 -5.361 -7.133 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -2.984 -5.754 -7.907 1.00 2.12 O ATOM 1093 OD2 ASP A 85 -4.937 -4.819 -7.525 1.00 2.17 O ATOM 0 H ASP A 85 -1.138 -6.479 -5.715 1.00 1.00 H new ATOM 0 HA ASP A 85 -2.423 -3.831 -5.354 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -3.660 -6.617 -5.413 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -4.532 -5.128 -5.106 1.00 0.86 H new ATOM 1098 N LEU A 86 -2.815 -4.128 -2.872 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.758 -4.185 -1.415 1.00 0.69 C ATOM 1100 C LEU A 86 -4.143 -4.027 -0.794 1.00 0.60 C ATOM 1101 O LEU A 86 -5.081 -3.564 -1.442 1.00 0.71 O ATOM 1102 CB LEU A 86 -1.829 -3.096 -0.879 1.00 0.82 C ATOM 1103 CG LEU A 86 -0.983 -3.511 0.322 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.232 -4.298 -0.137 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -0.559 -2.289 1.125 1.00 1.10 C ATOM 0 H LEU A 86 -3.300 -3.312 -3.244 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.370 -5.165 -1.139 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.164 -2.778 -1.682 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.430 -2.230 -0.601 1.00 0.82 H new ATOM 0 HG LEU A 86 -1.586 -4.150 0.967 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.827 -4.588 0.729 1.00 1.41 H new ATOM 0 HD12 LEU A 86 -0.093 -5.192 -0.669 1.00 1.41 H new ATOM 0 HD13 LEU A 86 0.836 -3.680 -0.801 1.00 1.41 H new ATOM 0 HD21 LEU A 86 0.043 -2.605 1.977 1.00 1.10 H new ATOM 0 HD22 LEU A 86 0.028 -1.624 0.492 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -1.444 -1.763 1.482 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.254 -4.411 0.476 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.512 -4.310 1.204 1.00 0.59 C ATOM 1113 C VAL A 87 -5.276 -3.826 2.630 1.00 0.66 C ATOM 1114 O VAL A 87 -4.784 -4.575 3.473 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.248 -5.660 1.257 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -7.605 -5.503 1.920 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.387 -6.251 -0.138 1.00 1.15 C ATOM 0 H VAL A 87 -3.483 -4.796 1.022 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.129 -3.590 0.666 1.00 0.59 H new ATOM 0 HB VAL A 87 -5.657 -6.351 1.858 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.110 -6.468 1.948 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -7.473 -5.133 2.937 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.208 -4.795 1.352 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -6.910 -7.205 -0.078 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -6.953 -5.566 -0.769 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.397 -6.406 -0.568 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.629 -2.573 2.895 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.450 -1.996 4.224 1.00 0.66 C ATOM 1123 C ILE A 88 -6.799 -1.710 4.883 1.00 0.74 C ATOM 1124 O ILE A 88 -7.822 -1.604 4.208 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.608 -0.698 4.153 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -3.142 -1.036 3.879 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.733 0.119 5.433 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -2.446 -0.025 2.994 1.00 1.94 C ATOM 0 H ILE A 88 -6.040 -1.938 2.210 1.00 0.57 H new ATOM 0 HA ILE A 88 -4.915 -2.726 4.832 1.00 0.66 H new ATOM 0 HB ILE A 88 -4.994 -0.092 3.334 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -2.610 -1.105 4.828 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -3.085 -2.018 3.410 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -4.129 1.023 5.348 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.776 0.393 5.589 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -4.383 -0.473 6.278 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -1.410 -0.327 2.841 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -2.955 0.027 2.031 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -2.471 0.955 3.471 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.791 -1.589 6.207 1.00 0.79 N ATOM 1133 CA CYS A 89 -8.008 -1.315 6.959 1.00 0.89 C ATOM 1134 C CYS A 89 -8.010 0.124 7.476 1.00 0.78 C ATOM 1135 O CYS A 89 -7.044 0.574 8.093 1.00 0.73 O ATOM 1136 CB CYS A 89 -8.144 -2.299 8.123 1.00 1.12 C ATOM 1137 SG CYS A 89 -8.215 -4.033 7.616 1.00 1.32 S ATOM 0 H CYS A 89 -5.953 -1.677 6.781 1.00 0.79 H new ATOM 0 HA CYS A 89 -8.861 -1.441 6.292 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -7.301 -2.163 8.800 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -9.046 -2.058 8.685 1.00 1.12 H new ATOM 0 HG CYS A 89 -8.328 -4.788 8.668 1.00 1.32 H new ATOM 1143 N ARG A 90 -9.095 0.841 7.205 1.00 0.91 N ATOM 1144 CA ARG A 90 -9.226 2.236 7.625 1.00 0.91 C ATOM 1145 C ARG A 90 -9.623 2.362 9.096 1.00 0.81 C ATOM 1146 O ARG A 90 -9.720 3.471 9.621 1.00 0.99 O ATOM 1147 CB ARG A 90 -10.260 2.956 6.756 1.00 1.14 C ATOM 1148 CG ARG A 90 -11.530 2.150 6.525 1.00 2.09 C ATOM 1149 CD ARG A 90 -12.781 2.972 6.796 1.00 2.56 C ATOM 1150 NE ARG A 90 -13.582 2.406 7.878 1.00 3.28 N ATOM 1151 CZ ARG A 90 -14.168 1.212 7.822 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -14.051 0.458 6.736 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -14.873 0.769 8.853 1.00 5.12 N ATOM 0 H ARG A 90 -9.901 0.480 6.694 1.00 0.91 H new ATOM 0 HA ARG A 90 -8.247 2.700 7.501 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -10.522 3.903 7.227 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -9.810 3.193 5.792 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -11.549 1.789 5.497 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -11.525 1.272 7.171 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -12.496 3.993 7.051 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -13.383 3.026 5.889 1.00 2.56 H new ATOM 0 HE ARG A 90 -13.699 2.959 8.727 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -13.510 0.793 5.939 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -14.502 -0.456 6.699 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -14.967 1.343 9.691 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -15.321 -0.146 8.809 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.871 1.235 9.755 1.00 0.66 N ATOM 1168 CA GLN A 91 -10.275 1.255 11.158 1.00 0.63 C ATOM 1169 C GLN A 91 -9.077 1.133 12.099 1.00 0.58 C ATOM 1170 O GLN A 91 -9.049 1.752 13.162 1.00 0.58 O ATOM 1171 CB GLN A 91 -11.271 0.123 11.434 1.00 0.69 C ATOM 1172 CG GLN A 91 -12.712 0.593 11.536 1.00 0.83 C ATOM 1173 CD GLN A 91 -13.594 -0.394 12.274 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -13.755 -0.310 13.492 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -14.171 -1.337 11.539 1.00 1.12 N ATOM 0 H GLN A 91 -9.801 0.303 9.345 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.750 2.217 11.349 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -11.195 -0.619 10.639 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -10.994 -0.376 12.363 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -12.742 1.555 12.048 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -13.110 0.753 10.534 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -14.010 -1.369 10.532 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -14.776 -2.029 11.981 1.00 1.12 H new ATOM 1182 N VAL A 92 -8.099 0.322 11.715 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.915 0.111 12.542 1.00 0.60 C ATOM 1184 C VAL A 92 -5.881 1.221 12.363 1.00 0.55 C ATOM 1185 O VAL A 92 -5.358 1.753 13.344 1.00 0.65 O ATOM 1186 CB VAL A 92 -6.256 -1.250 12.240 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -5.736 -1.296 10.810 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -5.137 -1.533 13.231 1.00 1.68 C ATOM 0 H VAL A 92 -8.101 -0.200 10.839 1.00 0.58 H new ATOM 0 HA VAL A 92 -7.260 0.124 13.576 1.00 0.60 H new ATOM 0 HB VAL A 92 -7.013 -2.027 12.347 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -5.276 -2.266 10.621 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -6.564 -1.146 10.117 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -4.996 -0.509 10.667 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -4.684 -2.498 13.002 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -4.381 -0.751 13.160 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -5.543 -1.554 14.242 1.00 1.68 H new ATOM 1192 N VAL A 93 -5.578 1.563 11.114 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.595 2.605 10.835 1.00 0.49 C ATOM 1194 C VAL A 93 -5.120 3.976 11.252 1.00 0.54 C ATOM 1195 O VAL A 93 -4.405 4.762 11.874 1.00 0.61 O ATOM 1196 CB VAL A 93 -4.176 2.624 9.342 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -4.040 1.206 8.809 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -5.157 3.417 8.492 1.00 0.69 C ATOM 0 H VAL A 93 -5.995 1.138 10.286 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.709 2.372 11.426 1.00 0.49 H new ATOM 0 HB VAL A 93 -3.208 3.120 9.279 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.745 1.238 7.760 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -3.282 0.673 9.383 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.995 0.689 8.902 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.829 3.407 7.453 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -6.147 2.967 8.564 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.199 4.446 8.849 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.377 4.250 10.919 1.00 0.59 N ATOM 1203 CA GLU A 94 -6.997 5.519 11.276 1.00 0.69 C ATOM 1204 C GLU A 94 -7.056 5.664 12.790 1.00 0.67 C ATOM 1205 O GLU A 94 -6.872 6.756 13.330 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.404 5.614 10.686 1.00 0.78 C ATOM 1207 CG GLU A 94 -9.028 6.994 10.819 1.00 1.31 C ATOM 1208 CD GLU A 94 -9.942 7.335 9.657 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -10.977 6.654 9.497 1.00 1.98 O ATOM 1210 OE2 GLU A 94 -9.622 8.282 8.909 1.00 2.25 O ATOM 0 H GLU A 94 -6.984 3.612 10.404 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.393 6.327 10.864 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.366 5.342 9.631 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -9.046 4.885 11.180 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -9.594 7.045 11.749 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -8.237 7.741 10.886 1.00 1.31 H new ATOM 1217 N ARG A 95 -7.306 4.550 13.473 1.00 0.59 N ATOM 1218 CA ARG A 95 -7.380 4.549 14.928 1.00 0.61 C ATOM 1219 C ARG A 95 -5.985 4.685 15.528 1.00 0.70 C ATOM 1220 O ARG A 95 -5.768 5.475 16.448 1.00 0.77 O ATOM 1221 CB ARG A 95 -8.046 3.268 15.432 1.00 0.60 C ATOM 1222 CG ARG A 95 -8.362 3.291 16.919 1.00 0.87 C ATOM 1223 CD ARG A 95 -9.694 3.969 17.193 1.00 1.58 C ATOM 1224 NE ARG A 95 -10.815 3.038 17.089 1.00 2.18 N ATOM 1225 CZ ARG A 95 -12.090 3.394 17.229 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -12.410 4.657 17.477 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -13.048 2.483 17.119 1.00 3.75 N ATOM 0 H ARG A 95 -7.460 3.639 13.042 1.00 0.59 H new ATOM 0 HA ARG A 95 -7.984 5.401 15.242 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -8.969 3.105 14.875 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -7.393 2.421 15.221 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -8.385 2.271 17.303 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -7.569 3.815 17.453 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -9.679 4.408 18.191 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -9.836 4.787 16.487 1.00 1.58 H new ATOM 0 HE ARG A 95 -10.609 2.058 16.898 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -11.677 5.362 17.561 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -13.389 4.924 17.583 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -12.807 1.510 16.927 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -14.025 2.755 17.226 1.00 3.75 H new ATOM 1241 N GLU A 96 -5.041 3.919 14.991 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.664 3.965 15.466 1.00 0.86 C ATOM 1243 C GLU A 96 -3.081 5.358 15.259 1.00 0.90 C ATOM 1244 O GLU A 96 -2.398 5.895 16.133 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.812 2.925 14.735 1.00 0.93 C ATOM 1246 CG GLU A 96 -1.666 2.381 15.571 1.00 1.34 C ATOM 1247 CD GLU A 96 -1.449 0.894 15.367 1.00 1.68 C ATOM 1248 OE1 GLU A 96 -2.421 0.125 15.525 1.00 2.50 O ATOM 1249 OE2 GLU A 96 -0.309 0.499 15.048 1.00 1.89 O ATOM 0 H GLU A 96 -5.204 3.261 14.229 1.00 0.73 H new ATOM 0 HA GLU A 96 -3.658 3.735 16.531 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -3.450 2.097 14.426 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -2.408 3.372 13.827 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -0.751 2.916 15.318 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -1.867 2.574 16.625 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.365 5.942 14.098 1.00 0.83 N ATOM 1257 CA ALA A 97 -2.880 7.277 13.776 1.00 0.92 C ATOM 1258 C ALA A 97 -3.642 8.332 14.569 1.00 1.00 C ATOM 1259 O ALA A 97 -3.054 9.287 15.078 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.007 7.541 12.284 1.00 0.87 C ATOM 0 H ALA A 97 -3.929 5.510 13.366 1.00 0.83 H new ATOM 0 HA ALA A 97 -1.827 7.335 14.052 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -2.641 8.543 12.059 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -2.418 6.807 11.733 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.053 7.463 11.988 1.00 0.87 H new ATOM 1266 N SER A 98 -4.954 8.147 14.677 1.00 0.92 N ATOM 1267 CA SER A 98 -5.798 9.079 15.417 1.00 1.01 C ATOM 1268 C SER A 98 -5.431 9.073 16.896 1.00 1.07 C ATOM 1269 O SER A 98 -5.499 10.103 17.569 1.00 1.18 O ATOM 1270 CB SER A 98 -7.274 8.715 15.242 1.00 0.99 C ATOM 1271 OG SER A 98 -8.087 9.432 16.154 1.00 1.50 O ATOM 0 H SER A 98 -5.455 7.361 14.262 1.00 0.92 H new ATOM 0 HA SER A 98 -5.633 10.081 15.020 1.00 1.01 H new ATOM 0 HB2 SER A 98 -7.587 8.934 14.221 1.00 0.99 H new ATOM 0 HB3 SER A 98 -7.408 7.644 15.394 1.00 0.99 H new ATOM 0 HG SER A 98 -9.026 9.183 16.021 1.00 1.50 H new ATOM 1277 N GLU A 99 -5.036 7.906 17.396 1.00 1.04 N ATOM 1278 CA GLU A 99 -4.652 7.762 18.794 1.00 1.13 C ATOM 1279 C GLU A 99 -3.192 8.157 18.993 1.00 1.27 C ATOM 1280 O GLU A 99 -2.822 8.702 20.032 1.00 1.45 O ATOM 1281 CB GLU A 99 -4.871 6.321 19.259 1.00 1.07 C ATOM 1282 CG GLU A 99 -5.157 6.198 20.747 1.00 1.76 C ATOM 1283 CD GLU A 99 -5.338 4.759 21.189 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -4.696 3.870 20.590 1.00 2.88 O ATOM 1285 OE2 GLU A 99 -6.121 4.522 22.132 1.00 2.68 O ATOM 0 H GLU A 99 -4.974 7.046 16.852 1.00 1.04 H new ATOM 0 HA GLU A 99 -5.277 8.426 19.391 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -5.703 5.891 18.701 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -3.986 5.732 19.018 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -4.338 6.646 21.309 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -6.057 6.764 20.988 1.00 1.76 H new ATOM 1292 N GLN A 100 -2.370 7.882 17.985 1.00 1.22 N ATOM 1293 CA GLN A 100 -0.950 8.212 18.043 1.00 1.37 C ATOM 1294 C GLN A 100 -0.733 9.723 17.979 1.00 1.48 C ATOM 1295 O GLN A 100 0.321 10.224 18.371 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.201 7.530 16.898 1.00 1.33 C ATOM 1297 CG GLN A 100 0.192 6.093 17.198 1.00 1.96 C ATOM 1298 CD GLN A 100 1.650 5.957 17.590 1.00 2.38 C ATOM 1299 OE1 GLN A 100 2.541 6.004 16.741 1.00 3.19 O ATOM 1300 NE2 GLN A 100 1.902 5.787 18.882 1.00 2.35 N ATOM 0 H GLN A 100 -2.663 7.431 17.118 1.00 1.22 H new ATOM 0 HA GLN A 100 -0.559 7.849 18.994 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -0.826 7.548 16.005 1.00 1.33 H new ATOM 0 HB3 GLN A 100 0.698 8.104 16.670 1.00 1.33 H new ATOM 0 HG2 GLN A 100 -0.434 5.710 18.004 1.00 1.96 H new ATOM 0 HG3 GLN A 100 -0.004 5.476 16.321 1.00 1.96 H new ATOM 0 HE21 GLN A 100 1.133 5.754 19.552 1.00 2.35 H new ATOM 0 HE22 GLN A 100 2.864 5.689 19.205 1.00 2.35 H new ATOM 1307 N GLU A 101 -1.737 10.445 17.486 1.00 1.44 N ATOM 1308 CA GLU A 101 -1.653 11.898 17.372 1.00 1.59 C ATOM 1309 C GLU A 101 -0.644 12.303 16.301 1.00 1.58 C ATOM 1310 O GLU A 101 0.219 13.151 16.534 1.00 1.81 O ATOM 1311 CB GLU A 101 -1.272 12.519 18.719 1.00 1.80 C ATOM 1312 CG GLU A 101 -2.084 13.756 19.069 1.00 2.02 C ATOM 1313 CD GLU A 101 -1.596 14.997 18.347 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -0.440 15.405 18.582 1.00 2.04 O ATOM 1315 OE2 GLU A 101 -2.371 15.561 17.546 1.00 2.68 O ATOM 0 H GLU A 101 -2.618 10.047 17.159 1.00 1.44 H new ATOM 0 HA GLU A 101 -2.634 12.271 17.078 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -1.404 11.774 19.504 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -0.214 12.781 18.703 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -3.130 13.582 18.818 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -2.038 13.924 20.145 1.00 2.02 H new ATOM 1322 N LYS A 102 -0.760 11.693 15.126 1.00 1.36 N ATOM 1323 CA LYS A 102 0.140 11.991 14.018 1.00 1.36 C ATOM 1324 C LYS A 102 -0.647 12.253 12.735 1.00 1.24 C ATOM 1325 O LYS A 102 -1.835 11.940 12.651 1.00 1.16 O ATOM 1326 CB LYS A 102 1.122 10.837 13.806 1.00 1.37 C ATOM 1327 CG LYS A 102 2.553 11.179 14.187 1.00 1.77 C ATOM 1328 CD LYS A 102 2.932 10.580 15.533 1.00 2.28 C ATOM 1329 CE LYS A 102 3.094 9.071 15.444 1.00 2.19 C ATOM 1330 NZ LYS A 102 3.892 8.666 14.254 1.00 2.36 N ATOM 0 H LYS A 102 -1.468 10.989 14.917 1.00 1.36 H new ATOM 0 HA LYS A 102 0.701 12.891 14.268 1.00 1.36 H new ATOM 0 HB2 LYS A 102 0.794 9.979 14.393 1.00 1.37 H new ATOM 0 HB3 LYS A 102 1.096 10.536 12.759 1.00 1.37 H new ATOM 0 HG2 LYS A 102 3.233 10.810 13.419 1.00 1.77 H new ATOM 0 HG3 LYS A 102 2.672 12.262 14.224 1.00 1.77 H new ATOM 0 HD2 LYS A 102 3.863 11.027 15.883 1.00 2.28 H new ATOM 0 HD3 LYS A 102 2.166 10.822 16.269 1.00 2.28 H new ATOM 0 HE2 LYS A 102 3.580 8.704 16.348 1.00 2.19 H new ATOM 0 HE3 LYS A 102 2.111 8.603 15.398 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 4.363 7.758 14.444 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 3.263 8.564 13.432 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 4.609 9.392 14.053 1.00 2.36 H new ATOM 1344 N PRO A 103 0.008 12.832 11.714 1.00 1.27 N ATOM 1345 CA PRO A 103 -0.637 13.132 10.432 1.00 1.21 C ATOM 1346 C PRO A 103 -0.996 11.870 9.657 1.00 1.01 C ATOM 1347 O PRO A 103 -0.123 11.084 9.292 1.00 0.97 O ATOM 1348 CB PRO A 103 0.422 13.941 9.678 1.00 1.28 C ATOM 1349 CG PRO A 103 1.719 13.526 10.282 1.00 1.36 C ATOM 1350 CD PRO A 103 1.426 13.236 11.729 1.00 1.42 C ATOM 0 HA PRO A 103 -1.580 13.663 10.565 1.00 1.21 H new ATOM 0 HB2 PRO A 103 0.397 13.727 8.610 1.00 1.28 H new ATOM 0 HB3 PRO A 103 0.257 15.012 9.792 1.00 1.28 H new ATOM 0 HG2 PRO A 103 2.119 12.645 9.780 1.00 1.36 H new ATOM 0 HG3 PRO A 103 2.465 14.315 10.185 1.00 1.36 H new ATOM 0 HD2 PRO A 103 2.066 12.444 12.118 1.00 1.42 H new ATOM 0 HD3 PRO A 103 1.588 14.113 12.356 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.288 11.683 9.408 1.00 1.00 N ATOM 1359 CA LEU A 104 -2.766 10.516 8.676 1.00 0.93 C ATOM 1360 C LEU A 104 -2.126 10.435 7.291 1.00 0.85 C ATOM 1361 O LEU A 104 -2.034 9.359 6.702 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.291 10.559 8.546 1.00 1.11 C ATOM 1363 CG LEU A 104 -5.049 9.678 9.541 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.549 9.887 9.402 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.692 8.215 9.336 1.00 1.51 C ATOM 0 H LEU A 104 -3.023 12.325 9.703 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.480 9.627 9.237 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.622 11.590 8.670 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.563 10.256 7.535 1.00 1.11 H new ATOM 0 HG LEU A 104 -4.754 9.965 10.550 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -7.073 9.253 10.117 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -6.791 10.932 9.599 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -6.860 9.627 8.390 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -5.240 7.603 10.052 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.958 7.914 8.323 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.621 8.077 9.486 1.00 1.51 H new ATOM 1371 N MET A 105 -1.684 11.581 6.776 1.00 0.98 N ATOM 1372 CA MET A 105 -1.054 11.638 5.461 1.00 0.99 C ATOM 1373 C MET A 105 0.077 10.618 5.349 1.00 0.76 C ATOM 1374 O MET A 105 0.012 9.691 4.543 1.00 0.81 O ATOM 1375 CB MET A 105 -0.519 13.047 5.192 1.00 1.22 C ATOM 1376 CG MET A 105 -1.154 13.718 3.984 1.00 1.08 C ATOM 1377 SD MET A 105 -2.751 14.463 4.364 1.00 1.56 S ATOM 1378 CE MET A 105 -3.721 13.007 4.746 1.00 1.27 C ATOM 0 H MET A 105 -1.751 12.482 7.250 1.00 0.98 H new ATOM 0 HA MET A 105 -1.809 11.393 4.713 1.00 0.99 H new ATOM 0 HB2 MET A 105 -0.690 13.666 6.073 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.560 12.995 5.043 1.00 1.22 H new ATOM 0 HG2 MET A 105 -0.480 14.486 3.604 1.00 1.08 H new ATOM 0 HG3 MET A 105 -1.280 12.983 3.189 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.772 13.204 4.534 1.00 1.27 H new ATOM 0 HE2 MET A 105 -3.378 12.171 4.136 1.00 1.27 H new ATOM 0 HE3 MET A 105 -3.604 12.758 5.801 1.00 1.27 H new ATOM 1388 N ALA A 106 1.112 10.797 6.163 1.00 0.70 N ATOM 1389 CA ALA A 106 2.256 9.893 6.154 1.00 0.63 C ATOM 1390 C ALA A 106 1.832 8.474 6.526 1.00 0.54 C ATOM 1391 O ALA A 106 2.416 7.495 6.057 1.00 0.61 O ATOM 1392 CB ALA A 106 3.329 10.395 7.109 1.00 0.84 C ATOM 0 H ALA A 106 1.182 11.559 6.837 1.00 0.70 H new ATOM 0 HA ALA A 106 2.667 9.869 5.145 1.00 0.63 H new ATOM 0 HB1 ALA A 106 4.178 9.712 7.094 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.656 11.388 6.799 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.922 10.446 8.119 1.00 0.84 H new ATOM 1398 N HIS A 107 0.812 8.374 7.376 1.00 0.53 N ATOM 1399 CA HIS A 107 0.305 7.080 7.821 1.00 0.60 C ATOM 1400 C HIS A 107 -0.021 6.176 6.637 1.00 0.55 C ATOM 1401 O HIS A 107 0.506 5.071 6.528 1.00 0.70 O ATOM 1402 CB HIS A 107 -0.940 7.269 8.691 1.00 0.70 C ATOM 1403 CG HIS A 107 -1.015 6.312 9.840 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -1.805 5.182 9.827 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -0.389 6.318 11.041 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -1.663 4.536 10.970 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -0.809 5.204 11.724 1.00 2.34 N ATOM 0 H HIS A 107 0.320 9.176 7.770 1.00 0.53 H new ATOM 0 HA HIS A 107 1.086 6.600 8.411 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -0.953 8.289 9.076 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -1.829 7.151 8.071 1.00 0.70 H new ATOM 0 HD2 HIS A 107 0.310 7.061 11.395 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -2.161 3.617 11.242 1.00 2.26 H new ATOM 0 HE2 HIS A 107 -0.510 4.936 12.662 1.00 2.34 H new ATOM 1416 N TRP A 108 -0.888 6.653 5.748 1.00 0.47 N ATOM 1417 CA TRP A 108 -1.273 5.879 4.573 1.00 0.46 C ATOM 1418 C TRP A 108 -0.044 5.515 3.746 1.00 0.43 C ATOM 1419 O TRP A 108 0.178 4.345 3.418 1.00 0.47 O ATOM 1420 CB TRP A 108 -2.273 6.664 3.720 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.685 6.185 3.878 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -4.268 5.128 3.241 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.692 6.747 4.728 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.576 4.997 3.644 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.860 5.979 4.556 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.720 7.825 5.618 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -7.040 6.255 5.241 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.892 8.098 6.297 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -7.038 7.316 6.106 1.00 2.00 C ATOM 0 H TRP A 108 -1.335 7.567 5.819 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.750 4.958 4.909 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -2.221 7.719 3.989 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -1.985 6.588 2.671 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.774 4.488 2.525 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -6.229 4.285 3.317 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.841 8.433 5.772 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.925 5.654 5.095 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -5.925 8.928 6.987 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -7.939 7.555 6.652 1.00 2.00 H new ATOM 1440 N ALA A 109 0.765 6.524 3.423 1.00 0.47 N ATOM 1441 CA ALA A 109 1.982 6.310 2.649 1.00 0.51 C ATOM 1442 C ALA A 109 2.798 5.170 3.245 1.00 0.49 C ATOM 1443 O ALA A 109 3.012 4.143 2.602 1.00 0.64 O ATOM 1444 CB ALA A 109 2.809 7.587 2.597 1.00 0.62 C ATOM 0 H ALA A 109 0.598 7.495 3.686 1.00 0.47 H new ATOM 0 HA ALA A 109 1.702 6.038 1.631 1.00 0.51 H new ATOM 0 HB1 ALA A 109 3.714 7.411 2.016 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.225 8.380 2.129 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.080 7.886 3.609 1.00 0.62 H new ATOM 1450 N HIS A 110 3.236 5.351 4.487 1.00 0.44 N ATOM 1451 CA HIS A 110 4.012 4.330 5.176 1.00 0.53 C ATOM 1452 C HIS A 110 3.207 3.039 5.293 1.00 0.60 C ATOM 1453 O HIS A 110 3.750 1.940 5.169 1.00 0.86 O ATOM 1454 CB HIS A 110 4.424 4.819 6.564 1.00 0.57 C ATOM 1455 CG HIS A 110 5.405 3.919 7.248 1.00 1.03 C ATOM 1456 ND1 HIS A 110 6.729 3.827 6.874 1.00 1.58 N ATOM 1457 CD2 HIS A 110 5.251 3.066 8.289 1.00 1.90 C ATOM 1458 CE1 HIS A 110 7.346 2.957 7.655 1.00 1.93 C ATOM 1459 NE2 HIS A 110 6.471 2.482 8.521 1.00 2.16 N ATOM 0 H HIS A 110 3.066 6.194 5.035 1.00 0.44 H new ATOM 0 HA HIS A 110 4.912 4.131 4.594 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.858 5.815 6.476 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.534 4.913 7.186 1.00 0.57 H new ATOM 0 HD1 HIS A 110 7.164 4.349 6.113 1.00 1.58 H new ATOM 0 HD2 HIS A 110 4.338 2.880 8.835 1.00 1.90 H new ATOM 0 HE1 HIS A 110 8.389 2.682 7.595 1.00 1.93 H new ATOM 1468 N MET A 111 1.904 3.182 5.529 1.00 0.50 N ATOM 1469 CA MET A 111 1.021 2.032 5.660 1.00 0.59 C ATOM 1470 C MET A 111 1.162 1.097 4.460 1.00 0.59 C ATOM 1471 O MET A 111 1.595 -0.045 4.601 1.00 0.78 O ATOM 1472 CB MET A 111 -0.432 2.491 5.798 1.00 0.63 C ATOM 1473 CG MET A 111 -0.882 2.654 7.240 1.00 1.24 C ATOM 1474 SD MET A 111 -0.923 1.091 8.138 1.00 2.04 S ATOM 1475 CE MET A 111 -1.809 0.057 6.974 1.00 1.59 C ATOM 0 H MET A 111 1.440 4.084 5.633 1.00 0.50 H new ATOM 0 HA MET A 111 1.308 1.485 6.558 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.556 3.441 5.278 1.00 0.63 H new ATOM 0 HB3 MET A 111 -1.081 1.769 5.303 1.00 0.63 H new ATOM 0 HG2 MET A 111 -0.210 3.344 7.750 1.00 1.24 H new ATOM 0 HG3 MET A 111 -1.874 3.105 7.258 1.00 1.24 H new ATOM 0 HE1 MET A 111 -2.102 -0.872 7.463 1.00 1.59 H new ATOM 0 HE2 MET A 111 -2.699 0.581 6.626 1.00 1.59 H new ATOM 0 HE3 MET A 111 -1.165 -0.168 6.124 1.00 1.59 H new ATOM 1485 N VAL A 112 0.802 1.589 3.278 1.00 0.51 N ATOM 1486 CA VAL A 112 0.899 0.786 2.060 1.00 0.58 C ATOM 1487 C VAL A 112 2.262 0.099 1.960 1.00 0.64 C ATOM 1488 O VAL A 112 2.348 -1.119 1.780 1.00 0.78 O ATOM 1489 CB VAL A 112 0.674 1.646 0.800 1.00 0.59 C ATOM 1490 CG1 VAL A 112 0.672 0.779 -0.452 1.00 1.46 C ATOM 1491 CG2 VAL A 112 -0.625 2.428 0.914 1.00 1.42 C ATOM 0 H VAL A 112 0.443 2.533 3.136 1.00 0.51 H new ATOM 0 HA VAL A 112 0.117 0.029 2.117 1.00 0.58 H new ATOM 0 HB VAL A 112 1.497 2.356 0.719 1.00 0.59 H new ATOM 0 HG11 VAL A 112 0.512 1.406 -1.329 1.00 1.46 H new ATOM 0 HG12 VAL A 112 1.630 0.268 -0.542 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -0.128 0.041 -0.383 1.00 1.46 H new ATOM 0 HG21 VAL A 112 -0.768 3.029 0.016 1.00 1.42 H new ATOM 0 HG22 VAL A 112 -1.459 1.734 1.023 1.00 1.42 H new ATOM 0 HG23 VAL A 112 -0.581 3.082 1.785 1.00 1.42 H new ATOM 1495 N VAL A 113 3.322 0.890 2.083 1.00 0.61 N ATOM 1496 CA VAL A 113 4.681 0.369 2.011 1.00 0.72 C ATOM 1497 C VAL A 113 4.938 -0.672 3.098 1.00 0.82 C ATOM 1498 O VAL A 113 5.830 -1.510 2.963 1.00 1.03 O ATOM 1499 CB VAL A 113 5.721 1.498 2.142 1.00 0.73 C ATOM 1500 CG1 VAL A 113 7.126 0.961 1.916 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.409 2.626 1.170 1.00 0.63 C ATOM 0 H VAL A 113 3.265 1.897 2.233 1.00 0.61 H new ATOM 0 HA VAL A 113 4.784 -0.103 1.034 1.00 0.72 H new ATOM 0 HB VAL A 113 5.670 1.898 3.155 1.00 0.73 H new ATOM 0 HG11 VAL A 113 7.846 1.774 2.013 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.345 0.192 2.657 1.00 0.97 H new ATOM 0 HG13 VAL A 113 7.195 0.532 0.916 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.154 3.415 1.277 1.00 0.63 H new ATOM 0 HG22 VAL A 113 5.429 2.243 0.150 1.00 0.63 H new ATOM 0 HG23 VAL A 113 4.420 3.030 1.386 1.00 0.63 H new ATOM 1505 N HIS A 114 4.161 -0.616 4.178 1.00 0.75 N ATOM 1506 CA HIS A 114 4.326 -1.561 5.279 1.00 0.85 C ATOM 1507 C HIS A 114 3.759 -2.933 4.920 1.00 0.96 C ATOM 1508 O HIS A 114 4.440 -3.950 5.049 1.00 1.08 O ATOM 1509 CB HIS A 114 3.669 -1.016 6.561 1.00 0.89 C ATOM 1510 CG HIS A 114 2.375 -1.685 6.936 1.00 0.99 C ATOM 1511 ND1 HIS A 114 2.299 -2.994 7.359 1.00 1.39 N ATOM 1512 CD2 HIS A 114 1.104 -1.220 6.937 1.00 1.57 C ATOM 1513 CE1 HIS A 114 1.037 -3.304 7.602 1.00 1.30 C ATOM 1514 NE2 HIS A 114 0.291 -2.243 7.353 1.00 1.36 N ATOM 0 H HIS A 114 3.417 0.068 4.313 1.00 0.75 H new ATOM 0 HA HIS A 114 5.394 -1.681 5.463 1.00 0.85 H new ATOM 0 HB2 HIS A 114 4.371 -1.124 7.387 1.00 0.89 H new ATOM 0 HB3 HIS A 114 3.487 0.051 6.435 1.00 0.89 H new ATOM 0 HD1 HIS A 114 3.093 -3.625 7.468 1.00 1.39 H new ATOM 0 HD2 HIS A 114 0.788 -0.225 6.661 1.00 1.57 H new ATOM 0 HE1 HIS A 114 0.677 -4.262 7.946 1.00 1.30 H new ATOM 1523 N GLY A 115 2.509 -2.953 4.479 1.00 1.03 N ATOM 1524 CA GLY A 115 1.873 -4.205 4.119 1.00 1.18 C ATOM 1525 C GLY A 115 2.204 -4.655 2.710 1.00 1.20 C ATOM 1526 O GLY A 115 1.760 -5.718 2.277 1.00 1.36 O ATOM 0 H GLY A 115 1.924 -2.125 4.364 1.00 1.03 H new ATOM 0 HA2 GLY A 115 2.181 -4.978 4.823 1.00 1.18 H new ATOM 0 HA3 GLY A 115 0.793 -4.098 4.216 1.00 1.18 H new ATOM 1530 N SER A 116 2.978 -3.852 1.987 1.00 1.17 N ATOM 1531 CA SER A 116 3.346 -4.193 0.619 1.00 1.26 C ATOM 1532 C SER A 116 4.641 -4.997 0.563 1.00 1.36 C ATOM 1533 O SER A 116 4.685 -6.064 -0.043 1.00 1.63 O ATOM 1534 CB SER A 116 3.481 -2.927 -0.227 1.00 1.31 C ATOM 1535 OG SER A 116 4.626 -2.184 0.146 1.00 1.72 O ATOM 0 H SER A 116 3.360 -2.968 2.323 1.00 1.17 H new ATOM 0 HA SER A 116 2.549 -4.816 0.213 1.00 1.26 H new ATOM 0 HB2 SER A 116 3.546 -3.196 -1.281 1.00 1.31 H new ATOM 0 HB3 SER A 116 2.590 -2.311 -0.109 1.00 1.31 H new ATOM 0 HG SER A 116 4.875 -1.578 -0.583 1.00 1.72 H new ATOM 1541 N LEU A 117 5.697 -4.477 1.178 1.00 1.28 N ATOM 1542 CA LEU A 117 6.990 -5.155 1.168 1.00 1.49 C ATOM 1543 C LEU A 117 7.094 -6.211 2.268 1.00 1.69 C ATOM 1544 O LEU A 117 7.793 -7.212 2.111 1.00 1.94 O ATOM 1545 CB LEU A 117 8.119 -4.132 1.318 1.00 1.49 C ATOM 1546 CG LEU A 117 9.521 -4.729 1.435 1.00 1.78 C ATOM 1547 CD1 LEU A 117 10.556 -3.773 0.863 1.00 2.07 C ATOM 1548 CD2 LEU A 117 9.835 -5.056 2.886 1.00 2.38 C ATOM 0 H LEU A 117 5.685 -3.593 1.687 1.00 1.28 H new ATOM 0 HA LEU A 117 7.083 -5.668 0.211 1.00 1.49 H new ATOM 0 HB2 LEU A 117 8.097 -3.461 0.460 1.00 1.49 H new ATOM 0 HB3 LEU A 117 7.924 -3.525 2.202 1.00 1.49 H new ATOM 0 HG LEU A 117 9.556 -5.653 0.858 1.00 1.78 H new ATOM 0 HD11 LEU A 117 11.549 -4.214 0.955 1.00 2.07 H new ATOM 0 HD12 LEU A 117 10.337 -3.587 -0.188 1.00 2.07 H new ATOM 0 HD13 LEU A 117 10.525 -2.832 1.412 1.00 2.07 H new ATOM 0 HD21 LEU A 117 10.837 -5.481 2.955 1.00 2.38 H new ATOM 0 HD22 LEU A 117 9.785 -4.146 3.483 1.00 2.38 H new ATOM 0 HD23 LEU A 117 9.109 -5.777 3.262 1.00 2.38 H new ATOM 1554 N HIS A 118 6.418 -5.974 3.385 1.00 1.70 N ATOM 1555 CA HIS A 118 6.459 -6.900 4.513 1.00 2.04 C ATOM 1556 C HIS A 118 5.669 -8.181 4.238 1.00 2.25 C ATOM 1557 O HIS A 118 5.886 -9.198 4.897 1.00 2.60 O ATOM 1558 CB HIS A 118 5.921 -6.220 5.772 1.00 2.10 C ATOM 1559 CG HIS A 118 6.494 -6.771 7.041 1.00 2.30 C ATOM 1560 ND1 HIS A 118 6.434 -6.103 8.246 1.00 2.63 N ATOM 1561 CD2 HIS A 118 7.142 -7.934 7.289 1.00 2.93 C ATOM 1562 CE1 HIS A 118 7.023 -6.830 9.179 1.00 3.13 C ATOM 1563 NE2 HIS A 118 7.459 -7.946 8.625 1.00 3.28 N ATOM 0 H HIS A 118 5.835 -5.150 3.535 1.00 1.70 H new ATOM 0 HA HIS A 118 7.501 -7.181 4.663 1.00 2.04 H new ATOM 0 HB2 HIS A 118 6.136 -5.153 5.719 1.00 2.10 H new ATOM 0 HB3 HIS A 118 4.836 -6.325 5.797 1.00 2.10 H new ATOM 0 HD2 HIS A 118 7.367 -8.708 6.570 1.00 2.93 H new ATOM 0 HE1 HIS A 118 7.130 -6.557 10.219 1.00 3.13 H new ATOM 0 HE2 HIS A 118 7.952 -8.696 9.111 1.00 3.28 H new ATOM 1572 N LEU A 119 4.747 -8.129 3.282 1.00 2.15 N ATOM 1573 CA LEU A 119 3.930 -9.296 2.959 1.00 2.45 C ATOM 1574 C LEU A 119 4.519 -10.108 1.805 1.00 2.53 C ATOM 1575 O LEU A 119 4.165 -11.274 1.624 1.00 2.98 O ATOM 1576 CB LEU A 119 2.498 -8.869 2.621 1.00 2.52 C ATOM 1577 CG LEU A 119 1.412 -9.488 3.512 1.00 2.47 C ATOM 1578 CD1 LEU A 119 0.515 -8.406 4.096 1.00 3.30 C ATOM 1579 CD2 LEU A 119 0.584 -10.502 2.730 1.00 2.27 C ATOM 0 H LEU A 119 4.547 -7.301 2.722 1.00 2.15 H new ATOM 0 HA LEU A 119 3.918 -9.936 3.842 1.00 2.45 H new ATOM 0 HB2 LEU A 119 2.431 -7.783 2.693 1.00 2.52 H new ATOM 0 HB3 LEU A 119 2.291 -9.133 1.584 1.00 2.52 H new ATOM 0 HG LEU A 119 1.904 -10.008 4.334 1.00 2.47 H new ATOM 0 HD11 LEU A 119 -0.248 -8.866 4.724 1.00 3.30 H new ATOM 0 HD12 LEU A 119 1.114 -7.721 4.696 1.00 3.30 H new ATOM 0 HD13 LEU A 119 0.035 -7.855 3.287 1.00 3.30 H new ATOM 0 HD21 LEU A 119 -0.179 -10.928 3.381 1.00 2.27 H new ATOM 0 HD22 LEU A 119 0.105 -10.007 1.885 1.00 2.27 H new ATOM 0 HD23 LEU A 119 1.233 -11.297 2.364 1.00 2.27 H new ATOM 1585 N LEU A 120 5.407 -9.502 1.018 1.00 2.25 N ATOM 1586 CA LEU A 120 6.007 -10.208 -0.112 1.00 2.47 C ATOM 1587 C LEU A 120 7.516 -9.987 -0.197 1.00 2.57 C ATOM 1588 O LEU A 120 8.282 -10.945 -0.304 1.00 3.07 O ATOM 1589 CB LEU A 120 5.340 -9.773 -1.419 1.00 2.62 C ATOM 1590 CG LEU A 120 5.421 -8.276 -1.724 1.00 2.70 C ATOM 1591 CD1 LEU A 120 6.483 -7.999 -2.777 1.00 3.20 C ATOM 1592 CD2 LEU A 120 4.067 -7.749 -2.177 1.00 2.88 C ATOM 0 H LEU A 120 5.723 -8.540 1.139 1.00 2.25 H new ATOM 0 HA LEU A 120 5.842 -11.274 0.047 1.00 2.47 H new ATOM 0 HB2 LEU A 120 5.799 -10.321 -2.242 1.00 2.62 H new ATOM 0 HB3 LEU A 120 4.290 -10.065 -1.387 1.00 2.62 H new ATOM 0 HG LEU A 120 5.704 -7.755 -0.809 1.00 2.70 H new ATOM 0 HD11 LEU A 120 6.524 -6.929 -2.979 1.00 3.20 H new ATOM 0 HD12 LEU A 120 7.453 -8.337 -2.413 1.00 3.20 H new ATOM 0 HD13 LEU A 120 6.234 -8.532 -3.694 1.00 3.20 H new ATOM 0 HD21 LEU A 120 4.144 -6.683 -2.389 1.00 2.88 H new ATOM 0 HD22 LEU A 120 3.754 -8.277 -3.078 1.00 2.88 H new ATOM 0 HD23 LEU A 120 3.332 -7.910 -1.389 1.00 2.88 H new ATOM 1598 N GLY A 121 7.945 -8.729 -0.160 1.00 2.56 N ATOM 1599 CA GLY A 121 9.363 -8.431 -0.248 1.00 3.27 C ATOM 1600 C GLY A 121 9.801 -8.128 -1.669 1.00 3.49 C ATOM 1601 O GLY A 121 10.523 -8.911 -2.286 1.00 4.12 O ATOM 0 H GLY A 121 7.339 -7.914 -0.071 1.00 2.56 H new ATOM 0 HA2 GLY A 121 9.593 -7.578 0.390 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.934 -9.277 0.133 1.00 3.27 H new ATOM 1605 N TYR A 122 9.353 -6.989 -2.190 1.00 3.41 N ATOM 1606 CA TYR A 122 9.687 -6.571 -3.552 1.00 4.05 C ATOM 1607 C TYR A 122 11.188 -6.655 -3.827 1.00 4.04 C ATOM 1608 O TYR A 122 11.611 -6.715 -4.982 1.00 4.29 O ATOM 1609 CB TYR A 122 9.211 -5.138 -3.797 1.00 4.92 C ATOM 1610 CG TYR A 122 7.723 -4.952 -3.624 1.00 4.99 C ATOM 1611 CD1 TYR A 122 6.831 -5.387 -4.596 1.00 5.29 C ATOM 1612 CD2 TYR A 122 7.209 -4.336 -2.491 1.00 5.07 C ATOM 1613 CE1 TYR A 122 5.469 -5.216 -4.442 1.00 5.72 C ATOM 1614 CE2 TYR A 122 5.850 -4.161 -2.328 1.00 5.49 C ATOM 1615 CZ TYR A 122 4.983 -4.603 -3.305 1.00 5.83 C ATOM 1616 OH TYR A 122 3.627 -4.429 -3.146 1.00 6.50 O ATOM 0 H TYR A 122 8.754 -6.334 -1.687 1.00 3.41 H new ATOM 0 HA TYR A 122 9.178 -7.256 -4.231 1.00 4.05 H new ATOM 0 HB2 TYR A 122 9.733 -4.470 -3.112 1.00 4.92 H new ATOM 0 HB3 TYR A 122 9.490 -4.840 -4.808 1.00 4.92 H new ATOM 0 HD1 TYR A 122 7.209 -5.867 -5.487 1.00 5.29 H new ATOM 0 HD2 TYR A 122 7.885 -3.988 -1.724 1.00 5.07 H new ATOM 0 HE1 TYR A 122 4.788 -5.560 -5.207 1.00 5.72 H new ATOM 0 HE2 TYR A 122 5.467 -3.680 -1.440 1.00 5.49 H new ATOM 0 HH TYR A 122 3.220 -4.224 -4.013 1.00 6.50 H new ATOM 1626 N ASP A 123 11.992 -6.644 -2.769 1.00 4.20 N ATOM 1627 CA ASP A 123 13.446 -6.702 -2.907 1.00 4.65 C ATOM 1628 C ASP A 123 13.938 -8.110 -3.259 1.00 4.02 C ATOM 1629 O ASP A 123 14.945 -8.568 -2.720 1.00 4.67 O ATOM 1630 CB ASP A 123 14.115 -6.225 -1.616 1.00 5.43 C ATOM 1631 CG ASP A 123 15.268 -5.278 -1.881 1.00 6.23 C ATOM 1632 OD1 ASP A 123 16.253 -5.705 -2.519 1.00 6.57 O ATOM 1633 OD2 ASP A 123 15.186 -4.108 -1.450 1.00 6.82 O ATOM 0 H ASP A 123 11.663 -6.595 -1.805 1.00 4.20 H new ATOM 0 HA ASP A 123 13.721 -6.043 -3.730 1.00 4.65 H new ATOM 0 HB2 ASP A 123 13.376 -5.727 -0.989 1.00 5.43 H new ATOM 0 HB3 ASP A 123 14.478 -7.088 -1.057 1.00 5.43 H new ATOM 1638 N HIS A 124 13.242 -8.791 -4.169 1.00 2.97 N ATOM 1639 CA HIS A 124 13.651 -10.133 -4.572 1.00 2.45 C ATOM 1640 C HIS A 124 14.893 -10.065 -5.459 1.00 2.10 C ATOM 1641 O HIS A 124 16.016 -10.155 -4.963 1.00 2.45 O ATOM 1642 CB HIS A 124 12.517 -10.896 -5.280 1.00 2.23 C ATOM 1643 CG HIS A 124 11.577 -10.048 -6.087 1.00 2.36 C ATOM 1644 ND1 HIS A 124 11.542 -10.077 -7.466 1.00 2.46 N ATOM 1645 CD2 HIS A 124 10.619 -9.166 -5.709 1.00 2.98 C ATOM 1646 CE1 HIS A 124 10.606 -9.251 -7.900 1.00 2.83 C ATOM 1647 NE2 HIS A 124 10.032 -8.687 -6.854 1.00 3.06 N ATOM 0 H HIS A 124 12.405 -8.441 -4.634 1.00 2.97 H new ATOM 0 HA HIS A 124 13.893 -10.688 -3.666 1.00 2.45 H new ATOM 0 HB2 HIS A 124 12.960 -11.644 -5.937 1.00 2.23 H new ATOM 0 HB3 HIS A 124 11.940 -11.434 -4.528 1.00 2.23 H new ATOM 0 HD2 HIS A 124 10.365 -8.891 -4.696 1.00 2.98 H new ATOM 0 HE1 HIS A 124 10.354 -9.069 -8.934 1.00 2.83 H new ATOM 0 HE2 HIS A 124 9.274 -8.005 -6.890 1.00 3.06 H new ATOM 1656 N ILE A 125 14.699 -9.889 -6.763 1.00 1.91 N ATOM 1657 CA ILE A 125 15.830 -9.794 -7.681 1.00 2.11 C ATOM 1658 C ILE A 125 16.683 -8.577 -7.338 1.00 2.10 C ATOM 1659 O ILE A 125 16.248 -7.699 -6.594 1.00 1.90 O ATOM 1660 CB ILE A 125 15.382 -9.724 -9.160 1.00 2.32 C ATOM 1661 CG1 ILE A 125 14.698 -8.382 -9.474 1.00 2.52 C ATOM 1662 CG2 ILE A 125 14.466 -10.896 -9.493 1.00 2.86 C ATOM 1663 CD1 ILE A 125 13.274 -8.272 -8.967 1.00 3.27 C ATOM 0 H ILE A 125 13.782 -9.810 -7.204 1.00 1.91 H new ATOM 0 HA ILE A 125 16.420 -10.703 -7.561 1.00 2.11 H new ATOM 0 HB ILE A 125 16.271 -9.792 -9.787 1.00 2.32 H new ATOM 0 HG12 ILE A 125 15.289 -7.576 -9.039 1.00 2.52 H new ATOM 0 HG13 ILE A 125 14.699 -8.231 -10.554 1.00 2.52 H new ATOM 0 HG21 ILE A 125 14.159 -10.833 -10.537 1.00 2.86 H new ATOM 0 HG22 ILE A 125 14.999 -11.833 -9.327 1.00 2.86 H new ATOM 0 HG23 ILE A 125 13.584 -10.862 -8.853 1.00 2.86 H new ATOM 0 HD11 ILE A 125 12.868 -7.295 -9.231 1.00 3.27 H new ATOM 0 HD12 ILE A 125 12.665 -9.053 -9.421 1.00 3.27 H new ATOM 0 HD13 ILE A 125 13.264 -8.388 -7.883 1.00 3.27 H new ATOM 1667 N GLU A 126 17.902 -8.531 -7.864 1.00 2.54 N ATOM 1668 CA GLU A 126 18.802 -7.418 -7.579 1.00 2.75 C ATOM 1669 C GLU A 126 19.115 -6.590 -8.824 1.00 2.70 C ATOM 1670 O GLU A 126 20.029 -5.766 -8.804 1.00 2.83 O ATOM 1671 CB GLU A 126 20.104 -7.942 -6.969 1.00 3.67 C ATOM 1672 CG GLU A 126 20.676 -9.148 -7.697 1.00 4.39 C ATOM 1673 CD GLU A 126 22.192 -9.152 -7.714 1.00 5.41 C ATOM 1674 OE1 GLU A 126 22.779 -8.375 -8.497 1.00 6.01 O ATOM 1675 OE2 GLU A 126 22.792 -9.931 -6.945 1.00 5.87 O ATOM 0 H GLU A 126 18.288 -9.243 -8.484 1.00 2.54 H new ATOM 0 HA GLU A 126 18.293 -6.765 -6.870 1.00 2.75 H new ATOM 0 HB2 GLU A 126 20.844 -7.142 -6.972 1.00 3.67 H new ATOM 0 HB3 GLU A 126 19.926 -8.208 -5.927 1.00 3.67 H new ATOM 0 HG2 GLU A 126 20.319 -10.060 -7.218 1.00 4.39 H new ATOM 0 HG3 GLU A 126 20.305 -9.159 -8.722 1.00 4.39 H new ATOM 1682 N ASP A 127 18.376 -6.809 -9.909 1.00 2.79 N ATOM 1683 CA ASP A 127 18.629 -6.064 -11.139 1.00 3.14 C ATOM 1684 C ASP A 127 17.829 -4.760 -11.207 1.00 2.88 C ATOM 1685 O ASP A 127 18.397 -3.673 -11.103 1.00 3.08 O ATOM 1686 CB ASP A 127 18.301 -6.932 -12.355 1.00 3.66 C ATOM 1687 CG ASP A 127 19.285 -8.070 -12.535 1.00 4.67 C ATOM 1688 OD1 ASP A 127 19.333 -8.959 -11.659 1.00 5.15 O ATOM 1689 OD2 ASP A 127 20.010 -8.073 -13.553 1.00 5.29 O ATOM 0 H ASP A 127 17.612 -7.482 -9.963 1.00 2.79 H new ATOM 0 HA ASP A 127 19.687 -5.801 -11.143 1.00 3.14 H new ATOM 0 HB2 ASP A 127 17.295 -7.339 -12.247 1.00 3.66 H new ATOM 0 HB3 ASP A 127 18.300 -6.311 -13.251 1.00 3.66 H new ATOM 1694 N ASP A 128 16.516 -4.872 -11.398 1.00 2.70 N ATOM 1695 CA ASP A 128 15.656 -3.692 -11.498 1.00 2.87 C ATOM 1696 C ASP A 128 14.942 -3.366 -10.185 1.00 2.37 C ATOM 1697 O ASP A 128 15.305 -2.421 -9.485 1.00 2.51 O ATOM 1698 CB ASP A 128 14.631 -3.872 -12.619 1.00 3.34 C ATOM 1699 CG ASP A 128 13.878 -2.592 -12.924 1.00 3.82 C ATOM 1700 OD1 ASP A 128 14.535 -1.580 -13.246 1.00 4.30 O ATOM 1701 OD2 ASP A 128 12.632 -2.601 -12.839 1.00 4.15 O ATOM 0 H ASP A 128 16.025 -5.762 -11.486 1.00 2.70 H new ATOM 0 HA ASP A 128 16.307 -2.849 -11.728 1.00 2.87 H new ATOM 0 HB2 ASP A 128 15.139 -4.215 -13.520 1.00 3.34 H new ATOM 0 HB3 ASP A 128 13.921 -4.650 -12.337 1.00 3.34 H new ATOM 1706 N GLU A 129 13.900 -4.140 -9.887 1.00 2.02 N ATOM 1707 CA GLU A 129 13.082 -3.941 -8.690 1.00 1.94 C ATOM 1708 C GLU A 129 13.909 -3.575 -7.460 1.00 1.62 C ATOM 1709 O GLU A 129 13.520 -2.705 -6.686 1.00 1.65 O ATOM 1710 CB GLU A 129 12.259 -5.197 -8.400 1.00 2.14 C ATOM 1711 CG GLU A 129 11.011 -4.927 -7.575 1.00 3.04 C ATOM 1712 CD GLU A 129 9.857 -4.412 -8.412 1.00 4.10 C ATOM 1713 OE1 GLU A 129 9.915 -4.549 -9.652 1.00 4.72 O ATOM 1714 OE2 GLU A 129 8.894 -3.872 -7.828 1.00 4.68 O ATOM 0 H GLU A 129 13.598 -4.923 -10.468 1.00 2.02 H new ATOM 0 HA GLU A 129 12.422 -3.099 -8.898 1.00 1.94 H new ATOM 0 HB2 GLU A 129 11.968 -5.657 -9.344 1.00 2.14 H new ATOM 0 HB3 GLU A 129 12.884 -5.918 -7.873 1.00 2.14 H new ATOM 0 HG2 GLU A 129 10.708 -5.845 -7.071 1.00 3.04 H new ATOM 0 HG3 GLU A 129 11.244 -4.199 -6.798 1.00 3.04 H new ATOM 1721 N ALA A 130 15.039 -4.242 -7.271 1.00 1.57 N ATOM 1722 CA ALA A 130 15.889 -3.968 -6.117 1.00 1.56 C ATOM 1723 C ALA A 130 16.183 -2.476 -5.978 1.00 1.41 C ATOM 1724 O ALA A 130 15.617 -1.800 -5.118 1.00 1.33 O ATOM 1725 CB ALA A 130 17.181 -4.762 -6.213 1.00 1.92 C ATOM 0 H ALA A 130 15.388 -4.970 -7.894 1.00 1.57 H new ATOM 0 HA ALA A 130 15.350 -4.281 -5.223 1.00 1.56 H new ATOM 0 HB1 ALA A 130 17.805 -4.548 -5.345 1.00 1.92 H new ATOM 0 HB2 ALA A 130 16.952 -5.827 -6.241 1.00 1.92 H new ATOM 0 HB3 ALA A 130 17.714 -4.481 -7.122 1.00 1.92 H new ATOM 1731 N GLU A 131 17.070 -1.968 -6.827 1.00 1.46 N ATOM 1732 CA GLU A 131 17.435 -0.555 -6.793 1.00 1.46 C ATOM 1733 C GLU A 131 16.214 0.334 -7.011 1.00 1.38 C ATOM 1734 O GLU A 131 15.992 1.296 -6.273 1.00 1.37 O ATOM 1735 CB GLU A 131 18.496 -0.256 -7.855 1.00 1.66 C ATOM 1736 CG GLU A 131 19.607 0.657 -7.364 1.00 1.92 C ATOM 1737 CD GLU A 131 19.955 1.742 -8.364 1.00 2.55 C ATOM 1738 OE1 GLU A 131 19.081 2.587 -8.651 1.00 2.84 O ATOM 1739 OE2 GLU A 131 21.101 1.749 -8.859 1.00 3.30 O ATOM 0 H GLU A 131 17.549 -2.511 -7.545 1.00 1.46 H new ATOM 0 HA GLU A 131 17.844 -0.337 -5.807 1.00 1.46 H new ATOM 0 HB2 GLU A 131 18.932 -1.195 -8.195 1.00 1.66 H new ATOM 0 HB3 GLU A 131 18.015 0.203 -8.718 1.00 1.66 H new ATOM 0 HG2 GLU A 131 19.304 1.118 -6.424 1.00 1.92 H new ATOM 0 HG3 GLU A 131 20.496 0.062 -7.155 1.00 1.92 H new ATOM 1746 N GLU A 132 15.426 0.007 -8.030 1.00 1.44 N ATOM 1747 CA GLU A 132 14.228 0.774 -8.355 1.00 1.53 C ATOM 1748 C GLU A 132 13.300 0.889 -7.148 1.00 1.29 C ATOM 1749 O GLU A 132 12.975 1.992 -6.707 1.00 1.22 O ATOM 1750 CB GLU A 132 13.484 0.126 -9.525 1.00 1.86 C ATOM 1751 CG GLU A 132 12.881 1.130 -10.492 1.00 2.46 C ATOM 1752 CD GLU A 132 12.533 0.513 -11.832 1.00 2.96 C ATOM 1753 OE1 GLU A 132 11.775 -0.479 -11.852 1.00 3.37 O ATOM 1754 OE2 GLU A 132 13.020 1.024 -12.864 1.00 3.44 O ATOM 0 H GLU A 132 15.596 -0.787 -8.647 1.00 1.44 H new ATOM 0 HA GLU A 132 14.542 1.778 -8.641 1.00 1.53 H new ATOM 0 HB2 GLU A 132 14.172 -0.521 -10.069 1.00 1.86 H new ATOM 0 HB3 GLU A 132 12.690 -0.510 -9.133 1.00 1.86 H new ATOM 0 HG2 GLU A 132 11.982 1.560 -10.050 1.00 2.46 H new ATOM 0 HG3 GLU A 132 13.584 1.949 -10.645 1.00 2.46 H new ATOM 1761 N MET A 133 12.877 -0.254 -6.617 1.00 1.28 N ATOM 1762 CA MET A 133 11.989 -0.271 -5.461 1.00 1.23 C ATOM 1763 C MET A 133 12.668 0.361 -4.253 1.00 0.98 C ATOM 1764 O MET A 133 12.029 1.052 -3.460 1.00 0.92 O ATOM 1765 CB MET A 133 11.562 -1.704 -5.134 1.00 1.53 C ATOM 1766 CG MET A 133 10.285 -1.788 -4.313 1.00 1.39 C ATOM 1767 SD MET A 133 8.882 -0.993 -5.117 1.00 2.20 S ATOM 1768 CE MET A 133 8.182 -0.084 -3.742 1.00 2.47 C ATOM 0 H MET A 133 13.134 -1.177 -6.967 1.00 1.28 H new ATOM 0 HA MET A 133 11.101 0.312 -5.706 1.00 1.23 H new ATOM 0 HB2 MET A 133 11.422 -2.254 -6.065 1.00 1.53 H new ATOM 0 HB3 MET A 133 12.367 -2.198 -4.590 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.046 -2.835 -4.128 1.00 1.39 H new ATOM 0 HG3 MET A 133 10.452 -1.323 -3.341 1.00 1.39 H new ATOM 0 HE1 MET A 133 7.272 0.421 -4.065 1.00 2.47 H new ATOM 0 HE2 MET A 133 7.946 -0.774 -2.932 1.00 2.47 H new ATOM 0 HE3 MET A 133 8.902 0.656 -3.391 1.00 2.47 H new ATOM 1778 N GLU A 134 13.971 0.129 -4.125 1.00 1.00 N ATOM 1779 CA GLU A 134 14.737 0.687 -3.018 1.00 0.98 C ATOM 1780 C GLU A 134 14.672 2.209 -3.043 1.00 0.85 C ATOM 1781 O GLU A 134 14.173 2.838 -2.108 1.00 0.92 O ATOM 1782 CB GLU A 134 16.192 0.222 -3.090 1.00 1.17 C ATOM 1783 CG GLU A 134 16.467 -1.042 -2.291 1.00 1.00 C ATOM 1784 CD GLU A 134 17.543 -0.848 -1.240 1.00 1.57 C ATOM 1785 OE1 GLU A 134 17.255 -0.211 -0.206 1.00 2.11 O ATOM 1786 OE2 GLU A 134 18.675 -1.332 -1.453 1.00 2.40 O ATOM 0 H GLU A 134 14.516 -0.440 -4.773 1.00 1.00 H new ATOM 0 HA GLU A 134 14.302 0.333 -2.083 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.458 0.048 -4.133 1.00 1.17 H new ATOM 0 HB3 GLU A 134 16.838 1.020 -2.725 1.00 1.17 H new ATOM 0 HG2 GLU A 134 15.547 -1.368 -1.807 1.00 1.00 H new ATOM 0 HG3 GLU A 134 16.769 -1.838 -2.971 1.00 1.00 H new ATOM 1793 N SER A 135 15.170 2.797 -4.127 1.00 0.80 N ATOM 1794 CA SER A 135 15.160 4.247 -4.281 1.00 0.84 C ATOM 1795 C SER A 135 13.730 4.776 -4.265 1.00 0.80 C ATOM 1796 O SER A 135 13.430 5.772 -3.605 1.00 0.82 O ATOM 1797 CB SER A 135 15.850 4.649 -5.585 1.00 0.97 C ATOM 1798 OG SER A 135 16.571 5.859 -5.429 1.00 1.29 O ATOM 0 H SER A 135 15.585 2.292 -4.910 1.00 0.80 H new ATOM 0 HA SER A 135 15.705 4.684 -3.444 1.00 0.84 H new ATOM 0 HB2 SER A 135 16.528 3.856 -5.901 1.00 0.97 H new ATOM 0 HB3 SER A 135 15.106 4.764 -6.373 1.00 0.97 H new ATOM 0 HG SER A 135 17.004 6.093 -6.276 1.00 1.29 H new ATOM 1804 N LEU A 136 12.849 4.097 -4.997 1.00 0.81 N ATOM 1805 CA LEU A 136 11.449 4.494 -5.069 1.00 0.87 C ATOM 1806 C LEU A 136 10.829 4.546 -3.676 1.00 0.73 C ATOM 1807 O LEU A 136 10.364 5.597 -3.234 1.00 0.85 O ATOM 1808 CB LEU A 136 10.668 3.518 -5.957 1.00 0.98 C ATOM 1809 CG LEU A 136 9.147 3.712 -5.978 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.504 3.020 -4.785 1.00 1.17 C ATOM 1811 CD2 LEU A 136 8.792 5.192 -5.995 1.00 1.73 C ATOM 0 H LEU A 136 13.082 3.270 -5.547 1.00 0.81 H new ATOM 0 HA LEU A 136 11.398 5.491 -5.506 1.00 0.87 H new ATOM 0 HB2 LEU A 136 11.041 3.605 -6.977 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.882 2.502 -5.625 1.00 0.98 H new ATOM 0 HG LEU A 136 8.757 3.259 -6.890 1.00 1.16 H new ATOM 0 HD11 LEU A 136 7.425 3.168 -4.817 1.00 1.17 H new ATOM 0 HD12 LEU A 136 8.725 1.953 -4.821 1.00 1.17 H new ATOM 0 HD13 LEU A 136 8.901 3.442 -3.862 1.00 1.17 H new ATOM 0 HD21 LEU A 136 7.708 5.306 -6.010 1.00 1.73 H new ATOM 0 HD22 LEU A 136 9.195 5.673 -5.104 1.00 1.73 H new ATOM 0 HD23 LEU A 136 9.218 5.658 -6.883 1.00 1.73 H new ATOM 1817 N GLU A 137 10.830 3.408 -2.986 1.00 0.57 N ATOM 1818 CA GLU A 137 10.271 3.332 -1.641 1.00 0.51 C ATOM 1819 C GLU A 137 10.977 4.306 -0.710 1.00 0.52 C ATOM 1820 O GLU A 137 10.342 4.967 0.114 1.00 0.53 O ATOM 1821 CB GLU A 137 10.390 1.910 -1.091 1.00 0.52 C ATOM 1822 CG GLU A 137 9.790 1.741 0.296 1.00 1.16 C ATOM 1823 CD GLU A 137 9.888 0.317 0.805 1.00 1.87 C ATOM 1824 OE1 GLU A 137 9.343 -0.589 0.141 1.00 2.45 O ATOM 1825 OE2 GLU A 137 10.509 0.108 1.868 1.00 2.54 O ATOM 0 H GLU A 137 11.211 2.529 -3.336 1.00 0.57 H new ATOM 0 HA GLU A 137 9.217 3.603 -1.697 1.00 0.51 H new ATOM 0 HB2 GLU A 137 9.897 1.222 -1.777 1.00 0.52 H new ATOM 0 HB3 GLU A 137 11.443 1.629 -1.059 1.00 0.52 H new ATOM 0 HG2 GLU A 137 10.300 2.407 0.992 1.00 1.16 H new ATOM 0 HG3 GLU A 137 8.743 2.044 0.274 1.00 1.16 H new ATOM 1832 N THR A 138 12.293 4.389 -0.845 1.00 0.57 N ATOM 1833 CA THR A 138 13.085 5.283 -0.018 1.00 0.67 C ATOM 1834 C THR A 138 12.678 6.737 -0.247 1.00 0.69 C ATOM 1835 O THR A 138 12.731 7.556 0.669 1.00 0.77 O ATOM 1836 CB THR A 138 14.573 5.099 -0.317 1.00 0.82 C ATOM 1837 OG1 THR A 138 14.996 3.792 0.030 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.455 6.078 0.424 1.00 1.10 C ATOM 0 H THR A 138 12.833 3.847 -1.520 1.00 0.57 H new ATOM 0 HA THR A 138 12.900 5.036 1.027 1.00 0.67 H new ATOM 0 HB THR A 138 14.678 5.277 -1.387 1.00 0.82 H new ATOM 0 HG1 THR A 138 14.997 3.225 -0.770 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.498 5.894 0.168 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.186 7.096 0.141 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.317 5.951 1.498 1.00 1.10 H new ATOM 1843 N GLN A 139 12.278 7.053 -1.476 1.00 0.70 N ATOM 1844 CA GLN A 139 11.872 8.412 -1.814 1.00 0.79 C ATOM 1845 C GLN A 139 10.474 8.724 -1.285 1.00 0.67 C ATOM 1846 O GLN A 139 10.202 9.846 -0.862 1.00 0.67 O ATOM 1847 CB GLN A 139 11.919 8.627 -3.327 1.00 0.92 C ATOM 1848 CG GLN A 139 11.714 10.077 -3.736 1.00 1.04 C ATOM 1849 CD GLN A 139 12.085 10.337 -5.182 1.00 1.29 C ATOM 1850 OE1 GLN A 139 12.676 9.486 -5.846 1.00 2.28 O ATOM 1851 NE2 GLN A 139 11.740 11.521 -5.678 1.00 1.28 N ATOM 0 H GLN A 139 12.227 6.390 -2.249 1.00 0.70 H new ATOM 0 HA GLN A 139 12.576 9.094 -1.336 1.00 0.79 H new ATOM 0 HB2 GLN A 139 12.881 8.283 -3.706 1.00 0.92 H new ATOM 0 HB3 GLN A 139 11.152 8.012 -3.798 1.00 0.92 H new ATOM 0 HG2 GLN A 139 10.671 10.350 -3.579 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.313 10.720 -3.091 1.00 1.04 H new ATOM 0 HE21 GLN A 139 11.251 12.197 -5.091 1.00 1.28 H new ATOM 0 HE22 GLN A 139 11.965 11.754 -6.645 1.00 1.28 H new ATOM 1858 N ILE A 140 9.589 7.730 -1.307 1.00 0.60 N ATOM 1859 CA ILE A 140 8.225 7.925 -0.820 1.00 0.52 C ATOM 1860 C ILE A 140 8.194 7.898 0.704 1.00 0.47 C ATOM 1861 O ILE A 140 7.425 8.625 1.335 1.00 0.48 O ATOM 1862 CB ILE A 140 7.236 6.858 -1.353 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.762 6.199 -2.639 1.00 0.57 C ATOM 1864 CG2 ILE A 140 5.866 7.487 -1.582 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.676 5.744 -3.596 1.00 1.12 C ATOM 0 H ILE A 140 9.788 6.791 -1.653 1.00 0.60 H new ATOM 0 HA ILE A 140 7.907 8.898 -1.194 1.00 0.52 H new ATOM 0 HB ILE A 140 7.140 6.073 -0.603 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.413 6.905 -3.155 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.375 5.339 -2.368 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.176 6.731 -1.957 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.488 7.889 -0.642 1.00 0.52 H new ATOM 0 HG23 ILE A 140 5.953 8.292 -2.312 1.00 0.52 H new ATOM 0 HD11 ILE A 140 7.133 5.291 -4.476 1.00 1.12 H new ATOM 0 HD12 ILE A 140 6.038 5.012 -3.101 1.00 1.12 H new ATOM 0 HD13 ILE A 140 6.076 6.602 -3.900 1.00 1.12 H new ATOM 1869 N MET A 141 9.028 7.045 1.285 1.00 0.47 N ATOM 1870 CA MET A 141 9.100 6.904 2.734 1.00 0.51 C ATOM 1871 C MET A 141 10.047 7.929 3.355 1.00 0.62 C ATOM 1872 O MET A 141 9.637 8.745 4.180 1.00 0.71 O ATOM 1873 CB MET A 141 9.546 5.488 3.095 1.00 0.51 C ATOM 1874 CG MET A 141 8.692 4.407 2.451 1.00 0.53 C ATOM 1875 SD MET A 141 7.187 4.058 3.377 1.00 1.02 S ATOM 1876 CE MET A 141 6.201 5.503 2.984 1.00 0.44 C ATOM 0 H MET A 141 9.667 6.438 0.772 1.00 0.47 H new ATOM 0 HA MET A 141 8.105 7.087 3.139 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.583 5.352 2.789 1.00 0.51 H new ATOM 0 HB3 MET A 141 9.514 5.369 4.178 1.00 0.51 H new ATOM 0 HG2 MET A 141 8.427 4.715 1.440 1.00 0.53 H new ATOM 0 HG3 MET A 141 9.278 3.492 2.362 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.852 5.967 3.906 1.00 0.44 H new ATOM 0 HE2 MET A 141 6.807 6.217 2.426 1.00 0.44 H new ATOM 0 HE3 MET A 141 5.344 5.205 2.380 1.00 0.44 H new ATOM 1886 N GLN A 142 11.316 7.876 2.961 1.00 0.66 N ATOM 1887 CA GLN A 142 12.319 8.795 3.490 1.00 0.79 C ATOM 1888 C GLN A 142 12.061 10.227 3.027 1.00 0.80 C ATOM 1889 O GLN A 142 12.449 11.183 3.697 1.00 0.85 O ATOM 1890 CB GLN A 142 13.721 8.356 3.062 1.00 0.90 C ATOM 1891 CG GLN A 142 14.810 8.752 4.044 1.00 1.34 C ATOM 1892 CD GLN A 142 15.785 7.625 4.322 1.00 1.47 C ATOM 1893 OE1 GLN A 142 15.701 6.954 5.351 1.00 1.64 O ATOM 1894 NE2 GLN A 142 16.718 7.410 3.401 1.00 1.85 N ATOM 0 H GLN A 142 11.674 7.208 2.279 1.00 0.66 H new ATOM 0 HA GLN A 142 12.250 8.770 4.578 1.00 0.79 H new ATOM 0 HB2 GLN A 142 13.731 7.273 2.939 1.00 0.90 H new ATOM 0 HB3 GLN A 142 13.947 8.790 2.088 1.00 0.90 H new ATOM 0 HG2 GLN A 142 15.355 9.609 3.649 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.351 9.069 4.980 1.00 1.34 H new ATOM 0 HE21 GLN A 142 16.751 7.990 2.563 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.402 6.664 3.532 1.00 1.85 H new ATOM 1901 N GLY A 143 11.408 10.369 1.878 1.00 0.79 N ATOM 1902 CA GLY A 143 11.116 11.690 1.351 1.00 0.84 C ATOM 1903 C GLY A 143 10.313 12.543 2.314 1.00 0.81 C ATOM 1904 O GLY A 143 10.383 13.772 2.270 1.00 1.05 O ATOM 0 H GLY A 143 11.076 9.595 1.303 1.00 0.79 H new ATOM 0 HA2 GLY A 143 12.052 12.198 1.117 1.00 0.84 H new ATOM 0 HA3 GLY A 143 10.565 11.589 0.416 1.00 0.84 H new ATOM 1908 N LEU A 144 9.545 11.894 3.183 1.00 0.75 N ATOM 1909 CA LEU A 144 8.724 12.609 4.154 1.00 0.72 C ATOM 1910 C LEU A 144 9.422 12.701 5.507 1.00 0.87 C ATOM 1911 O LEU A 144 9.430 13.755 6.142 1.00 1.01 O ATOM 1912 CB LEU A 144 7.365 11.922 4.318 1.00 0.62 C ATOM 1913 CG LEU A 144 6.784 11.293 3.048 1.00 0.66 C ATOM 1914 CD1 LEU A 144 5.300 11.011 3.227 1.00 0.58 C ATOM 1915 CD2 LEU A 144 7.011 12.195 1.842 1.00 0.81 C ATOM 0 H LEU A 144 9.474 10.878 3.235 1.00 0.75 H new ATOM 0 HA LEU A 144 8.571 13.620 3.776 1.00 0.72 H new ATOM 0 HB2 LEU A 144 7.460 11.145 5.076 1.00 0.62 H new ATOM 0 HB3 LEU A 144 6.652 12.653 4.699 1.00 0.62 H new ATOM 0 HG LEU A 144 7.300 10.350 2.869 1.00 0.66 H new ATOM 0 HD11 LEU A 144 4.902 10.564 2.316 1.00 0.58 H new ATOM 0 HD12 LEU A 144 5.158 10.323 4.060 1.00 0.58 H new ATOM 0 HD13 LEU A 144 4.775 11.944 3.433 1.00 0.58 H new ATOM 0 HD21 LEU A 144 6.590 11.726 0.953 1.00 0.81 H new ATOM 0 HD22 LEU A 144 6.526 13.156 2.010 1.00 0.81 H new ATOM 0 HD23 LEU A 144 8.081 12.349 1.699 1.00 0.81 H new ATOM 1921 N GLY A 145 10.001 11.590 5.943 1.00 0.91 N ATOM 1922 CA GLY A 145 10.688 11.565 7.221 1.00 1.11 C ATOM 1923 C GLY A 145 9.731 11.404 8.384 1.00 1.11 C ATOM 1924 O GLY A 145 9.486 12.350 9.132 1.00 1.24 O ATOM 0 H GLY A 145 10.008 10.705 5.435 1.00 0.91 H new ATOM 0 HA2 GLY A 145 11.407 10.746 7.229 1.00 1.11 H new ATOM 0 HA3 GLY A 145 11.255 12.488 7.345 1.00 1.11 H new ATOM 1928 N PHE A 146 9.185 10.200 8.535 1.00 1.15 N ATOM 1929 CA PHE A 146 8.245 9.913 9.612 1.00 1.25 C ATOM 1930 C PHE A 146 8.884 9.016 10.667 1.00 1.47 C ATOM 1931 O PHE A 146 8.825 9.316 11.857 1.00 99.99 O ATOM 1932 CB PHE A 146 6.980 9.248 9.060 1.00 1.63 C ATOM 1933 CG PHE A 146 7.231 8.360 7.876 1.00 1.09 C ATOM 1934 CD1 PHE A 146 8.143 7.320 7.956 1.00 1.15 C ATOM 1935 CD2 PHE A 146 6.560 8.569 6.684 1.00 1.74 C ATOM 1936 CE1 PHE A 146 8.379 6.505 6.867 1.00 1.15 C ATOM 1937 CE2 PHE A 146 6.793 7.758 5.593 1.00 1.65 C ATOM 1938 CZ PHE A 146 7.702 6.724 5.685 1.00 0.93 C ATOM 0 H PHE A 146 9.379 9.407 7.923 1.00 1.15 H new ATOM 0 HA PHE A 146 7.972 10.859 10.079 1.00 1.25 H new ATOM 0 HB2 PHE A 146 6.515 8.660 9.851 1.00 1.63 H new ATOM 0 HB3 PHE A 146 6.267 10.023 8.777 1.00 1.63 H new ATOM 0 HD1 PHE A 146 8.675 7.145 8.880 1.00 1.15 H new ATOM 0 HD2 PHE A 146 5.846 9.376 6.607 1.00 1.74 H new ATOM 0 HE1 PHE A 146 9.092 5.697 6.940 1.00 1.15 H new ATOM 0 HE2 PHE A 146 6.264 7.932 4.667 1.00 1.65 H new ATOM 0 HZ PHE A 146 7.883 6.087 4.832 1.00 0.93 H new