USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=24 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 -156:sc= -6.16! (180deg=-8.45!) USER MOD Set 1.2: A 114 HIS : no HD1:sc= -1.47 K(o=-7.6,f=-9.6) USER MOD Set 2.1: A 100 GLN : amide:sc= 0.774 K(o=1.2,f=-3.4) USER MOD Set 2.2: A 102 LYS NZ :NH3+ -128:sc= 0.432 (180deg=0) USER MOD Set 3.1: A 23 GLN : amide:sc= -1.91 X(o=-3.5,f=-3.4) USER MOD Set 3.2: A 105 MET CE :methyl -114:sc= -1.6 (180deg=-1.99!) USER MOD Single : A 3 SER OG : rot 39:sc= 0.0358 USER MOD Single : A 9 GLN : amide:sc= -0.668 K(o=-0.67,f=-0.09) USER MOD Single : A 12 THR OG1 : rot -140:sc= -1.82 USER MOD Single : A 14 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.3!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 29 THR OG1 : rot -110:sc= -0.477 USER MOD Single : A 33 GLN : amide:sc= -6.2! C(o=-6.2!,f=-5!) USER MOD Single : A 37 ASN : amide:sc= 0.883 K(o=0.88,f=-6.3!) USER MOD Single : A 41 MET CE :methyl -128:sc= -2.68! (180deg=-4.25!) USER MOD Single : A 42 THR OG1 : rot 80:sc= 1.02 USER MOD Single : A 51 SER OG : rot -69:sc= -2.73! USER MOD Single : A 52 HIS : no HD1:sc= -7.28! C(o=-7.3!,f=-13!) USER MOD Single : A 55 ASN : amide:sc= -10.9! C(o=-11!,f=-20!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -27:sc= 1.32 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 63:sc= 0.136 USER MOD Single : A 66 ASN : amide:sc= -3.08! C(o=-3.1!,f=-3.9!) USER MOD Single : A 69 SER OG : rot 170:sc= 0 USER MOD Single : A 74 CYS SG : rot 42:sc= -0.0445 USER MOD Single : A 89 CYS SG : rot 180:sc= -2.14 USER MOD Single : A 91 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.21) USER MOD Single : A 98 SER OG : rot -13:sc= 0.136 USER MOD Single : A 107 HIS : no HE2:sc= -4.44! C(o=-4.4!,f=-6.2!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 140:sc= -1.72 USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= -2.37 X(o=-2.4,f=-2.8!) USER MOD Single : A 133 MET CE :methyl 148:sc= -3.23! (180deg=-4.25!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 85:sc= 0.0496 USER MOD Single : A 139 GLN : amide:sc= 0.228 X(o=0.23,f=0) USER MOD Single : A 141 MET CE :methyl -172:sc= -5.91! (180deg=-6.15) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 3.710 7.340 -14.208 1.00 1.94 N ATOM 2 CA SER A 3 2.847 6.842 -13.104 1.00 1.63 C ATOM 3 C SER A 3 3.679 6.182 -12.009 1.00 1.31 C ATOM 4 O SER A 3 4.238 5.096 -12.202 1.00 1.66 O ATOM 5 CB SER A 3 1.843 5.838 -13.676 1.00 1.81 C ATOM 6 OG SER A 3 0.982 6.456 -14.617 1.00 2.13 O ATOM 0 HA SER A 3 2.321 7.686 -12.658 1.00 1.63 H new ATOM 0 HB2 SER A 3 2.377 5.016 -14.153 1.00 1.81 H new ATOM 0 HB3 SER A 3 1.253 5.408 -12.867 1.00 1.81 H new ATOM 0 HG SER A 3 1.491 7.099 -15.153 1.00 2.13 H new ATOM 12 N VAL A 4 3.759 6.842 -10.856 1.00 1.30 N ATOM 13 CA VAL A 4 4.523 6.310 -9.740 1.00 1.06 C ATOM 14 C VAL A 4 3.710 5.294 -8.950 1.00 0.93 C ATOM 15 O VAL A 4 2.570 5.545 -8.564 1.00 1.44 O ATOM 16 CB VAL A 4 5.041 7.419 -8.796 1.00 1.68 C ATOM 17 CG1 VAL A 4 3.950 8.429 -8.480 1.00 1.82 C ATOM 18 CG2 VAL A 4 5.607 6.815 -7.516 1.00 2.29 C ATOM 0 H VAL A 4 3.307 7.738 -10.675 1.00 1.30 H new ATOM 0 HA VAL A 4 5.390 5.812 -10.173 1.00 1.06 H new ATOM 0 HB VAL A 4 5.843 7.948 -9.310 1.00 1.68 H new ATOM 0 HG11 VAL A 4 4.346 9.196 -7.814 1.00 1.82 H new ATOM 0 HG12 VAL A 4 3.605 8.893 -9.404 1.00 1.82 H new ATOM 0 HG13 VAL A 4 3.115 7.923 -7.995 1.00 1.82 H new ATOM 0 HG21 VAL A 4 5.966 7.612 -6.865 1.00 2.29 H new ATOM 0 HG22 VAL A 4 4.827 6.252 -7.003 1.00 2.29 H new ATOM 0 HG23 VAL A 4 6.433 6.148 -7.763 1.00 2.29 H new ATOM 22 N LEU A 5 4.321 4.136 -8.757 1.00 0.94 N ATOM 23 CA LEU A 5 3.717 3.010 -8.058 1.00 1.34 C ATOM 24 C LEU A 5 2.907 3.379 -6.822 1.00 1.09 C ATOM 25 O LEU A 5 3.345 3.146 -5.705 1.00 1.34 O ATOM 26 CB LEU A 5 4.783 1.973 -7.675 1.00 2.05 C ATOM 27 CG LEU A 5 6.013 2.504 -6.924 1.00 2.97 C ATOM 28 CD1 LEU A 5 6.816 1.346 -6.355 1.00 3.92 C ATOM 29 CD2 LEU A 5 6.898 3.353 -7.828 1.00 3.33 C ATOM 0 H LEU A 5 5.268 3.948 -9.087 1.00 0.94 H new ATOM 0 HA LEU A 5 3.008 2.592 -8.772 1.00 1.34 H new ATOM 0 HB2 LEU A 5 4.310 1.208 -7.059 1.00 2.05 H new ATOM 0 HB3 LEU A 5 5.125 1.482 -8.586 1.00 2.05 H new ATOM 0 HG LEU A 5 5.659 3.137 -6.110 1.00 2.97 H new ATOM 0 HD11 LEU A 5 7.686 1.733 -5.824 1.00 3.92 H new ATOM 0 HD12 LEU A 5 6.194 0.776 -5.665 1.00 3.92 H new ATOM 0 HD13 LEU A 5 7.145 0.698 -7.167 1.00 3.92 H new ATOM 0 HD21 LEU A 5 7.758 3.711 -7.263 1.00 3.33 H new ATOM 0 HD22 LEU A 5 7.242 2.751 -8.669 1.00 3.33 H new ATOM 0 HD23 LEU A 5 6.328 4.204 -8.200 1.00 3.33 H new ATOM 35 N VAL A 6 1.694 3.886 -7.022 1.00 0.88 N ATOM 36 CA VAL A 6 0.821 4.209 -5.903 1.00 0.75 C ATOM 37 C VAL A 6 -0.648 4.020 -6.264 1.00 0.75 C ATOM 38 O VAL A 6 -1.065 4.305 -7.387 1.00 1.03 O ATOM 39 CB VAL A 6 1.029 5.647 -5.414 1.00 0.94 C ATOM 40 CG1 VAL A 6 0.685 6.634 -6.516 1.00 1.26 C ATOM 41 CG2 VAL A 6 0.201 5.905 -4.164 1.00 1.02 C ATOM 0 H VAL A 6 1.297 4.080 -7.941 1.00 0.88 H new ATOM 0 HA VAL A 6 1.087 3.519 -5.103 1.00 0.75 H new ATOM 0 HB VAL A 6 2.079 5.784 -5.156 1.00 0.94 H new ATOM 0 HG11 VAL A 6 0.837 7.651 -6.154 1.00 1.26 H new ATOM 0 HG12 VAL A 6 1.328 6.455 -7.378 1.00 1.26 H new ATOM 0 HG13 VAL A 6 -0.357 6.505 -6.808 1.00 1.26 H new ATOM 0 HG21 VAL A 6 0.359 6.930 -3.828 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -0.855 5.756 -4.390 1.00 1.02 H new ATOM 0 HG23 VAL A 6 0.505 5.215 -3.377 1.00 1.02 H new ATOM 45 N ASP A 7 -1.430 3.556 -5.297 1.00 0.72 N ATOM 46 CA ASP A 7 -2.857 3.349 -5.500 1.00 0.83 C ATOM 47 C ASP A 7 -3.531 2.976 -4.186 1.00 0.75 C ATOM 48 O ASP A 7 -3.090 2.062 -3.491 1.00 0.99 O ATOM 49 CB ASP A 7 -3.098 2.261 -6.550 1.00 1.02 C ATOM 50 CG ASP A 7 -3.692 2.814 -7.830 1.00 1.78 C ATOM 51 OD1 ASP A 7 -4.519 3.746 -7.747 1.00 2.52 O ATOM 52 OD2 ASP A 7 -3.330 2.314 -8.916 1.00 2.33 O ATOM 0 H ASP A 7 -1.098 3.316 -4.363 1.00 0.72 H new ATOM 0 HA ASP A 7 -3.292 4.280 -5.862 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -2.155 1.763 -6.776 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -3.767 1.505 -6.139 1.00 1.02 H new ATOM 57 N LEU A 8 -4.597 3.691 -3.843 1.00 0.63 N ATOM 58 CA LEU A 8 -5.320 3.427 -2.605 1.00 0.74 C ATOM 59 C LEU A 8 -6.819 3.337 -2.858 1.00 0.59 C ATOM 60 O LEU A 8 -7.367 4.068 -3.683 1.00 0.79 O ATOM 61 CB LEU A 8 -5.027 4.513 -1.568 1.00 1.20 C ATOM 62 CG LEU A 8 -5.038 5.946 -2.102 1.00 0.83 C ATOM 63 CD1 LEU A 8 -6.418 6.566 -1.940 1.00 1.78 C ATOM 64 CD2 LEU A 8 -3.991 6.784 -1.387 1.00 1.52 C ATOM 0 H LEU A 8 -4.978 4.454 -4.402 1.00 0.63 H new ATOM 0 HA LEU A 8 -4.978 2.468 -2.216 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -5.762 4.435 -0.767 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -4.051 4.315 -1.125 1.00 1.20 H new ATOM 0 HG LEU A 8 -4.796 5.921 -3.165 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -6.406 7.586 -2.325 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -7.149 5.977 -2.494 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -6.689 6.580 -0.884 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -4.010 7.801 -1.778 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -4.206 6.801 -0.319 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -3.004 6.351 -1.551 1.00 1.52 H new ATOM 70 N GLN A 9 -7.476 2.433 -2.140 1.00 0.65 N ATOM 71 CA GLN A 9 -8.914 2.239 -2.280 1.00 0.80 C ATOM 72 C GLN A 9 -9.611 2.359 -0.931 1.00 0.79 C ATOM 73 O GLN A 9 -9.332 1.596 -0.006 1.00 0.81 O ATOM 74 CB GLN A 9 -9.207 0.870 -2.896 1.00 1.03 C ATOM 75 CG GLN A 9 -8.420 0.586 -4.164 1.00 1.27 C ATOM 76 CD GLN A 9 -8.580 1.675 -5.206 1.00 1.82 C ATOM 77 OE1 GLN A 9 -9.697 2.040 -5.573 1.00 2.23 O ATOM 78 NE2 GLN A 9 -7.460 2.200 -5.690 1.00 2.59 N ATOM 0 H GLN A 9 -7.034 1.822 -1.453 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.298 3.017 -2.939 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -8.985 0.096 -2.161 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -10.272 0.802 -3.118 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -7.364 0.479 -3.915 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -8.747 -0.365 -4.585 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -6.555 1.867 -5.357 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -7.505 2.936 -6.395 1.00 2.59 H new ATOM 85 N ILE A 10 -10.524 3.318 -0.827 1.00 0.83 N ATOM 86 CA ILE A 10 -11.263 3.533 0.409 1.00 0.86 C ATOM 87 C ILE A 10 -12.651 2.904 0.323 1.00 1.02 C ATOM 88 O ILE A 10 -13.372 3.089 -0.658 1.00 1.23 O ATOM 89 CB ILE A 10 -11.372 5.043 0.741 1.00 0.96 C ATOM 90 CG1 ILE A 10 -10.284 5.431 1.756 1.00 1.21 C ATOM 91 CG2 ILE A 10 -12.764 5.408 1.253 1.00 1.28 C ATOM 92 CD1 ILE A 10 -10.792 5.643 3.170 1.00 1.19 C ATOM 0 H ILE A 10 -10.769 3.957 -1.583 1.00 0.83 H new ATOM 0 HA ILE A 10 -10.712 3.049 1.215 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.215 5.610 -0.176 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -9.523 4.651 1.770 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -9.798 6.346 1.417 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -12.802 6.474 1.475 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -13.506 5.169 0.491 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -12.979 4.841 2.159 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -9.959 5.913 3.819 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -11.531 6.444 3.175 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -11.251 4.724 3.533 1.00 1.19 H new ATOM 96 N ALA A 11 -13.013 2.158 1.359 1.00 0.97 N ATOM 97 CA ALA A 11 -14.310 1.495 1.409 1.00 1.15 C ATOM 98 C ALA A 11 -14.937 1.627 2.793 1.00 1.15 C ATOM 99 O ALA A 11 -15.435 0.653 3.356 1.00 1.32 O ATOM 100 CB ALA A 11 -14.164 0.029 1.028 1.00 1.30 C ATOM 0 H ALA A 11 -12.426 1.997 2.177 1.00 0.97 H new ATOM 0 HA ALA A 11 -14.972 1.981 0.692 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -15.139 -0.456 1.069 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.763 -0.046 0.017 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -13.485 -0.462 1.725 1.00 1.30 H new ATOM 106 N THR A 12 -14.905 2.838 3.336 1.00 1.10 N ATOM 107 CA THR A 12 -15.466 3.098 4.655 1.00 1.29 C ATOM 108 C THR A 12 -16.851 3.725 4.548 1.00 1.72 C ATOM 109 O THR A 12 -17.073 4.634 3.748 1.00 2.07 O ATOM 110 CB THR A 12 -14.540 4.014 5.454 1.00 1.15 C ATOM 111 OG1 THR A 12 -14.029 5.052 4.635 1.00 1.78 O ATOM 112 CG2 THR A 12 -13.363 3.285 6.063 1.00 1.29 C ATOM 0 H THR A 12 -14.496 3.655 2.883 1.00 1.10 H new ATOM 0 HA THR A 12 -15.560 2.144 5.174 1.00 1.29 H new ATOM 0 HB THR A 12 -15.154 4.417 6.259 1.00 1.15 H new ATOM 0 HG1 THR A 12 -13.086 5.207 4.854 1.00 1.78 H new ATOM 0 HG21 THR A 12 -12.745 3.991 6.617 1.00 1.29 H new ATOM 0 HG22 THR A 12 -13.725 2.511 6.740 1.00 1.29 H new ATOM 0 HG23 THR A 12 -12.770 2.826 5.272 1.00 1.29 H new ATOM 117 N GLU A 13 -17.779 3.234 5.362 1.00 2.10 N ATOM 118 CA GLU A 13 -19.144 3.745 5.364 1.00 2.62 C ATOM 119 C GLU A 13 -19.194 5.153 5.947 1.00 2.49 C ATOM 120 O GLU A 13 -20.056 5.955 5.584 1.00 2.85 O ATOM 121 CB GLU A 13 -20.056 2.815 6.165 1.00 3.24 C ATOM 122 CG GLU A 13 -21.531 3.162 6.049 1.00 3.89 C ATOM 123 CD GLU A 13 -22.257 2.290 5.044 1.00 4.72 C ATOM 124 OE1 GLU A 13 -21.936 1.085 4.962 1.00 5.17 O ATOM 125 OE2 GLU A 13 -23.148 2.810 4.340 1.00 5.27 O ATOM 0 H GLU A 13 -17.610 2.482 6.030 1.00 2.10 H new ATOM 0 HA GLU A 13 -19.494 3.785 4.333 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -19.905 1.790 5.826 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -19.765 2.849 7.215 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -22.004 3.055 7.025 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -21.633 4.208 5.758 1.00 3.89 H new ATOM 132 N ASN A 14 -18.266 5.448 6.852 1.00 2.26 N ATOM 133 CA ASN A 14 -18.206 6.760 7.485 1.00 2.51 C ATOM 134 C ASN A 14 -16.788 7.074 7.956 1.00 1.99 C ATOM 135 O ASN A 14 -16.246 6.390 8.824 1.00 1.78 O ATOM 136 CB ASN A 14 -19.175 6.825 8.668 1.00 3.10 C ATOM 137 CG ASN A 14 -19.063 5.614 9.574 1.00 3.79 C ATOM 138 OD1 ASN A 14 -18.090 4.862 9.508 1.00 4.30 O ATOM 139 ND2 ASN A 14 -20.061 5.421 10.429 1.00 4.18 N ATOM 0 H ASN A 14 -17.546 4.796 7.163 1.00 2.26 H new ATOM 0 HA ASN A 14 -18.497 7.505 6.745 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -18.978 7.728 9.246 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -20.196 6.903 8.294 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -20.040 4.624 11.065 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -20.848 6.070 10.449 1.00 4.18 H new ATOM 144 N ILE A 15 -16.194 8.113 7.379 1.00 2.45 N ATOM 145 CA ILE A 15 -14.840 8.521 7.742 1.00 2.24 C ATOM 146 C ILE A 15 -14.705 10.038 7.750 1.00 1.60 C ATOM 147 O ILE A 15 -15.669 10.761 7.502 1.00 1.92 O ATOM 148 CB ILE A 15 -13.778 7.929 6.788 1.00 3.00 C ATOM 149 CG1 ILE A 15 -14.362 7.697 5.391 1.00 2.89 C ATOM 150 CG2 ILE A 15 -13.222 6.634 7.358 1.00 3.77 C ATOM 151 CD1 ILE A 15 -14.887 8.956 4.736 1.00 3.61 C ATOM 0 H ILE A 15 -16.628 8.689 6.658 1.00 2.45 H new ATOM 0 HA ILE A 15 -14.663 8.132 8.745 1.00 2.24 H new ATOM 0 HB ILE A 15 -12.964 8.648 6.695 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -13.594 7.259 4.754 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -15.171 6.970 5.461 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -12.475 6.227 6.676 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -12.761 6.831 8.326 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -14.031 5.914 7.481 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -15.285 8.715 3.750 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -15.678 9.384 5.352 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -14.077 9.678 4.633 1.00 3.61 H new ATOM 155 N GLU A 16 -13.497 10.514 8.035 1.00 1.45 N ATOM 156 CA GLU A 16 -13.226 11.945 8.075 1.00 1.67 C ATOM 157 C GLU A 16 -12.952 12.487 6.674 1.00 1.94 C ATOM 158 O GLU A 16 -11.896 13.066 6.416 1.00 2.67 O ATOM 159 CB GLU A 16 -12.036 12.227 8.993 1.00 2.11 C ATOM 160 CG GLU A 16 -12.195 13.488 9.828 1.00 3.11 C ATOM 161 CD GLU A 16 -12.524 13.189 11.277 1.00 3.84 C ATOM 162 OE1 GLU A 16 -12.067 12.145 11.787 1.00 4.53 O ATOM 163 OE2 GLU A 16 -13.238 14.001 11.904 1.00 4.13 O ATOM 0 H GLU A 16 -12.689 9.927 8.242 1.00 1.45 H new ATOM 0 HA GLU A 16 -14.108 12.451 8.469 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -11.892 11.376 9.659 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -11.134 12.314 8.388 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -11.274 14.069 9.781 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -12.984 14.106 9.400 1.00 3.11 H new ATOM 170 N GLY A 17 -13.909 12.293 5.773 1.00 1.95 N ATOM 171 CA GLY A 17 -13.751 12.768 4.411 1.00 2.86 C ATOM 172 C GLY A 17 -13.038 11.764 3.527 1.00 2.74 C ATOM 173 O GLY A 17 -11.968 11.267 3.878 1.00 3.16 O ATOM 0 H GLY A 17 -14.791 11.816 5.961 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -14.732 12.987 3.989 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -13.191 13.703 4.418 1.00 2.86 H new ATOM 177 N LEU A 18 -13.632 11.465 2.375 1.00 2.64 N ATOM 178 CA LEU A 18 -13.047 10.514 1.435 1.00 2.63 C ATOM 179 C LEU A 18 -11.627 10.929 1.051 1.00 2.01 C ATOM 180 O LEU A 18 -11.434 11.906 0.328 1.00 2.22 O ATOM 181 CB LEU A 18 -13.915 10.409 0.179 1.00 3.46 C ATOM 182 CG LEU A 18 -15.137 9.499 0.312 1.00 3.97 C ATOM 183 CD1 LEU A 18 -14.707 8.056 0.521 1.00 4.46 C ATOM 184 CD2 LEU A 18 -16.026 9.965 1.455 1.00 4.91 C ATOM 0 H LEU A 18 -14.518 11.868 2.070 1.00 2.64 H new ATOM 0 HA LEU A 18 -13.003 9.540 1.923 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -14.253 11.408 -0.095 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -13.297 10.045 -0.642 1.00 3.46 H new ATOM 0 HG LEU A 18 -15.711 9.554 -0.613 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -15.590 7.423 0.614 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -14.112 7.727 -0.331 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -14.111 7.982 1.430 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -16.891 9.306 1.535 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -15.463 9.940 2.388 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -16.363 10.984 1.262 1.00 4.91 H new ATOM 190 N PRO A 19 -10.609 10.190 1.531 1.00 1.58 N ATOM 191 CA PRO A 19 -9.206 10.494 1.229 1.00 1.46 C ATOM 192 C PRO A 19 -8.948 10.614 -0.269 1.00 1.48 C ATOM 193 O PRO A 19 -9.181 9.671 -1.026 1.00 2.32 O ATOM 194 CB PRO A 19 -8.448 9.296 1.809 1.00 1.63 C ATOM 195 CG PRO A 19 -9.337 8.767 2.879 1.00 1.84 C ATOM 196 CD PRO A 19 -10.742 9.006 2.401 1.00 1.84 C ATOM 0 HA PRO A 19 -8.898 11.452 1.648 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -8.256 8.542 1.046 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -7.480 9.597 2.211 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -9.157 7.705 3.047 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -9.154 9.275 3.826 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.132 8.147 1.855 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -11.423 9.192 3.231 1.00 1.84 H new ATOM 204 N THR A 20 -8.463 11.778 -0.693 1.00 1.19 N ATOM 205 CA THR A 20 -8.173 12.017 -2.102 1.00 1.25 C ATOM 206 C THR A 20 -6.803 11.461 -2.470 1.00 1.21 C ATOM 207 O THR A 20 -5.807 11.749 -1.808 1.00 1.19 O ATOM 208 CB THR A 20 -8.228 13.514 -2.410 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.076 14.171 -1.913 1.00 1.78 O ATOM 210 CG2 THR A 20 -9.440 14.202 -1.820 1.00 2.03 C ATOM 0 H THR A 20 -8.263 12.569 -0.081 1.00 1.19 H new ATOM 0 HA THR A 20 -8.929 11.505 -2.697 1.00 1.25 H new ATOM 0 HB THR A 20 -8.284 13.584 -3.496 1.00 1.39 H new ATOM 0 HG1 THR A 20 -7.129 15.127 -2.121 1.00 1.78 H new ATOM 0 HG21 THR A 20 -9.418 15.261 -2.076 1.00 2.03 H new ATOM 0 HG22 THR A 20 -10.347 13.751 -2.223 1.00 2.03 H new ATOM 0 HG23 THR A 20 -9.430 14.090 -0.736 1.00 2.03 H new ATOM 215 N GLU A 21 -6.757 10.664 -3.531 1.00 1.30 N ATOM 216 CA GLU A 21 -5.503 10.070 -3.980 1.00 1.28 C ATOM 217 C GLU A 21 -4.587 11.121 -4.591 1.00 1.19 C ATOM 218 O GLU A 21 -3.399 11.157 -4.292 1.00 1.10 O ATOM 219 CB GLU A 21 -5.764 8.949 -4.989 1.00 1.44 C ATOM 220 CG GLU A 21 -6.782 9.303 -6.063 1.00 1.56 C ATOM 221 CD GLU A 21 -6.872 8.249 -7.149 1.00 1.94 C ATOM 222 OE1 GLU A 21 -6.906 7.048 -6.809 1.00 2.04 O ATOM 223 OE2 GLU A 21 -6.910 8.625 -8.340 1.00 2.54 O ATOM 0 H GLU A 21 -7.570 10.415 -4.095 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.006 9.646 -3.107 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -4.823 8.681 -5.470 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -6.110 8.066 -4.453 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -7.762 9.430 -5.602 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -6.514 10.260 -6.511 1.00 1.56 H new ATOM 230 N GLU A 22 -5.143 11.976 -5.443 1.00 1.24 N ATOM 231 CA GLU A 22 -4.360 13.024 -6.093 1.00 1.18 C ATOM 232 C GLU A 22 -3.455 13.739 -5.092 1.00 1.05 C ATOM 233 O GLU A 22 -2.239 13.825 -5.288 1.00 0.99 O ATOM 234 CB GLU A 22 -5.290 14.033 -6.772 1.00 1.26 C ATOM 235 CG GLU A 22 -5.150 14.064 -8.285 1.00 1.93 C ATOM 236 CD GLU A 22 -6.148 13.160 -8.982 1.00 2.47 C ATOM 237 OE1 GLU A 22 -7.328 13.154 -8.575 1.00 3.23 O ATOM 238 OE2 GLU A 22 -5.748 12.458 -9.935 1.00 2.76 O ATOM 0 H GLU A 22 -6.130 11.965 -5.700 1.00 1.24 H new ATOM 0 HA GLU A 22 -3.728 12.554 -6.847 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -6.322 13.794 -6.515 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -5.085 15.028 -6.376 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -5.284 15.087 -8.638 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -4.139 13.762 -8.559 1.00 1.93 H new ATOM 245 N GLN A 23 -4.052 14.244 -4.018 1.00 1.02 N ATOM 246 CA GLN A 23 -3.300 14.948 -2.987 1.00 0.93 C ATOM 247 C GLN A 23 -2.257 14.036 -2.351 1.00 0.82 C ATOM 248 O GLN A 23 -1.058 14.231 -2.535 1.00 0.77 O ATOM 249 CB GLN A 23 -4.251 15.482 -1.913 1.00 0.99 C ATOM 250 CG GLN A 23 -3.567 16.359 -0.877 1.00 0.97 C ATOM 251 CD GLN A 23 -3.176 15.591 0.370 1.00 1.14 C ATOM 252 OE1 GLN A 23 -3.978 15.428 1.291 1.00 2.08 O ATOM 253 NE2 GLN A 23 -1.937 15.114 0.407 1.00 1.09 N ATOM 0 H GLN A 23 -5.054 14.179 -3.839 1.00 1.02 H new ATOM 0 HA GLN A 23 -2.783 15.784 -3.457 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.045 16.054 -2.394 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -4.725 14.640 -1.408 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -2.676 16.808 -1.317 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -4.233 17.177 -0.602 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -1.306 15.273 -0.378 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -1.617 14.589 1.221 1.00 1.09 H new ATOM 260 N ILE A 24 -2.722 13.035 -1.608 1.00 0.83 N ATOM 261 CA ILE A 24 -1.826 12.090 -0.946 1.00 0.74 C ATOM 262 C ILE A 24 -0.791 11.538 -1.925 1.00 0.69 C ATOM 263 O ILE A 24 0.417 11.717 -1.740 1.00 0.67 O ATOM 264 CB ILE A 24 -2.619 10.918 -0.316 1.00 0.82 C ATOM 265 CG1 ILE A 24 -3.351 11.390 0.943 1.00 1.01 C ATOM 266 CG2 ILE A 24 -1.696 9.751 0.018 1.00 0.85 C ATOM 267 CD1 ILE A 24 -4.802 11.738 0.708 1.00 1.43 C ATOM 0 H ILE A 24 -3.714 12.857 -1.449 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.310 12.633 -0.154 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.353 10.574 -1.045 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -3.292 10.609 1.701 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -2.838 12.264 1.345 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.278 8.942 0.459 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.213 9.397 -0.893 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -0.936 10.080 0.727 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -5.254 12.064 1.645 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -4.869 12.541 -0.026 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -5.331 10.861 0.336 1.00 1.43 H new ATOM 271 N VAL A 25 -1.275 10.865 -2.962 1.00 0.77 N ATOM 272 CA VAL A 25 -0.407 10.277 -3.974 1.00 0.77 C ATOM 273 C VAL A 25 0.634 11.275 -4.472 1.00 0.74 C ATOM 274 O VAL A 25 1.837 11.052 -4.331 1.00 0.73 O ATOM 275 CB VAL A 25 -1.227 9.753 -5.177 1.00 0.91 C ATOM 276 CG1 VAL A 25 -0.333 9.472 -6.373 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.011 8.508 -4.787 1.00 1.45 C ATOM 0 H VAL A 25 -2.270 10.713 -3.124 1.00 0.77 H new ATOM 0 HA VAL A 25 0.108 9.442 -3.499 1.00 0.77 H new ATOM 0 HB VAL A 25 -1.934 10.531 -5.466 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -0.939 9.105 -7.202 1.00 0.85 H new ATOM 0 HG12 VAL A 25 0.174 10.390 -6.672 1.00 0.85 H new ATOM 0 HG13 VAL A 25 0.408 8.719 -6.104 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -2.582 8.154 -5.645 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -1.320 7.729 -4.464 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -2.694 8.748 -3.972 1.00 1.45 H new ATOM 281 N GLN A 26 0.163 12.368 -5.064 1.00 0.76 N ATOM 282 CA GLN A 26 1.057 13.390 -5.596 1.00 0.77 C ATOM 283 C GLN A 26 2.035 13.887 -4.536 1.00 0.72 C ATOM 284 O GLN A 26 3.247 13.858 -4.733 1.00 0.71 O ATOM 285 CB GLN A 26 0.252 14.564 -6.154 1.00 0.85 C ATOM 286 CG GLN A 26 1.067 15.495 -7.037 1.00 0.94 C ATOM 287 CD GLN A 26 0.517 16.908 -7.061 1.00 1.33 C ATOM 288 OE1 GLN A 26 -0.670 17.128 -6.821 1.00 1.72 O ATOM 289 NE2 GLN A 26 1.381 17.874 -7.351 1.00 2.19 N ATOM 0 H GLN A 26 -0.830 12.568 -5.187 1.00 0.76 H new ATOM 0 HA GLN A 26 1.634 12.935 -6.401 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -0.590 14.176 -6.728 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.164 15.135 -5.324 1.00 0.85 H new ATOM 0 HG2 GLN A 26 2.097 15.516 -6.682 1.00 0.94 H new ATOM 0 HG3 GLN A 26 1.088 15.100 -8.053 1.00 0.94 H new ATOM 0 HE21 GLN A 26 2.356 17.645 -7.543 1.00 2.19 H new ATOM 0 HE22 GLN A 26 1.069 18.845 -7.381 1.00 2.19 H new ATOM 296 N TRP A 27 1.511 14.353 -3.413 1.00 0.74 N ATOM 297 CA TRP A 27 2.361 14.865 -2.347 1.00 0.76 C ATOM 298 C TRP A 27 3.447 13.855 -1.962 1.00 0.69 C ATOM 299 O TRP A 27 4.641 14.144 -2.076 1.00 0.67 O ATOM 300 CB TRP A 27 1.502 15.264 -1.128 1.00 0.92 C ATOM 301 CG TRP A 27 1.890 14.612 0.170 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.375 13.461 0.695 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.862 15.082 1.111 1.00 0.79 C ATOM 304 NE1 TRP A 27 1.970 13.185 1.901 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.886 14.164 2.178 1.00 0.81 C ATOM 306 CE3 TRP A 27 3.717 16.188 1.156 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.729 14.318 3.276 1.00 0.79 C ATOM 308 CZ3 TRP A 27 4.554 16.339 2.245 1.00 0.98 C ATOM 309 CH2 TRP A 27 4.555 15.408 3.293 1.00 0.87 C ATOM 0 H TRP A 27 0.511 14.388 -3.216 1.00 0.74 H new ATOM 0 HA TRP A 27 2.872 15.756 -2.713 1.00 0.76 H new ATOM 0 HB2 TRP A 27 1.557 16.345 -1.003 1.00 0.92 H new ATOM 0 HB3 TRP A 27 0.461 15.020 -1.342 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.611 12.856 0.229 1.00 1.06 H new ATOM 0 HE1 TRP A 27 1.763 12.381 2.494 1.00 1.02 H new ATOM 0 HE3 TRP A 27 3.723 16.911 0.354 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 3.730 13.602 4.085 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 5.219 17.189 2.290 1.00 0.98 H new ATOM 0 HH2 TRP A 27 5.221 15.554 4.130 1.00 0.87 H new ATOM 320 N ALA A 28 3.038 12.678 -1.499 1.00 0.70 N ATOM 321 CA ALA A 28 3.999 11.664 -1.082 1.00 0.72 C ATOM 322 C ALA A 28 4.632 10.924 -2.259 1.00 0.68 C ATOM 323 O ALA A 28 5.778 11.193 -2.630 1.00 0.73 O ATOM 324 CB ALA A 28 3.331 10.675 -0.137 1.00 0.78 C ATOM 0 H ALA A 28 2.060 12.405 -1.404 1.00 0.70 H new ATOM 0 HA ALA A 28 4.807 12.183 -0.567 1.00 0.72 H new ATOM 0 HB1 ALA A 28 4.055 9.920 0.171 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.962 11.204 0.742 1.00 0.78 H new ATOM 0 HB3 ALA A 28 2.497 10.192 -0.646 1.00 0.78 H new ATOM 330 N THR A 29 3.896 9.981 -2.834 1.00 0.63 N ATOM 331 CA THR A 29 4.418 9.197 -3.947 1.00 0.67 C ATOM 332 C THR A 29 4.805 10.073 -5.127 1.00 0.64 C ATOM 333 O THR A 29 5.623 9.677 -5.958 1.00 0.72 O ATOM 334 CB THR A 29 3.415 8.135 -4.384 1.00 0.69 C ATOM 335 OG1 THR A 29 2.372 8.003 -3.436 1.00 1.02 O ATOM 336 CG2 THR A 29 4.052 6.774 -4.562 1.00 0.74 C ATOM 0 H THR A 29 2.945 9.742 -2.552 1.00 0.63 H new ATOM 0 HA THR A 29 5.321 8.701 -3.591 1.00 0.67 H new ATOM 0 HB THR A 29 3.024 8.474 -5.343 1.00 0.69 H new ATOM 0 HG1 THR A 29 2.455 7.142 -2.976 1.00 1.02 H new ATOM 0 HG21 THR A 29 3.294 6.055 -4.873 1.00 0.74 H new ATOM 0 HG22 THR A 29 4.830 6.833 -5.323 1.00 0.74 H new ATOM 0 HG23 THR A 29 4.491 6.452 -3.618 1.00 0.74 H new ATOM 341 N GLY A 30 4.227 11.263 -5.203 1.00 0.60 N ATOM 342 CA GLY A 30 4.552 12.152 -6.293 1.00 0.64 C ATOM 343 C GLY A 30 5.988 12.618 -6.230 1.00 0.66 C ATOM 344 O GLY A 30 6.694 12.615 -7.240 1.00 0.72 O ATOM 0 H GLY A 30 3.546 11.624 -4.535 1.00 0.60 H new ATOM 0 HA2 GLY A 30 4.376 11.644 -7.241 1.00 0.64 H new ATOM 0 HA3 GLY A 30 3.888 13.016 -6.267 1.00 0.64 H new ATOM 348 N ALA A 31 6.434 13.007 -5.038 1.00 0.65 N ATOM 349 CA ALA A 31 7.808 13.457 -4.858 1.00 0.73 C ATOM 350 C ALA A 31 8.781 12.282 -4.944 1.00 0.75 C ATOM 351 O ALA A 31 9.996 12.470 -4.995 1.00 0.83 O ATOM 352 CB ALA A 31 7.960 14.174 -3.525 1.00 0.82 C ATOM 0 H ALA A 31 5.868 13.019 -4.190 1.00 0.65 H new ATOM 0 HA ALA A 31 8.046 14.156 -5.660 1.00 0.73 H new ATOM 0 HB1 ALA A 31 8.992 14.504 -3.405 1.00 0.82 H new ATOM 0 HB2 ALA A 31 7.297 15.039 -3.499 1.00 0.82 H new ATOM 0 HB3 ALA A 31 7.700 13.493 -2.714 1.00 0.82 H new ATOM 358 N VAL A 32 8.234 11.066 -4.944 1.00 0.76 N ATOM 359 CA VAL A 32 9.043 9.852 -5.003 1.00 0.87 C ATOM 360 C VAL A 32 9.607 9.572 -6.396 1.00 0.91 C ATOM 361 O VAL A 32 10.819 9.431 -6.562 1.00 1.03 O ATOM 362 CB VAL A 32 8.224 8.636 -4.542 1.00 1.04 C ATOM 363 CG1 VAL A 32 9.036 7.349 -4.616 1.00 1.07 C ATOM 364 CG2 VAL A 32 7.718 8.869 -3.135 1.00 1.23 C ATOM 0 H VAL A 32 7.229 10.897 -4.904 1.00 0.76 H new ATOM 0 HA VAL A 32 9.886 10.020 -4.333 1.00 0.87 H new ATOM 0 HB VAL A 32 7.375 8.519 -5.216 1.00 1.04 H new ATOM 0 HG11 VAL A 32 8.423 6.512 -4.282 1.00 1.07 H new ATOM 0 HG12 VAL A 32 9.354 7.178 -5.644 1.00 1.07 H new ATOM 0 HG13 VAL A 32 9.913 7.435 -3.974 1.00 1.07 H new ATOM 0 HG21 VAL A 32 7.137 8.006 -2.810 1.00 1.23 H new ATOM 0 HG22 VAL A 32 8.564 9.011 -2.463 1.00 1.23 H new ATOM 0 HG23 VAL A 32 7.087 9.758 -3.118 1.00 1.23 H new ATOM 368 N GLN A 33 8.729 9.454 -7.386 1.00 0.90 N ATOM 369 CA GLN A 33 9.155 9.147 -8.752 1.00 1.04 C ATOM 370 C GLN A 33 8.838 10.276 -9.734 1.00 1.07 C ATOM 371 O GLN A 33 8.342 10.024 -10.833 1.00 1.22 O ATOM 372 CB GLN A 33 8.503 7.845 -9.225 1.00 1.22 C ATOM 373 CG GLN A 33 9.462 6.898 -9.933 1.00 1.37 C ATOM 374 CD GLN A 33 10.749 6.659 -9.160 1.00 1.19 C ATOM 375 OE1 GLN A 33 11.802 6.419 -9.749 1.00 1.67 O ATOM 376 NE2 GLN A 33 10.673 6.721 -7.834 1.00 1.88 N ATOM 0 H GLN A 33 7.722 9.565 -7.272 1.00 0.90 H new ATOM 0 HA GLN A 33 10.239 9.033 -8.731 1.00 1.04 H new ATOM 0 HB2 GLN A 33 8.071 7.333 -8.365 1.00 1.22 H new ATOM 0 HB3 GLN A 33 7.681 8.086 -9.899 1.00 1.22 H new ATOM 0 HG2 GLN A 33 8.963 5.943 -10.099 1.00 1.37 H new ATOM 0 HG3 GLN A 33 9.706 7.305 -10.914 1.00 1.37 H new ATOM 0 HE21 GLN A 33 9.781 6.923 -7.383 1.00 1.88 H new ATOM 0 HE22 GLN A 33 11.507 6.567 -7.268 1.00 1.88 H new ATOM 383 N PRO A 34 9.127 11.539 -9.371 1.00 1.04 N ATOM 384 CA PRO A 34 8.869 12.680 -10.251 1.00 1.23 C ATOM 385 C PRO A 34 9.490 12.473 -11.629 1.00 1.50 C ATOM 386 O PRO A 34 8.806 12.552 -12.650 1.00 1.84 O ATOM 387 CB PRO A 34 9.529 13.865 -9.525 1.00 1.29 C ATOM 388 CG PRO A 34 10.389 13.258 -8.469 1.00 1.15 C ATOM 389 CD PRO A 34 9.744 11.956 -8.107 1.00 0.96 C ATOM 0 HA PRO A 34 7.805 12.832 -10.430 1.00 1.23 H new ATOM 0 HB2 PRO A 34 10.121 14.467 -10.215 1.00 1.29 H new ATOM 0 HB3 PRO A 34 8.779 14.525 -9.089 1.00 1.29 H new ATOM 0 HG2 PRO A 34 11.404 13.102 -8.835 1.00 1.15 H new ATOM 0 HG3 PRO A 34 10.460 13.913 -7.600 1.00 1.15 H new ATOM 0 HD2 PRO A 34 10.473 11.228 -7.753 1.00 0.96 H new ATOM 0 HD3 PRO A 34 9.004 12.077 -7.316 1.00 0.96 H new ATOM 397 N GLU A 35 10.789 12.191 -11.647 1.00 1.43 N ATOM 398 CA GLU A 35 11.507 11.951 -12.894 1.00 1.69 C ATOM 399 C GLU A 35 12.069 10.532 -12.926 1.00 1.95 C ATOM 400 O GLU A 35 13.213 10.315 -13.329 1.00 2.55 O ATOM 401 CB GLU A 35 12.640 12.967 -13.058 1.00 1.58 C ATOM 402 CG GLU A 35 12.198 14.270 -13.705 1.00 2.20 C ATOM 403 CD GLU A 35 13.367 15.119 -14.163 1.00 2.95 C ATOM 404 OE1 GLU A 35 13.835 14.921 -15.305 1.00 3.47 O ATOM 405 OE2 GLU A 35 13.817 15.982 -13.379 1.00 3.53 O ATOM 0 H GLU A 35 11.367 12.123 -10.810 1.00 1.43 H new ATOM 0 HA GLU A 35 10.806 12.066 -13.721 1.00 1.69 H new ATOM 0 HB2 GLU A 35 13.068 13.184 -12.079 1.00 1.58 H new ATOM 0 HB3 GLU A 35 13.432 12.522 -13.660 1.00 1.58 H new ATOM 0 HG2 GLU A 35 11.558 14.049 -14.559 1.00 2.20 H new ATOM 0 HG3 GLU A 35 11.597 14.838 -12.995 1.00 2.20 H new ATOM 412 N GLY A 36 11.263 9.567 -12.489 1.00 1.77 N ATOM 413 CA GLY A 36 11.705 8.183 -12.466 1.00 2.19 C ATOM 414 C GLY A 36 10.961 7.302 -13.450 1.00 1.74 C ATOM 415 O GLY A 36 10.476 7.775 -14.479 1.00 1.77 O ATOM 0 H GLY A 36 10.313 9.719 -12.151 1.00 1.77 H new ATOM 0 HA2 GLY A 36 12.771 8.145 -12.689 1.00 2.19 H new ATOM 0 HA3 GLY A 36 11.575 7.784 -11.460 1.00 2.19 H new ATOM 419 N ASN A 37 10.881 6.010 -13.135 1.00 2.06 N ATOM 420 CA ASN A 37 10.201 5.046 -13.995 1.00 2.08 C ATOM 421 C ASN A 37 8.721 4.932 -13.640 1.00 1.73 C ATOM 422 O ASN A 37 8.231 5.621 -12.745 1.00 1.94 O ATOM 423 CB ASN A 37 10.868 3.674 -13.883 1.00 3.12 C ATOM 424 CG ASN A 37 10.909 2.940 -15.209 1.00 3.90 C ATOM 425 OD1 ASN A 37 9.932 2.929 -15.957 1.00 4.50 O ATOM 426 ND2 ASN A 37 12.045 2.319 -15.507 1.00 4.34 N ATOM 0 H ASN A 37 11.280 5.607 -12.287 1.00 2.06 H new ATOM 0 HA ASN A 37 10.279 5.403 -15.022 1.00 2.08 H new ATOM 0 HB2 ASN A 37 11.884 3.797 -13.507 1.00 3.12 H new ATOM 0 HB3 ASN A 37 10.329 3.070 -13.153 1.00 3.12 H new ATOM 0 HD21 ASN A 37 12.131 1.807 -16.385 1.00 4.34 H new ATOM 0 HD22 ASN A 37 12.831 2.354 -14.858 1.00 4.34 H new ATOM 431 N GLU A 38 8.015 4.060 -14.354 1.00 1.77 N ATOM 432 CA GLU A 38 6.589 3.853 -14.124 1.00 1.76 C ATOM 433 C GLU A 38 6.330 2.525 -13.417 1.00 1.90 C ATOM 434 O GLU A 38 6.654 1.458 -13.941 1.00 2.28 O ATOM 435 CB GLU A 38 5.834 3.890 -15.454 1.00 2.18 C ATOM 436 CG GLU A 38 4.324 3.961 -15.296 1.00 2.12 C ATOM 437 CD GLU A 38 3.586 3.322 -16.457 1.00 2.42 C ATOM 438 OE1 GLU A 38 3.744 3.803 -17.598 1.00 2.88 O ATOM 439 OE2 GLU A 38 2.850 2.340 -16.224 1.00 2.81 O ATOM 0 H GLU A 38 8.408 3.484 -15.098 1.00 1.77 H new ATOM 0 HA GLU A 38 6.231 4.656 -13.480 1.00 1.76 H new ATOM 0 HB2 GLU A 38 6.171 4.752 -16.030 1.00 2.18 H new ATOM 0 HB3 GLU A 38 6.089 3.001 -16.032 1.00 2.18 H new ATOM 0 HG2 GLU A 38 4.035 3.465 -14.369 1.00 2.12 H new ATOM 0 HG3 GLU A 38 4.020 5.004 -15.207 1.00 2.12 H new ATOM 446 N VAL A 39 5.736 2.598 -12.228 1.00 1.79 N ATOM 447 CA VAL A 39 5.422 1.398 -11.447 1.00 2.04 C ATOM 448 C VAL A 39 4.106 1.601 -10.696 1.00 1.58 C ATOM 449 O VAL A 39 3.535 2.690 -10.753 1.00 1.86 O ATOM 450 CB VAL A 39 6.553 1.051 -10.452 1.00 2.80 C ATOM 451 CG1 VAL A 39 6.520 -0.427 -10.096 1.00 3.56 C ATOM 452 CG2 VAL A 39 7.914 1.439 -11.017 1.00 3.20 C ATOM 0 H VAL A 39 5.462 3.473 -11.782 1.00 1.79 H new ATOM 0 HA VAL A 39 5.324 0.562 -12.139 1.00 2.04 H new ATOM 0 HB VAL A 39 6.390 1.627 -9.541 1.00 2.80 H new ATOM 0 HG11 VAL A 39 7.324 -0.650 -9.395 1.00 3.56 H new ATOM 0 HG12 VAL A 39 5.561 -0.670 -9.638 1.00 3.56 H new ATOM 0 HG13 VAL A 39 6.651 -1.022 -11.000 1.00 3.56 H new ATOM 0 HG21 VAL A 39 8.693 1.184 -10.298 1.00 3.20 H new ATOM 0 HG22 VAL A 39 8.089 0.899 -11.948 1.00 3.20 H new ATOM 0 HG23 VAL A 39 7.935 2.511 -11.210 1.00 3.20 H new ATOM 456 N GLU A 40 3.603 0.562 -10.007 1.00 1.19 N ATOM 457 CA GLU A 40 2.328 0.697 -9.294 1.00 0.87 C ATOM 458 C GLU A 40 2.239 -0.093 -7.977 1.00 0.72 C ATOM 459 O GLU A 40 2.357 -1.323 -7.954 1.00 0.71 O ATOM 460 CB GLU A 40 1.187 0.299 -10.219 1.00 0.85 C ATOM 461 CG GLU A 40 1.168 -1.179 -10.573 1.00 0.98 C ATOM 462 CD GLU A 40 -0.027 -1.905 -9.987 1.00 1.62 C ATOM 463 OE1 GLU A 40 -1.076 -1.258 -9.788 1.00 2.29 O ATOM 464 OE2 GLU A 40 0.087 -3.121 -9.727 1.00 2.10 O ATOM 0 H GLU A 40 4.046 -0.353 -9.931 1.00 1.19 H new ATOM 0 HA GLU A 40 2.254 1.746 -9.006 1.00 0.87 H new ATOM 0 HB2 GLU A 40 0.241 0.561 -9.746 1.00 0.85 H new ATOM 0 HB3 GLU A 40 1.257 0.882 -11.138 1.00 0.85 H new ATOM 0 HG2 GLU A 40 1.159 -1.289 -11.657 1.00 0.98 H new ATOM 0 HG3 GLU A 40 2.084 -1.647 -10.213 1.00 0.98 H new ATOM 471 N MET A 41 1.951 0.643 -6.890 1.00 0.77 N ATOM 472 CA MET A 41 1.751 0.056 -5.562 1.00 0.73 C ATOM 473 C MET A 41 0.268 0.171 -5.209 1.00 0.68 C ATOM 474 O MET A 41 -0.151 1.152 -4.591 1.00 0.72 O ATOM 475 CB MET A 41 2.568 0.775 -4.472 1.00 0.88 C ATOM 476 CG MET A 41 4.058 0.438 -4.439 1.00 1.06 C ATOM 477 SD MET A 41 5.066 1.828 -3.881 1.00 1.42 S ATOM 478 CE MET A 41 5.006 1.621 -2.103 1.00 1.11 C ATOM 0 H MET A 41 1.851 1.658 -6.911 1.00 0.77 H new ATOM 0 HA MET A 41 2.085 -0.981 -5.598 1.00 0.73 H new ATOM 0 HB2 MET A 41 2.459 1.851 -4.611 1.00 0.88 H new ATOM 0 HB3 MET A 41 2.137 0.534 -3.500 1.00 0.88 H new ATOM 0 HG2 MET A 41 4.221 -0.413 -3.778 1.00 1.06 H new ATOM 0 HG3 MET A 41 4.381 0.135 -5.435 1.00 1.06 H new ATOM 0 HE1 MET A 41 4.697 2.557 -1.638 1.00 1.11 H new ATOM 0 HE2 MET A 41 4.291 0.838 -1.852 1.00 1.11 H new ATOM 0 HE3 MET A 41 5.993 1.342 -1.736 1.00 1.11 H new ATOM 488 N THR A 42 -0.533 -0.807 -5.625 1.00 0.81 N ATOM 489 CA THR A 42 -1.966 -0.761 -5.356 1.00 0.79 C ATOM 490 C THR A 42 -2.266 -1.112 -3.904 1.00 0.77 C ATOM 491 O THR A 42 -1.624 -1.986 -3.319 1.00 1.11 O ATOM 492 CB THR A 42 -2.729 -1.691 -6.303 1.00 0.95 C ATOM 493 OG1 THR A 42 -1.905 -2.099 -7.380 1.00 0.97 O ATOM 494 CG2 THR A 42 -3.969 -1.053 -6.892 1.00 1.61 C ATOM 0 H THR A 42 -0.220 -1.629 -6.142 1.00 0.81 H new ATOM 0 HA THR A 42 -2.303 0.260 -5.532 1.00 0.79 H new ATOM 0 HB THR A 42 -3.029 -2.543 -5.692 1.00 0.95 H new ATOM 0 HG1 THR A 42 -1.318 -2.826 -7.085 1.00 0.97 H new ATOM 0 HG21 THR A 42 -4.464 -1.763 -7.554 1.00 1.61 H new ATOM 0 HG22 THR A 42 -4.649 -0.770 -6.089 1.00 1.61 H new ATOM 0 HG23 THR A 42 -3.687 -0.165 -7.458 1.00 1.61 H new ATOM 499 N VAL A 43 -3.236 -0.411 -3.326 1.00 0.65 N ATOM 500 CA VAL A 43 -3.616 -0.629 -1.938 1.00 0.64 C ATOM 501 C VAL A 43 -5.116 -0.433 -1.735 1.00 0.58 C ATOM 502 O VAL A 43 -5.743 0.389 -2.401 1.00 0.71 O ATOM 503 CB VAL A 43 -2.849 0.331 -1.005 1.00 0.75 C ATOM 504 CG1 VAL A 43 -3.241 0.115 0.452 1.00 1.53 C ATOM 505 CG2 VAL A 43 -1.349 0.167 -1.193 1.00 1.51 C ATOM 0 H VAL A 43 -3.774 0.315 -3.800 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.359 -1.659 -1.691 1.00 0.64 H new ATOM 0 HB VAL A 43 -3.121 1.352 -1.272 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -2.684 0.806 1.085 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -4.309 0.294 0.572 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -3.010 -0.910 0.743 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -0.822 0.851 -0.528 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -1.063 -0.859 -0.959 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -1.085 0.391 -2.227 1.00 1.51 H new ATOM 509 N ARG A 44 -5.681 -1.195 -0.804 1.00 0.55 N ATOM 510 CA ARG A 44 -7.103 -1.110 -0.501 1.00 0.54 C ATOM 511 C ARG A 44 -7.339 -1.191 1.003 1.00 0.57 C ATOM 512 O ARG A 44 -6.891 -2.130 1.665 1.00 0.69 O ATOM 513 CB ARG A 44 -7.863 -2.234 -1.210 1.00 0.61 C ATOM 514 CG ARG A 44 -9.346 -2.278 -0.873 1.00 1.19 C ATOM 515 CD ARG A 44 -10.029 -3.466 -1.531 1.00 1.98 C ATOM 516 NE ARG A 44 -11.482 -3.316 -1.554 1.00 2.48 N ATOM 517 CZ ARG A 44 -12.317 -4.252 -1.998 1.00 3.13 C ATOM 518 NH1 ARG A 44 -11.847 -5.406 -2.455 1.00 3.54 N ATOM 519 NH2 ARG A 44 -13.624 -4.035 -1.985 1.00 3.77 N ATOM 0 H ARG A 44 -5.173 -1.880 -0.245 1.00 0.55 H new ATOM 0 HA ARG A 44 -7.472 -0.149 -0.859 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.748 -2.115 -2.287 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -7.411 -3.190 -0.945 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -9.474 -2.336 0.208 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -9.823 -1.354 -1.201 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -9.660 -3.578 -2.550 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -9.767 -4.378 -0.995 1.00 1.98 H new ATOM 0 HE ARG A 44 -11.880 -2.442 -1.209 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -10.842 -5.578 -2.467 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -12.491 -6.120 -2.794 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -13.991 -3.150 -1.635 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -14.264 -4.753 -2.326 1.00 3.77 H new ATOM 533 N ILE A 45 -8.051 -0.206 1.536 1.00 0.55 N ATOM 534 CA ILE A 45 -8.353 -0.169 2.960 1.00 0.61 C ATOM 535 C ILE A 45 -9.850 -0.351 3.200 1.00 0.59 C ATOM 536 O ILE A 45 -10.669 0.422 2.706 1.00 0.60 O ATOM 537 CB ILE A 45 -7.871 1.148 3.611 1.00 0.71 C ATOM 538 CG1 ILE A 45 -8.770 2.324 3.214 1.00 0.59 C ATOM 539 CG2 ILE A 45 -6.426 1.430 3.223 1.00 0.94 C ATOM 540 CD1 ILE A 45 -8.246 3.670 3.674 1.00 0.63 C ATOM 0 H ILE A 45 -8.430 0.577 1.003 1.00 0.55 H new ATOM 0 HA ILE A 45 -7.815 -0.994 3.426 1.00 0.61 H new ATOM 0 HB ILE A 45 -7.930 1.031 4.693 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -8.879 2.337 2.130 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -9.764 2.168 3.633 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -6.099 2.360 3.688 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -5.792 0.612 3.563 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -6.351 1.520 2.139 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -8.933 4.455 3.358 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -8.163 3.676 4.761 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -7.265 3.848 3.234 1.00 0.63 H new ATOM 544 N VAL A 46 -10.198 -1.391 3.950 1.00 0.63 N ATOM 545 CA VAL A 46 -11.594 -1.687 4.243 1.00 0.63 C ATOM 546 C VAL A 46 -11.706 -2.668 5.409 1.00 0.64 C ATOM 547 O VAL A 46 -10.732 -3.328 5.770 1.00 0.68 O ATOM 548 CB VAL A 46 -12.304 -2.270 3.002 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.566 -3.499 2.490 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.759 -2.599 3.305 1.00 1.52 C ATOM 0 H VAL A 46 -9.532 -2.042 4.366 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.081 -0.752 4.520 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.291 -1.511 2.219 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -12.082 -3.895 1.615 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.547 -3.224 2.217 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.540 -4.259 3.271 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -14.233 -3.008 2.413 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.806 -3.333 4.109 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.281 -1.692 3.610 1.00 1.52 H new ATOM 554 N ASP A 47 -12.897 -2.754 5.998 1.00 0.66 N ATOM 555 CA ASP A 47 -13.133 -3.649 7.128 1.00 0.71 C ATOM 556 C ASP A 47 -12.576 -5.045 6.858 1.00 0.74 C ATOM 557 O ASP A 47 -12.593 -5.525 5.724 1.00 0.81 O ATOM 558 CB ASP A 47 -14.630 -3.736 7.430 1.00 0.75 C ATOM 559 CG ASP A 47 -14.916 -3.830 8.916 1.00 1.35 C ATOM 560 OD1 ASP A 47 -14.417 -4.779 9.558 1.00 1.88 O ATOM 561 OD2 ASP A 47 -15.638 -2.954 9.439 1.00 2.11 O ATOM 0 H ASP A 47 -13.714 -2.214 5.711 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.613 -3.237 7.993 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -15.132 -2.859 7.021 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -15.049 -4.607 6.926 1.00 0.75 H new ATOM 566 N GLU A 48 -12.078 -5.685 7.910 1.00 0.76 N ATOM 567 CA GLU A 48 -11.506 -7.021 7.801 1.00 0.82 C ATOM 568 C GLU A 48 -12.506 -8.007 7.199 1.00 0.79 C ATOM 569 O GLU A 48 -12.167 -8.776 6.300 1.00 0.83 O ATOM 570 CB GLU A 48 -11.054 -7.511 9.178 1.00 0.92 C ATOM 571 CG GLU A 48 -9.582 -7.256 9.461 1.00 1.39 C ATOM 572 CD GLU A 48 -9.101 -7.949 10.721 1.00 1.59 C ATOM 573 OE1 GLU A 48 -8.874 -9.175 10.675 1.00 2.30 O ATOM 574 OE2 GLU A 48 -8.952 -7.263 11.754 1.00 1.81 O ATOM 0 H GLU A 48 -12.059 -5.297 8.853 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.645 -6.965 7.135 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -11.653 -7.019 9.944 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -11.251 -8.580 9.257 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -8.988 -7.599 8.613 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -9.415 -6.183 9.555 1.00 1.39 H new ATOM 581 N ALA A 49 -13.736 -7.981 7.703 1.00 0.86 N ATOM 582 CA ALA A 49 -14.785 -8.876 7.221 1.00 0.89 C ATOM 583 C ALA A 49 -14.917 -8.822 5.702 1.00 0.83 C ATOM 584 O ALA A 49 -14.796 -9.840 5.019 1.00 0.80 O ATOM 585 CB ALA A 49 -16.113 -8.531 7.877 1.00 0.99 C ATOM 0 H ALA A 49 -14.032 -7.349 8.447 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.504 -9.893 7.493 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -16.886 -9.205 7.509 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -16.023 -8.637 8.958 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.382 -7.503 7.634 1.00 0.99 H new ATOM 591 N GLU A 50 -15.173 -7.628 5.184 1.00 0.87 N ATOM 592 CA GLU A 50 -15.331 -7.427 3.746 1.00 0.88 C ATOM 593 C GLU A 50 -14.163 -8.024 2.966 1.00 0.84 C ATOM 594 O GLU A 50 -14.351 -8.899 2.121 1.00 0.85 O ATOM 595 CB GLU A 50 -15.457 -5.935 3.431 1.00 0.98 C ATOM 596 CG GLU A 50 -16.441 -5.205 4.330 1.00 1.52 C ATOM 597 CD GLU A 50 -17.187 -4.102 3.604 1.00 1.54 C ATOM 598 OE1 GLU A 50 -17.934 -4.417 2.654 1.00 1.85 O ATOM 599 OE2 GLU A 50 -17.022 -2.924 3.985 1.00 2.17 O ATOM 0 H GLU A 50 -15.276 -6.779 5.740 1.00 0.87 H new ATOM 0 HA GLU A 50 -16.242 -7.941 3.438 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -14.476 -5.468 3.525 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -15.769 -5.816 2.393 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -17.159 -5.920 4.733 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -15.905 -4.779 5.178 1.00 1.52 H new ATOM 606 N SER A 51 -12.958 -7.543 3.251 1.00 0.87 N ATOM 607 CA SER A 51 -11.760 -8.026 2.572 1.00 0.92 C ATOM 608 C SER A 51 -11.553 -9.518 2.816 1.00 0.84 C ATOM 609 O SER A 51 -11.494 -10.312 1.873 1.00 0.83 O ATOM 610 CB SER A 51 -10.534 -7.245 3.045 1.00 1.04 C ATOM 611 OG SER A 51 -10.179 -6.237 2.114 1.00 1.90 O ATOM 0 H SER A 51 -12.784 -6.819 3.948 1.00 0.87 H new ATOM 0 HA SER A 51 -11.894 -7.870 1.501 1.00 0.92 H new ATOM 0 HB2 SER A 51 -10.740 -6.792 4.015 1.00 1.04 H new ATOM 0 HB3 SER A 51 -9.696 -7.928 3.183 1.00 1.04 H new ATOM 0 HG SER A 51 -9.834 -6.653 1.297 1.00 1.90 H new ATOM 617 N HIS A 52 -11.437 -9.893 4.089 1.00 0.86 N ATOM 618 CA HIS A 52 -11.229 -11.290 4.467 1.00 0.86 C ATOM 619 C HIS A 52 -12.220 -12.206 3.763 1.00 0.83 C ATOM 620 O HIS A 52 -11.876 -13.320 3.374 1.00 0.90 O ATOM 621 CB HIS A 52 -11.349 -11.453 5.982 1.00 0.94 C ATOM 622 CG HIS A 52 -10.218 -10.827 6.728 1.00 0.99 C ATOM 623 ND1 HIS A 52 -8.994 -10.568 6.152 1.00 1.39 N ATOM 624 CD2 HIS A 52 -10.124 -10.405 8.011 1.00 1.61 C ATOM 625 CE1 HIS A 52 -8.197 -10.015 7.044 1.00 1.28 C ATOM 626 NE2 HIS A 52 -8.857 -9.902 8.183 1.00 1.39 N ATOM 0 H HIS A 52 -11.484 -9.248 4.877 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.224 -11.575 4.156 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.287 -11.010 6.316 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -11.394 -12.515 6.225 1.00 0.94 H new ATOM 0 HD2 HIS A 52 -10.901 -10.455 8.760 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -7.176 -9.706 6.873 1.00 1.28 H new ATOM 0 HE2 HIS A 52 -8.487 -9.507 9.047 1.00 1.39 H new ATOM 635 N GLU A 53 -13.445 -11.729 3.590 1.00 0.86 N ATOM 636 CA GLU A 53 -14.470 -12.509 2.913 1.00 0.95 C ATOM 637 C GLU A 53 -14.324 -12.359 1.404 1.00 0.94 C ATOM 638 O GLU A 53 -14.587 -13.289 0.646 1.00 0.95 O ATOM 639 CB GLU A 53 -15.865 -12.058 3.354 1.00 1.10 C ATOM 640 CG GLU A 53 -16.244 -12.528 4.749 1.00 1.68 C ATOM 641 CD GLU A 53 -16.905 -13.893 4.744 1.00 2.38 C ATOM 642 OE1 GLU A 53 -18.095 -13.975 4.376 1.00 3.10 O ATOM 643 OE2 GLU A 53 -16.232 -14.879 5.110 1.00 2.71 O ATOM 0 H GLU A 53 -13.752 -10.810 3.908 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.345 -13.558 3.181 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -15.913 -10.970 3.321 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.601 -12.431 2.642 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -15.350 -12.563 5.372 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -16.920 -11.803 5.202 1.00 1.68 H new ATOM 650 N LEU A 54 -13.893 -11.174 0.986 1.00 0.95 N ATOM 651 CA LEU A 54 -13.696 -10.867 -0.425 1.00 1.00 C ATOM 652 C LEU A 54 -12.677 -11.809 -1.060 1.00 0.89 C ATOM 653 O LEU A 54 -12.957 -12.457 -2.069 1.00 0.93 O ATOM 654 CB LEU A 54 -13.232 -9.409 -0.570 1.00 1.06 C ATOM 655 CG LEU A 54 -12.630 -9.019 -1.927 1.00 1.15 C ATOM 656 CD1 LEU A 54 -11.208 -9.542 -2.062 1.00 1.23 C ATOM 657 CD2 LEU A 54 -13.501 -9.523 -3.069 1.00 1.24 C ATOM 0 H LEU A 54 -13.671 -10.402 1.614 1.00 0.95 H new ATOM 0 HA LEU A 54 -14.644 -11.004 -0.945 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.084 -8.758 -0.374 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -12.491 -9.207 0.204 1.00 1.06 H new ATOM 0 HG LEU A 54 -12.595 -7.931 -1.980 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -10.804 -9.252 -3.032 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -10.589 -9.120 -1.271 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -11.211 -10.629 -1.980 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -13.055 -9.235 -4.021 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -13.576 -10.609 -3.017 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -14.496 -9.086 -2.988 1.00 1.24 H new ATOM 663 N ASN A 55 -11.486 -11.862 -0.477 1.00 0.78 N ATOM 664 CA ASN A 55 -10.417 -12.704 -1.000 1.00 0.71 C ATOM 665 C ASN A 55 -10.723 -14.189 -0.813 1.00 0.69 C ATOM 666 O ASN A 55 -10.420 -15.007 -1.684 1.00 0.74 O ATOM 667 CB ASN A 55 -9.091 -12.350 -0.322 1.00 0.68 C ATOM 668 CG ASN A 55 -9.181 -12.429 1.191 1.00 1.33 C ATOM 669 OD1 ASN A 55 -10.274 -12.446 1.753 1.00 2.28 O ATOM 670 ND2 ASN A 55 -8.033 -12.471 1.860 1.00 1.42 N ATOM 0 H ASN A 55 -11.236 -11.332 0.358 1.00 0.78 H new ATOM 0 HA ASN A 55 -10.339 -12.515 -2.071 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -8.313 -13.028 -0.674 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -8.793 -11.343 -0.614 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.038 -12.519 2.879 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -7.147 -12.455 1.354 1.00 1.42 H new ATOM 675 N LEU A 56 -11.310 -14.536 0.328 1.00 0.71 N ATOM 676 CA LEU A 56 -11.635 -15.928 0.623 1.00 0.79 C ATOM 677 C LEU A 56 -12.823 -16.428 -0.198 1.00 0.87 C ATOM 678 O LEU A 56 -12.954 -17.628 -0.440 1.00 0.97 O ATOM 679 CB LEU A 56 -11.930 -16.106 2.114 1.00 0.84 C ATOM 680 CG LEU A 56 -10.720 -16.482 2.970 1.00 0.89 C ATOM 681 CD1 LEU A 56 -9.767 -15.303 3.097 1.00 0.91 C ATOM 682 CD2 LEU A 56 -11.168 -16.961 4.344 1.00 0.92 C ATOM 0 H LEU A 56 -11.570 -13.876 1.061 1.00 0.71 H new ATOM 0 HA LEU A 56 -10.764 -16.523 0.349 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.355 -15.179 2.499 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -12.692 -16.877 2.229 1.00 0.84 H new ATOM 0 HG LEU A 56 -10.190 -17.297 2.478 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -8.912 -15.590 3.710 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -9.421 -15.007 2.107 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -10.284 -14.466 3.566 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -10.294 -17.225 4.940 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -11.722 -16.166 4.844 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -11.809 -17.836 4.233 1.00 0.92 H new ATOM 688 N THR A 57 -13.695 -15.515 -0.612 1.00 0.93 N ATOM 689 CA THR A 57 -14.873 -15.893 -1.386 1.00 1.09 C ATOM 690 C THR A 57 -14.539 -16.127 -2.857 1.00 1.14 C ATOM 691 O THR A 57 -15.232 -16.879 -3.541 1.00 1.27 O ATOM 692 CB THR A 57 -15.965 -14.823 -1.262 1.00 1.23 C ATOM 693 OG1 THR A 57 -17.202 -15.317 -1.746 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.660 -13.545 -2.017 1.00 1.45 C ATOM 0 H THR A 57 -13.610 -14.516 -0.427 1.00 0.93 H new ATOM 0 HA THR A 57 -15.240 -16.833 -0.974 1.00 1.09 H new ATOM 0 HB THR A 57 -16.012 -14.589 -0.198 1.00 1.23 H new ATOM 0 HG1 THR A 57 -17.888 -14.623 -1.658 1.00 1.51 H new ATOM 0 HG21 THR A 57 -16.478 -12.838 -1.881 1.00 1.45 H new ATOM 0 HG22 THR A 57 -14.736 -13.109 -1.636 1.00 1.45 H new ATOM 0 HG23 THR A 57 -15.546 -13.768 -3.078 1.00 1.45 H new ATOM 699 N TYR A 58 -13.495 -15.468 -3.350 1.00 1.08 N ATOM 700 CA TYR A 58 -13.113 -15.609 -4.752 1.00 1.17 C ATOM 701 C TYR A 58 -11.749 -16.282 -4.927 1.00 1.08 C ATOM 702 O TYR A 58 -11.315 -16.507 -6.057 1.00 1.19 O ATOM 703 CB TYR A 58 -13.129 -14.236 -5.440 1.00 1.25 C ATOM 704 CG TYR A 58 -11.779 -13.550 -5.512 1.00 1.20 C ATOM 705 CD1 TYR A 58 -10.966 -13.451 -4.390 1.00 1.67 C ATOM 706 CD2 TYR A 58 -11.322 -13.003 -6.704 1.00 1.25 C ATOM 707 CE1 TYR A 58 -9.734 -12.825 -4.455 1.00 2.23 C ATOM 708 CE2 TYR A 58 -10.091 -12.377 -6.777 1.00 1.55 C ATOM 709 CZ TYR A 58 -9.302 -12.290 -5.651 1.00 2.11 C ATOM 710 OH TYR A 58 -8.077 -11.669 -5.720 1.00 2.74 O ATOM 0 H TYR A 58 -12.904 -14.838 -2.808 1.00 1.08 H new ATOM 0 HA TYR A 58 -13.847 -16.262 -5.224 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -13.515 -14.356 -6.452 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -13.824 -13.586 -4.909 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -11.301 -13.869 -3.452 1.00 1.67 H new ATOM 0 HD2 TYR A 58 -11.938 -13.068 -7.589 1.00 1.25 H new ATOM 0 HE1 TYR A 58 -9.113 -12.755 -3.574 1.00 2.23 H new ATOM 0 HE2 TYR A 58 -9.750 -11.958 -7.712 1.00 1.55 H new ATOM 0 HH TYR A 58 -7.842 -11.309 -4.839 1.00 2.74 H new ATOM 720 N ARG A 59 -11.066 -16.599 -3.827 1.00 0.99 N ATOM 721 CA ARG A 59 -9.755 -17.236 -3.934 1.00 0.99 C ATOM 722 C ARG A 59 -9.419 -18.114 -2.727 1.00 0.90 C ATOM 723 O ARG A 59 -8.716 -19.115 -2.864 1.00 0.97 O ATOM 724 CB ARG A 59 -8.671 -16.170 -4.111 1.00 1.05 C ATOM 725 CG ARG A 59 -7.278 -16.745 -4.303 1.00 1.58 C ATOM 726 CD ARG A 59 -6.566 -16.934 -2.972 1.00 1.65 C ATOM 727 NE ARG A 59 -5.116 -17.004 -3.133 1.00 2.22 N ATOM 728 CZ ARG A 59 -4.468 -18.091 -3.543 1.00 2.71 C ATOM 729 NH1 ARG A 59 -5.136 -19.201 -3.833 1.00 3.08 N ATOM 730 NH2 ARG A 59 -3.147 -18.070 -3.663 1.00 3.32 N ATOM 0 H ARG A 59 -11.389 -16.430 -2.874 1.00 0.99 H new ATOM 0 HA ARG A 59 -9.791 -17.889 -4.806 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -8.921 -15.549 -4.972 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -8.669 -15.518 -3.238 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -7.346 -17.702 -4.820 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -6.693 -16.080 -4.939 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -6.817 -16.109 -2.306 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -6.923 -17.848 -2.496 1.00 1.65 H new ATOM 0 HE ARG A 59 -4.568 -16.171 -2.919 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -6.152 -19.224 -3.742 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -4.634 -20.031 -4.147 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -2.628 -17.220 -3.441 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -2.650 -18.903 -3.977 1.00 3.32 H new ATOM 744 N GLY A 60 -9.899 -17.734 -1.548 1.00 0.81 N ATOM 745 CA GLY A 60 -9.600 -18.508 -0.353 1.00 0.80 C ATOM 746 C GLY A 60 -8.286 -18.080 0.270 1.00 0.78 C ATOM 747 O GLY A 60 -7.542 -18.901 0.806 1.00 0.88 O ATOM 0 H GLY A 60 -10.484 -16.912 -1.397 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -10.405 -18.386 0.372 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -9.556 -19.567 -0.606 1.00 0.80 H new ATOM 751 N LYS A 61 -7.999 -16.786 0.176 1.00 0.76 N ATOM 752 CA LYS A 61 -6.764 -16.216 0.705 1.00 0.90 C ATOM 753 C LYS A 61 -6.566 -16.541 2.186 1.00 0.95 C ATOM 754 O LYS A 61 -7.257 -17.388 2.750 1.00 1.42 O ATOM 755 CB LYS A 61 -6.762 -14.703 0.488 1.00 1.17 C ATOM 756 CG LYS A 61 -6.100 -14.279 -0.814 1.00 1.31 C ATOM 757 CD LYS A 61 -5.221 -13.052 -0.624 1.00 1.00 C ATOM 758 CE LYS A 61 -3.744 -13.402 -0.717 1.00 1.42 C ATOM 759 NZ LYS A 61 -3.298 -14.238 0.432 1.00 2.13 N ATOM 0 H LYS A 61 -8.614 -16.104 -0.268 1.00 0.76 H new ATOM 0 HA LYS A 61 -5.931 -16.666 0.165 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -7.790 -14.341 0.499 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -6.247 -14.225 1.321 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -5.498 -15.101 -1.201 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -6.866 -14.066 -1.559 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -5.467 -12.307 -1.380 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -5.428 -12.602 0.347 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.555 -13.935 -1.649 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -3.155 -12.485 -0.749 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -2.286 -14.455 0.331 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -3.454 -13.720 1.320 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -3.842 -15.124 0.448 1.00 2.13 H new ATOM 773 N ASP A 62 -5.594 -15.865 2.795 1.00 1.17 N ATOM 774 CA ASP A 62 -5.256 -16.067 4.201 1.00 1.25 C ATOM 775 C ASP A 62 -6.468 -15.931 5.124 1.00 1.66 C ATOM 776 O ASP A 62 -7.614 -15.901 4.679 1.00 2.50 O ATOM 777 CB ASP A 62 -4.167 -15.076 4.619 1.00 1.84 C ATOM 778 CG ASP A 62 -2.950 -15.767 5.203 1.00 2.50 C ATOM 779 OD1 ASP A 62 -3.127 -16.751 5.953 1.00 3.06 O ATOM 780 OD2 ASP A 62 -1.818 -15.325 4.909 1.00 2.95 O ATOM 0 H ASP A 62 -5.020 -15.163 2.328 1.00 1.17 H new ATOM 0 HA ASP A 62 -4.891 -17.089 4.302 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -3.866 -14.485 3.754 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -4.574 -14.381 5.353 1.00 1.84 H new ATOM 785 N ARG A 63 -6.181 -15.854 6.421 1.00 1.71 N ATOM 786 CA ARG A 63 -7.204 -15.728 7.455 1.00 2.49 C ATOM 787 C ARG A 63 -7.256 -14.268 7.943 1.00 2.22 C ATOM 788 O ARG A 63 -6.837 -13.380 7.202 1.00 1.77 O ATOM 789 CB ARG A 63 -6.889 -16.710 8.587 1.00 3.33 C ATOM 790 CG ARG A 63 -6.186 -17.980 8.125 1.00 4.23 C ATOM 791 CD ARG A 63 -6.773 -19.217 8.788 1.00 4.88 C ATOM 792 NE ARG A 63 -7.859 -19.795 8.000 1.00 5.84 N ATOM 793 CZ ARG A 63 -8.772 -20.628 8.495 1.00 6.66 C ATOM 794 NH1 ARG A 63 -8.732 -20.986 9.772 1.00 6.76 N ATOM 795 NH2 ARG A 63 -9.729 -21.105 7.708 1.00 7.66 N ATOM 0 H ARG A 63 -5.229 -15.877 6.786 1.00 1.71 H new ATOM 0 HA ARG A 63 -8.190 -15.977 7.062 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -6.264 -16.209 9.326 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -7.818 -16.982 9.088 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -6.272 -18.071 7.042 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -5.123 -17.913 8.356 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -5.989 -19.961 8.926 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -7.143 -18.956 9.780 1.00 4.88 H new ATOM 0 HE ARG A 63 -7.921 -19.546 7.013 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -7.999 -20.623 10.381 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -9.435 -21.625 10.145 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -9.764 -20.833 6.726 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -10.429 -21.743 8.086 1.00 7.66 H new ATOM 809 N PRO A 64 -7.761 -13.960 9.171 1.00 3.04 N ATOM 810 CA PRO A 64 -7.819 -12.568 9.648 1.00 3.30 C ATOM 811 C PRO A 64 -6.440 -11.922 9.680 1.00 2.79 C ATOM 812 O PRO A 64 -5.806 -11.827 10.730 1.00 3.00 O ATOM 813 CB PRO A 64 -8.389 -12.683 11.065 1.00 4.45 C ATOM 814 CG PRO A 64 -8.143 -14.095 11.449 1.00 4.81 C ATOM 815 CD PRO A 64 -8.307 -14.884 10.185 1.00 4.12 C ATOM 0 HA PRO A 64 -8.422 -11.940 8.992 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -7.895 -11.993 11.749 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -9.453 -12.445 11.086 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -7.143 -14.221 11.864 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -8.849 -14.424 12.212 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -7.757 -15.825 10.217 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -9.351 -15.131 9.991 1.00 4.12 H new ATOM 823 N THR A 65 -5.980 -11.497 8.513 1.00 2.27 N ATOM 824 CA THR A 65 -4.674 -10.876 8.374 1.00 2.01 C ATOM 825 C THR A 65 -4.777 -9.351 8.396 1.00 1.59 C ATOM 826 O THR A 65 -5.325 -8.743 7.477 1.00 1.81 O ATOM 827 CB THR A 65 -4.034 -11.348 7.069 1.00 2.13 C ATOM 828 OG1 THR A 65 -3.815 -12.747 7.096 1.00 2.47 O ATOM 829 CG2 THR A 65 -2.712 -10.688 6.769 1.00 2.82 C ATOM 0 H THR A 65 -6.500 -11.573 7.639 1.00 2.27 H new ATOM 0 HA THR A 65 -4.052 -11.173 9.219 1.00 2.01 H new ATOM 0 HB THR A 65 -4.743 -11.069 6.289 1.00 2.13 H new ATOM 0 HG1 THR A 65 -4.675 -13.211 7.167 1.00 2.47 H new ATOM 0 HG21 THR A 65 -2.318 -11.073 5.828 1.00 2.82 H new ATOM 0 HG22 THR A 65 -2.853 -9.610 6.690 1.00 2.82 H new ATOM 0 HG23 THR A 65 -2.007 -10.903 7.572 1.00 2.82 H new ATOM 834 N ASN A 66 -4.237 -8.739 9.447 1.00 1.36 N ATOM 835 CA ASN A 66 -4.260 -7.285 9.584 1.00 1.09 C ATOM 836 C ASN A 66 -3.658 -6.617 8.351 1.00 0.83 C ATOM 837 O ASN A 66 -4.138 -5.577 7.899 1.00 1.09 O ATOM 838 CB ASN A 66 -3.494 -6.858 10.838 1.00 1.37 C ATOM 839 CG ASN A 66 -2.026 -7.232 10.775 1.00 1.54 C ATOM 840 OD1 ASN A 66 -1.676 -8.409 10.693 1.00 2.36 O ATOM 841 ND2 ASN A 66 -1.159 -6.227 10.814 1.00 1.35 N ATOM 0 H ASN A 66 -3.778 -9.227 10.216 1.00 1.36 H new ATOM 0 HA ASN A 66 -5.298 -6.967 9.678 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -3.586 -5.780 10.967 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -3.947 -7.323 11.713 1.00 1.37 H new ATOM 0 HD21 ASN A 66 -0.157 -6.416 10.776 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -1.495 -5.266 10.882 1.00 1.35 H new ATOM 846 N VAL A 67 -2.608 -7.226 7.810 1.00 0.71 N ATOM 847 CA VAL A 67 -1.944 -6.698 6.625 1.00 0.79 C ATOM 848 C VAL A 67 -1.937 -7.730 5.504 1.00 0.79 C ATOM 849 O VAL A 67 -0.897 -8.296 5.167 1.00 0.81 O ATOM 850 CB VAL A 67 -0.496 -6.267 6.931 1.00 1.12 C ATOM 851 CG1 VAL A 67 -0.482 -5.103 7.911 1.00 1.59 C ATOM 852 CG2 VAL A 67 0.312 -7.439 7.469 1.00 1.51 C ATOM 0 H VAL A 67 -2.199 -8.086 8.174 1.00 0.71 H new ATOM 0 HA VAL A 67 -2.508 -5.821 6.307 1.00 0.79 H new ATOM 0 HB VAL A 67 -0.032 -5.936 6.002 1.00 1.12 H new ATOM 0 HG11 VAL A 67 0.548 -4.812 8.116 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -1.019 -4.258 7.480 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -0.965 -5.404 8.840 1.00 1.59 H new ATOM 0 HG21 VAL A 67 1.331 -7.113 7.678 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -0.147 -7.807 8.387 1.00 1.51 H new ATOM 0 HG23 VAL A 67 0.332 -8.238 6.728 1.00 1.51 H new ATOM 856 N LEU A 68 -3.110 -7.967 4.930 1.00 0.86 N ATOM 857 CA LEU A 68 -3.257 -8.928 3.847 1.00 0.89 C ATOM 858 C LEU A 68 -2.833 -8.308 2.517 1.00 0.81 C ATOM 859 O LEU A 68 -3.445 -7.352 2.040 1.00 0.75 O ATOM 860 CB LEU A 68 -4.712 -9.414 3.783 1.00 0.99 C ATOM 861 CG LEU A 68 -5.144 -10.066 2.467 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.565 -11.468 2.346 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.660 -10.104 2.377 1.00 1.10 C ATOM 0 H LEU A 68 -3.978 -7.503 5.199 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.608 -9.783 4.039 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.871 -10.130 4.590 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.367 -8.565 3.977 1.00 0.99 H new ATOM 0 HG LEU A 68 -4.759 -9.469 1.640 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.884 -11.913 1.404 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.477 -11.416 2.372 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -4.919 -12.081 3.175 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -6.957 -10.570 1.437 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -7.060 -10.682 3.210 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -7.053 -9.088 2.419 1.00 1.10 H new ATOM 869 N SER A 69 -1.779 -8.860 1.924 1.00 0.96 N ATOM 870 CA SER A 69 -1.269 -8.363 0.652 1.00 0.97 C ATOM 871 C SER A 69 -1.949 -9.060 -0.521 1.00 0.86 C ATOM 872 O SER A 69 -2.595 -10.093 -0.352 1.00 0.89 O ATOM 873 CB SER A 69 0.245 -8.566 0.571 1.00 1.18 C ATOM 874 OG SER A 69 0.840 -7.626 -0.307 1.00 1.85 O ATOM 0 H SER A 69 -1.262 -9.652 2.305 1.00 0.96 H new ATOM 0 HA SER A 69 -1.491 -7.297 0.595 1.00 0.97 H new ATOM 0 HB2 SER A 69 0.682 -8.467 1.565 1.00 1.18 H new ATOM 0 HB3 SER A 69 0.461 -9.577 0.227 1.00 1.18 H new ATOM 0 HG SER A 69 1.815 -7.669 -0.220 1.00 1.85 H new ATOM 880 N PHE A 70 -1.797 -8.486 -1.710 1.00 0.81 N ATOM 881 CA PHE A 70 -2.396 -9.052 -2.913 1.00 0.82 C ATOM 882 C PHE A 70 -1.460 -8.894 -4.111 1.00 0.91 C ATOM 883 O PHE A 70 -1.707 -8.080 -5.001 1.00 1.03 O ATOM 884 CB PHE A 70 -3.741 -8.378 -3.200 1.00 0.89 C ATOM 885 CG PHE A 70 -4.924 -9.279 -2.984 1.00 0.96 C ATOM 886 CD1 PHE A 70 -5.148 -10.362 -3.818 1.00 1.16 C ATOM 887 CD2 PHE A 70 -5.812 -9.039 -1.949 1.00 1.81 C ATOM 888 CE1 PHE A 70 -6.236 -11.191 -3.623 1.00 1.33 C ATOM 889 CE2 PHE A 70 -6.903 -9.864 -1.748 1.00 2.03 C ATOM 890 CZ PHE A 70 -7.115 -10.941 -2.587 1.00 1.48 C ATOM 0 H PHE A 70 -1.265 -7.630 -1.866 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.562 -10.116 -2.746 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -3.842 -7.501 -2.561 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -3.748 -8.024 -4.231 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -4.464 -10.561 -4.630 1.00 1.16 H new ATOM 0 HD2 PHE A 70 -5.650 -8.198 -1.291 1.00 1.81 H new ATOM 0 HE1 PHE A 70 -6.399 -12.033 -4.279 1.00 1.33 H new ATOM 0 HE2 PHE A 70 -7.588 -9.667 -0.937 1.00 2.03 H new ATOM 0 HZ PHE A 70 -7.967 -11.587 -2.433 1.00 1.48 H new ATOM 900 N PRO A 71 -0.368 -9.676 -4.150 1.00 0.95 N ATOM 901 CA PRO A 71 0.602 -9.619 -5.246 1.00 1.11 C ATOM 902 C PRO A 71 0.080 -10.293 -6.509 1.00 1.11 C ATOM 903 O PRO A 71 -0.527 -11.362 -6.446 1.00 1.14 O ATOM 904 CB PRO A 71 1.800 -10.384 -4.689 1.00 1.18 C ATOM 905 CG PRO A 71 1.202 -11.367 -3.745 1.00 1.13 C ATOM 906 CD PRO A 71 0.010 -10.678 -3.133 1.00 0.95 C ATOM 0 HA PRO A 71 0.831 -8.595 -5.542 1.00 1.11 H new ATOM 0 HB2 PRO A 71 2.357 -10.882 -5.482 1.00 1.18 H new ATOM 0 HB3 PRO A 71 2.496 -9.717 -4.181 1.00 1.18 H new ATOM 0 HG2 PRO A 71 0.903 -12.277 -4.266 1.00 1.13 H new ATOM 0 HG3 PRO A 71 1.920 -11.660 -2.979 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -0.802 -11.378 -2.938 1.00 0.95 H new ATOM 0 HD3 PRO A 71 0.262 -10.209 -2.182 1.00 0.95 H new ATOM 914 N PHE A 72 0.317 -9.665 -7.656 1.00 1.22 N ATOM 915 CA PHE A 72 -0.134 -10.212 -8.929 1.00 1.28 C ATOM 916 C PHE A 72 0.503 -11.578 -9.184 1.00 1.36 C ATOM 917 O PHE A 72 1.385 -12.010 -8.442 1.00 1.47 O ATOM 918 CB PHE A 72 0.179 -9.227 -10.069 1.00 1.36 C ATOM 919 CG PHE A 72 1.238 -9.693 -11.032 1.00 1.05 C ATOM 920 CD1 PHE A 72 2.577 -9.440 -10.786 1.00 1.38 C ATOM 921 CD2 PHE A 72 0.889 -10.376 -12.186 1.00 1.65 C ATOM 922 CE1 PHE A 72 3.550 -9.863 -11.674 1.00 1.46 C ATOM 923 CE2 PHE A 72 1.857 -10.801 -13.077 1.00 1.83 C ATOM 924 CZ PHE A 72 3.189 -10.543 -12.820 1.00 1.39 C ATOM 0 H PHE A 72 0.817 -8.779 -7.730 1.00 1.22 H new ATOM 0 HA PHE A 72 -1.214 -10.354 -8.889 1.00 1.28 H new ATOM 0 HB2 PHE A 72 -0.738 -9.033 -10.625 1.00 1.36 H new ATOM 0 HB3 PHE A 72 0.495 -8.279 -9.635 1.00 1.36 H new ATOM 0 HD1 PHE A 72 2.865 -8.907 -9.892 1.00 1.38 H new ATOM 0 HD2 PHE A 72 -0.152 -10.579 -12.392 1.00 1.65 H new ATOM 0 HE1 PHE A 72 4.591 -9.661 -11.471 1.00 1.46 H new ATOM 0 HE2 PHE A 72 1.572 -11.334 -13.972 1.00 1.83 H new ATOM 0 HZ PHE A 72 3.947 -10.873 -13.515 1.00 1.39 H new ATOM 934 N GLU A 73 0.047 -12.252 -10.235 1.00 1.56 N ATOM 935 CA GLU A 73 0.567 -13.569 -10.587 1.00 1.67 C ATOM 936 C GLU A 73 2.090 -13.555 -10.691 1.00 1.31 C ATOM 937 O GLU A 73 2.654 -13.024 -11.648 1.00 1.43 O ATOM 938 CB GLU A 73 -0.045 -14.043 -11.908 1.00 2.21 C ATOM 939 CG GLU A 73 -0.742 -15.390 -11.806 1.00 2.25 C ATOM 940 CD GLU A 73 0.091 -16.522 -12.374 1.00 2.36 C ATOM 941 OE1 GLU A 73 0.791 -16.296 -13.383 1.00 2.62 O ATOM 942 OE2 GLU A 73 0.044 -17.635 -11.809 1.00 2.89 O ATOM 0 H GLU A 73 -0.683 -11.907 -10.859 1.00 1.56 H new ATOM 0 HA GLU A 73 0.289 -14.262 -9.793 1.00 1.67 H new ATOM 0 HB2 GLU A 73 -0.761 -13.298 -12.255 1.00 2.21 H new ATOM 0 HB3 GLU A 73 0.740 -14.106 -12.661 1.00 2.21 H new ATOM 0 HG2 GLU A 73 -0.968 -15.600 -10.761 1.00 2.25 H new ATOM 0 HG3 GLU A 73 -1.694 -15.343 -12.335 1.00 2.25 H new ATOM 949 N CYS A 74 2.750 -14.147 -9.699 1.00 1.48 N ATOM 950 CA CYS A 74 4.207 -14.210 -9.676 1.00 1.68 C ATOM 951 C CYS A 74 4.691 -15.616 -10.029 1.00 1.76 C ATOM 952 O CYS A 74 4.637 -16.523 -9.197 1.00 2.31 O ATOM 953 CB CYS A 74 4.734 -13.808 -8.297 1.00 2.63 C ATOM 954 SG CYS A 74 4.038 -14.769 -6.933 1.00 3.95 S ATOM 0 H CYS A 74 2.297 -14.590 -8.900 1.00 1.48 H new ATOM 0 HA CYS A 74 4.591 -13.512 -10.420 1.00 1.68 H new ATOM 0 HB2 CYS A 74 5.818 -13.917 -8.288 1.00 2.63 H new ATOM 0 HB3 CYS A 74 4.519 -12.752 -8.131 1.00 2.63 H new ATOM 0 HG CYS A 74 3.983 -16.023 -7.270 1.00 3.95 H new ATOM 960 N PRO A 75 5.164 -15.824 -11.272 1.00 1.68 N ATOM 961 CA PRO A 75 5.646 -17.133 -11.720 1.00 2.01 C ATOM 962 C PRO A 75 6.937 -17.562 -11.013 1.00 2.43 C ATOM 963 O PRO A 75 6.886 -18.149 -9.932 1.00 3.08 O ATOM 964 CB PRO A 75 5.867 -16.936 -13.225 1.00 2.13 C ATOM 965 CG PRO A 75 6.102 -15.474 -13.384 1.00 2.21 C ATOM 966 CD PRO A 75 5.260 -14.805 -12.334 1.00 1.89 C ATOM 0 HA PRO A 75 4.940 -17.931 -11.490 1.00 2.01 H new ATOM 0 HB2 PRO A 75 6.720 -17.515 -13.579 1.00 2.13 H new ATOM 0 HB3 PRO A 75 5.000 -17.262 -13.799 1.00 2.13 H new ATOM 0 HG2 PRO A 75 7.156 -15.231 -13.252 1.00 2.21 H new ATOM 0 HG3 PRO A 75 5.820 -15.139 -14.382 1.00 2.21 H new ATOM 0 HD2 PRO A 75 5.724 -13.888 -11.970 1.00 1.89 H new ATOM 0 HD3 PRO A 75 4.278 -14.533 -12.720 1.00 1.89 H new ATOM 974 N ASP A 76 8.091 -17.274 -11.617 1.00 2.55 N ATOM 975 CA ASP A 76 9.371 -17.644 -11.021 1.00 3.28 C ATOM 976 C ASP A 76 10.247 -16.416 -10.783 1.00 3.54 C ATOM 977 O ASP A 76 10.288 -15.877 -9.677 1.00 4.33 O ATOM 978 CB ASP A 76 10.102 -18.648 -11.918 1.00 3.70 C ATOM 979 CG ASP A 76 9.458 -20.020 -11.896 1.00 4.37 C ATOM 980 OD1 ASP A 76 9.747 -20.797 -10.962 1.00 4.93 O ATOM 981 OD2 ASP A 76 8.664 -20.317 -12.812 1.00 4.70 O ATOM 0 H ASP A 76 8.164 -16.789 -12.512 1.00 2.55 H new ATOM 0 HA ASP A 76 9.171 -18.108 -10.055 1.00 3.28 H new ATOM 0 HB2 ASP A 76 10.116 -18.273 -12.941 1.00 3.70 H new ATOM 0 HB3 ASP A 76 11.140 -18.732 -11.594 1.00 3.70 H new ATOM 986 N GLU A 77 10.949 -15.982 -11.826 1.00 3.34 N ATOM 987 CA GLU A 77 11.828 -14.822 -11.728 1.00 4.10 C ATOM 988 C GLU A 77 11.544 -13.826 -12.847 1.00 4.12 C ATOM 989 O GLU A 77 12.142 -13.896 -13.921 1.00 4.72 O ATOM 990 CB GLU A 77 13.293 -15.261 -11.781 1.00 4.59 C ATOM 991 CG GLU A 77 14.244 -14.289 -11.101 1.00 5.37 C ATOM 992 CD GLU A 77 15.055 -13.477 -12.091 1.00 6.17 C ATOM 993 OE1 GLU A 77 14.534 -13.186 -13.188 1.00 6.39 O ATOM 994 OE2 GLU A 77 16.211 -13.131 -11.770 1.00 6.84 O ATOM 0 H GLU A 77 10.926 -16.416 -12.749 1.00 3.34 H new ATOM 0 HA GLU A 77 11.636 -14.332 -10.773 1.00 4.10 H new ATOM 0 HB2 GLU A 77 13.388 -16.239 -11.309 1.00 4.59 H new ATOM 0 HB3 GLU A 77 13.591 -15.379 -12.823 1.00 4.59 H new ATOM 0 HG2 GLU A 77 13.673 -13.613 -10.464 1.00 5.37 H new ATOM 0 HG3 GLU A 77 14.921 -14.844 -10.451 1.00 5.37 H new ATOM 1001 N VAL A 78 10.629 -12.901 -12.588 1.00 3.88 N ATOM 1002 CA VAL A 78 10.265 -11.887 -13.569 1.00 4.32 C ATOM 1003 C VAL A 78 10.860 -10.533 -13.196 1.00 4.59 C ATOM 1004 O VAL A 78 10.826 -10.130 -12.033 1.00 4.66 O ATOM 1005 CB VAL A 78 8.735 -11.757 -13.699 1.00 4.22 C ATOM 1006 CG1 VAL A 78 8.172 -12.899 -14.531 1.00 3.62 C ATOM 1007 CG2 VAL A 78 8.082 -11.714 -12.326 1.00 4.61 C ATOM 0 H VAL A 78 10.124 -12.832 -11.704 1.00 3.88 H new ATOM 0 HA VAL A 78 10.672 -12.205 -14.529 1.00 4.32 H new ATOM 0 HB VAL A 78 8.511 -10.821 -14.210 1.00 4.22 H new ATOM 0 HG11 VAL A 78 7.090 -12.791 -14.612 1.00 3.62 H new ATOM 0 HG12 VAL A 78 8.615 -12.876 -15.527 1.00 3.62 H new ATOM 0 HG13 VAL A 78 8.407 -13.849 -14.051 1.00 3.62 H new ATOM 0 HG21 VAL A 78 7.002 -11.622 -12.440 1.00 4.61 H new ATOM 0 HG22 VAL A 78 8.313 -12.631 -11.784 1.00 4.61 H new ATOM 0 HG23 VAL A 78 8.462 -10.858 -11.769 1.00 4.61 H new ATOM 1011 N GLU A 79 11.418 -9.837 -14.184 1.00 5.02 N ATOM 1012 CA GLU A 79 12.034 -8.535 -13.947 1.00 5.37 C ATOM 1013 C GLU A 79 11.204 -7.398 -14.538 1.00 4.83 C ATOM 1014 O GLU A 79 11.333 -7.068 -15.717 1.00 5.25 O ATOM 1015 CB GLU A 79 13.445 -8.505 -14.536 1.00 6.47 C ATOM 1016 CG GLU A 79 14.509 -9.048 -13.597 1.00 7.05 C ATOM 1017 CD GLU A 79 15.915 -8.812 -14.110 1.00 7.91 C ATOM 1018 OE1 GLU A 79 16.162 -7.737 -14.696 1.00 8.58 O ATOM 1019 OE2 GLU A 79 16.771 -9.704 -13.929 1.00 8.13 O ATOM 0 H GLU A 79 11.456 -10.152 -15.153 1.00 5.02 H new ATOM 0 HA GLU A 79 12.084 -8.388 -12.868 1.00 5.37 H new ATOM 0 HB2 GLU A 79 13.457 -9.085 -15.459 1.00 6.47 H new ATOM 0 HB3 GLU A 79 13.697 -7.478 -14.802 1.00 6.47 H new ATOM 0 HG2 GLU A 79 14.399 -8.578 -12.619 1.00 7.05 H new ATOM 0 HG3 GLU A 79 14.352 -10.117 -13.456 1.00 7.05 H new ATOM 1026 N LEU A 80 10.365 -6.790 -13.703 1.00 4.12 N ATOM 1027 CA LEU A 80 9.527 -5.672 -14.131 1.00 3.69 C ATOM 1028 C LEU A 80 9.030 -4.880 -12.924 1.00 3.19 C ATOM 1029 O LEU A 80 8.734 -5.454 -11.877 1.00 2.62 O ATOM 1030 CB LEU A 80 8.333 -6.152 -14.968 1.00 3.48 C ATOM 1031 CG LEU A 80 7.754 -7.521 -14.599 1.00 3.52 C ATOM 1032 CD1 LEU A 80 8.628 -8.635 -15.146 1.00 4.01 C ATOM 1033 CD2 LEU A 80 7.589 -7.655 -13.092 1.00 3.62 C ATOM 0 H LEU A 80 10.247 -7.053 -12.725 1.00 4.12 H new ATOM 0 HA LEU A 80 10.142 -5.024 -14.755 1.00 3.69 H new ATOM 0 HB2 LEU A 80 7.538 -5.411 -14.887 1.00 3.48 H new ATOM 0 HB3 LEU A 80 8.637 -6.180 -16.014 1.00 3.48 H new ATOM 0 HG LEU A 80 6.767 -7.605 -15.053 1.00 3.52 H new ATOM 0 HD11 LEU A 80 8.200 -9.600 -14.874 1.00 4.01 H new ATOM 0 HD12 LEU A 80 8.682 -8.555 -16.232 1.00 4.01 H new ATOM 0 HD13 LEU A 80 9.630 -8.551 -14.726 1.00 4.01 H new ATOM 0 HD21 LEU A 80 7.176 -8.636 -12.857 1.00 3.62 H new ATOM 0 HD22 LEU A 80 8.560 -7.544 -12.608 1.00 3.62 H new ATOM 0 HD23 LEU A 80 6.913 -6.881 -12.730 1.00 3.62 H new ATOM 1039 N PRO A 81 8.935 -3.545 -13.054 1.00 3.80 N ATOM 1040 CA PRO A 81 8.471 -2.677 -11.965 1.00 3.74 C ATOM 1041 C PRO A 81 7.033 -2.978 -11.562 1.00 2.98 C ATOM 1042 O PRO A 81 6.130 -2.953 -12.399 1.00 3.21 O ATOM 1043 CB PRO A 81 8.574 -1.265 -12.555 1.00 4.99 C ATOM 1044 CG PRO A 81 8.593 -1.460 -14.032 1.00 5.53 C ATOM 1045 CD PRO A 81 9.271 -2.779 -14.265 1.00 4.94 C ATOM 0 HA PRO A 81 9.060 -2.815 -11.059 1.00 3.74 H new ATOM 0 HB2 PRO A 81 7.729 -0.648 -12.250 1.00 4.99 H new ATOM 0 HB3 PRO A 81 9.477 -0.760 -12.213 1.00 4.99 H new ATOM 0 HG2 PRO A 81 7.582 -1.464 -14.438 1.00 5.53 H new ATOM 0 HG3 PRO A 81 9.132 -0.651 -14.526 1.00 5.53 H new ATOM 0 HD2 PRO A 81 8.902 -3.268 -15.167 1.00 4.94 H new ATOM 0 HD3 PRO A 81 10.348 -2.663 -14.383 1.00 4.94 H new ATOM 1053 N LEU A 82 6.821 -3.264 -10.278 1.00 2.52 N ATOM 1054 CA LEU A 82 5.483 -3.574 -9.780 1.00 1.87 C ATOM 1055 C LEU A 82 5.491 -3.864 -8.282 1.00 1.58 C ATOM 1056 O LEU A 82 6.506 -4.274 -7.718 1.00 2.06 O ATOM 1057 CB LEU A 82 4.906 -4.783 -10.529 1.00 1.92 C ATOM 1058 CG LEU A 82 5.237 -6.147 -9.915 1.00 1.91 C ATOM 1059 CD1 LEU A 82 4.688 -7.269 -10.777 1.00 2.25 C ATOM 1060 CD2 LEU A 82 6.739 -6.299 -9.726 1.00 2.10 C ATOM 0 H LEU A 82 7.553 -3.287 -9.569 1.00 2.52 H new ATOM 0 HA LEU A 82 4.859 -2.698 -9.955 1.00 1.87 H new ATOM 0 HB2 LEU A 82 3.822 -4.677 -10.577 1.00 1.92 H new ATOM 0 HB3 LEU A 82 5.274 -4.765 -11.555 1.00 1.92 H new ATOM 0 HG LEU A 82 4.762 -6.206 -8.936 1.00 1.91 H new ATOM 0 HD11 LEU A 82 4.934 -8.229 -10.324 1.00 2.25 H new ATOM 0 HD12 LEU A 82 3.605 -7.171 -10.855 1.00 2.25 H new ATOM 0 HD13 LEU A 82 5.130 -7.213 -11.772 1.00 2.25 H new ATOM 0 HD21 LEU A 82 6.954 -7.274 -9.289 1.00 2.10 H new ATOM 0 HD22 LEU A 82 7.237 -6.217 -10.692 1.00 2.10 H new ATOM 0 HD23 LEU A 82 7.103 -5.515 -9.062 1.00 2.10 H new ATOM 1066 N LEU A 83 4.336 -3.675 -7.655 1.00 1.15 N ATOM 1067 CA LEU A 83 4.174 -3.942 -6.231 1.00 1.18 C ATOM 1068 C LEU A 83 2.995 -4.878 -6.008 1.00 1.05 C ATOM 1069 O LEU A 83 3.041 -5.766 -5.156 1.00 1.39 O ATOM 1070 CB LEU A 83 3.959 -2.639 -5.453 1.00 1.20 C ATOM 1071 CG LEU A 83 3.405 -2.798 -4.025 1.00 2.03 C ATOM 1072 CD1 LEU A 83 1.891 -2.958 -4.037 1.00 3.13 C ATOM 1073 CD2 LEU A 83 4.057 -3.978 -3.319 1.00 2.48 C ATOM 0 H LEU A 83 3.491 -3.335 -8.115 1.00 1.15 H new ATOM 0 HA LEU A 83 5.085 -4.416 -5.865 1.00 1.18 H new ATOM 0 HB2 LEU A 83 4.910 -2.109 -5.397 1.00 1.20 H new ATOM 0 HB3 LEU A 83 3.275 -2.007 -6.020 1.00 1.20 H new ATOM 0 HG LEU A 83 3.646 -1.889 -3.474 1.00 2.03 H new ATOM 0 HD11 LEU A 83 1.529 -3.068 -3.015 1.00 3.13 H new ATOM 0 HD12 LEU A 83 1.436 -2.078 -4.490 1.00 3.13 H new ATOM 0 HD13 LEU A 83 1.623 -3.843 -4.614 1.00 3.13 H new ATOM 0 HD21 LEU A 83 3.650 -4.070 -2.312 1.00 2.48 H new ATOM 0 HD22 LEU A 83 3.856 -4.892 -3.877 1.00 2.48 H new ATOM 0 HD23 LEU A 83 5.134 -3.818 -3.261 1.00 2.48 H new ATOM 1079 N GLY A 84 1.933 -4.665 -6.778 1.00 0.86 N ATOM 1080 CA GLY A 84 0.748 -5.491 -6.648 1.00 1.17 C ATOM 1081 C GLY A 84 -0.377 -4.778 -5.920 1.00 1.02 C ATOM 1082 O GLY A 84 -0.496 -3.554 -5.997 1.00 0.95 O ATOM 0 H GLY A 84 1.872 -3.936 -7.489 1.00 0.86 H new ATOM 0 HA2 GLY A 84 0.405 -5.788 -7.639 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.003 -6.405 -6.111 1.00 1.17 H new ATOM 1086 N ASP A 85 -1.208 -5.543 -5.216 1.00 1.00 N ATOM 1087 CA ASP A 85 -2.331 -4.970 -4.479 1.00 0.88 C ATOM 1088 C ASP A 85 -2.141 -5.115 -2.970 1.00 0.82 C ATOM 1089 O ASP A 85 -1.329 -5.916 -2.506 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.641 -5.633 -4.913 1.00 0.86 C ATOM 1091 CG ASP A 85 -4.612 -4.643 -5.528 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -4.458 -4.329 -6.727 1.00 2.12 O ATOM 1093 OD2 ASP A 85 -5.526 -4.184 -4.811 1.00 2.17 O ATOM 0 H ASP A 85 -1.126 -6.557 -5.140 1.00 1.00 H new ATOM 0 HA ASP A 85 -2.375 -3.906 -4.710 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -3.425 -6.422 -5.634 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -4.108 -6.108 -4.050 1.00 0.86 H new ATOM 1098 N LEU A 86 -2.896 -4.322 -2.212 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.818 -4.339 -0.754 1.00 0.69 C ATOM 1100 C LEU A 86 -4.213 -4.327 -0.132 1.00 0.60 C ATOM 1101 O LEU A 86 -5.130 -3.695 -0.654 1.00 0.71 O ATOM 1102 CB LEU A 86 -2.032 -3.118 -0.271 1.00 0.82 C ATOM 1103 CG LEU A 86 -1.135 -3.336 0.948 1.00 0.94 C ATOM 1104 CD1 LEU A 86 -0.443 -2.035 1.321 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -1.941 -3.864 2.124 1.00 1.10 C ATOM 0 H LEU A 86 -3.572 -3.656 -2.587 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.311 -5.253 -0.446 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.412 -2.761 -1.094 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.741 -2.324 -0.038 1.00 0.82 H new ATOM 0 HG LEU A 86 -0.379 -4.080 0.695 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.194 -2.198 2.190 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.166 -1.694 0.484 1.00 1.41 H new ATOM 0 HD13 LEU A 86 -1.192 -1.279 1.557 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -1.282 -4.012 2.980 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -2.718 -3.146 2.384 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -2.401 -4.814 1.852 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.363 -5.024 0.989 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.640 -5.085 1.690 1.00 0.59 C ATOM 1113 C VAL A 87 -5.441 -4.870 3.190 1.00 0.66 C ATOM 1114 O VAL A 87 -5.028 -5.780 3.907 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.347 -6.437 1.440 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -7.461 -6.675 2.452 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.892 -6.493 0.021 1.00 1.15 C ATOM 0 H VAL A 87 -3.614 -5.556 1.432 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.272 -4.288 1.299 1.00 0.59 H new ATOM 0 HB VAL A 87 -5.611 -7.231 1.565 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -7.938 -7.634 2.249 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -7.043 -6.684 3.458 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.200 -5.878 2.374 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -7.387 -7.450 -0.141 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -7.608 -5.685 -0.126 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -6.072 -6.384 -0.688 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.730 -3.655 3.656 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.574 -3.321 5.069 1.00 0.66 C ATOM 1123 C ILE A 88 -6.909 -2.955 5.709 1.00 0.74 C ATOM 1124 O ILE A 88 -7.852 -2.554 5.024 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.589 -2.147 5.263 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -3.221 -2.495 4.673 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.458 -1.793 6.738 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -2.647 -1.402 3.799 1.00 1.94 C ATOM 0 H ILE A 88 -6.072 -2.889 3.076 1.00 0.57 H new ATOM 0 HA ILE A 88 -5.176 -4.211 5.556 1.00 0.66 H new ATOM 0 HB ILE A 88 -4.983 -1.278 4.736 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -2.525 -2.703 5.486 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -3.309 -3.410 4.087 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.760 -0.964 6.853 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.433 -1.503 7.131 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -4.088 -2.658 7.288 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -1.677 -1.716 3.414 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -3.323 -1.210 2.966 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -2.527 -0.492 4.386 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.975 -3.084 7.032 1.00 0.79 N ATOM 1133 CA CYS A 89 -8.184 -2.756 7.777 1.00 0.89 C ATOM 1134 C CYS A 89 -8.064 -1.368 8.396 1.00 0.78 C ATOM 1135 O CYS A 89 -7.454 -1.198 9.452 1.00 0.73 O ATOM 1136 CB CYS A 89 -8.436 -3.798 8.870 1.00 1.12 C ATOM 1137 SG CYS A 89 -7.032 -4.056 9.980 1.00 1.32 S ATOM 0 H CYS A 89 -6.202 -3.414 7.610 1.00 0.79 H new ATOM 0 HA CYS A 89 -9.027 -2.761 7.087 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -9.300 -3.490 9.459 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -8.693 -4.747 8.400 1.00 1.12 H new ATOM 0 HG CYS A 89 -7.341 -4.952 10.870 1.00 1.32 H new ATOM 1143 N ARG A 90 -8.640 -0.378 7.725 1.00 0.91 N ATOM 1144 CA ARG A 90 -8.592 1.006 8.194 1.00 0.91 C ATOM 1145 C ARG A 90 -8.904 1.115 9.687 1.00 0.81 C ATOM 1146 O ARG A 90 -8.441 2.032 10.360 1.00 0.99 O ATOM 1147 CB ARG A 90 -9.581 1.863 7.401 1.00 1.14 C ATOM 1148 CG ARG A 90 -10.971 1.253 7.301 1.00 2.09 C ATOM 1149 CD ARG A 90 -11.850 1.674 8.468 1.00 2.56 C ATOM 1150 NE ARG A 90 -12.850 0.660 8.793 1.00 3.28 N ATOM 1151 CZ ARG A 90 -13.953 0.905 9.497 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -14.201 2.128 9.951 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -14.810 -0.075 9.748 1.00 5.12 N ATOM 0 H ARG A 90 -9.149 -0.506 6.850 1.00 0.91 H new ATOM 0 HA ARG A 90 -7.576 1.369 8.036 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -9.657 2.844 7.870 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -9.189 2.020 6.396 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -11.437 1.559 6.364 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -10.892 0.166 7.278 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -11.227 1.862 9.342 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -12.350 2.612 8.226 1.00 2.56 H new ATOM 0 HE ARG A 90 -12.694 -0.292 8.461 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -13.545 2.885 9.761 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -15.048 2.310 10.490 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -14.624 -1.016 9.402 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -15.655 0.112 10.287 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.707 0.188 10.192 1.00 0.66 N ATOM 1168 CA GLN A 91 -10.102 0.194 11.598 1.00 0.63 C ATOM 1169 C GLN A 91 -8.907 0.360 12.545 1.00 0.58 C ATOM 1170 O GLN A 91 -8.975 1.131 13.502 1.00 0.58 O ATOM 1171 CB GLN A 91 -10.867 -1.089 11.938 1.00 0.69 C ATOM 1172 CG GLN A 91 -12.364 -0.877 12.105 1.00 0.83 C ATOM 1173 CD GLN A 91 -13.003 -1.920 13.000 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -12.540 -2.168 14.113 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -14.075 -2.537 12.516 1.00 1.12 N ATOM 0 H GLN A 91 -10.100 -0.581 9.649 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.750 1.058 11.743 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -10.698 -1.823 11.150 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -10.463 -1.510 12.858 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -12.543 0.114 12.523 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -12.842 -0.901 11.126 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -14.424 -2.299 11.588 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -14.549 -3.248 13.073 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.823 -0.372 12.295 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.649 -0.298 13.162 1.00 0.60 C ATOM 1184 C VAL A 92 -5.723 0.864 12.800 1.00 0.55 C ATOM 1185 O VAL A 92 -5.303 1.624 13.674 1.00 0.65 O ATOM 1186 CB VAL A 92 -5.844 -1.615 13.137 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -5.250 -1.867 11.759 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -4.754 -1.595 14.198 1.00 1.68 C ATOM 0 H VAL A 92 -7.733 -1.016 11.509 1.00 0.58 H new ATOM 0 HA VAL A 92 -7.033 -0.127 14.167 1.00 0.60 H new ATOM 0 HB VAL A 92 -6.528 -2.434 13.361 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -4.688 -2.801 11.770 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -6.052 -1.935 11.024 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -4.584 -1.046 11.494 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -4.197 -2.531 14.165 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -4.076 -0.763 14.008 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -5.207 -1.476 15.182 1.00 1.68 H new ATOM 1192 N VAL A 93 -5.397 0.995 11.519 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.507 2.063 11.074 1.00 0.49 C ATOM 1194 C VAL A 93 -5.163 3.432 11.242 1.00 0.54 C ATOM 1195 O VAL A 93 -4.541 4.369 11.745 1.00 0.61 O ATOM 1196 CB VAL A 93 -4.056 1.862 9.609 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.680 0.409 9.365 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -5.132 2.304 8.629 1.00 0.69 C ATOM 0 H VAL A 93 -5.732 0.382 10.776 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.620 2.022 11.706 1.00 0.49 H new ATOM 0 HB VAL A 93 -3.178 2.486 9.442 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.365 0.284 8.329 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -2.863 0.128 10.029 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.543 -0.228 9.561 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.781 2.149 7.609 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -6.037 1.719 8.794 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.350 3.361 8.781 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.423 3.538 10.836 1.00 0.59 N ATOM 1203 CA GLU A 94 -7.154 4.792 10.963 1.00 0.69 C ATOM 1204 C GLU A 94 -7.333 5.142 12.433 1.00 0.67 C ATOM 1205 O GLU A 94 -7.281 6.312 12.815 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.516 4.698 10.273 1.00 0.78 C ATOM 1207 CG GLU A 94 -9.090 6.048 9.877 1.00 1.31 C ATOM 1208 CD GLU A 94 -8.777 6.414 8.440 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -7.712 7.021 8.200 1.00 1.98 O ATOM 1210 OE2 GLU A 94 -9.597 6.094 7.554 1.00 2.25 O ATOM 0 H GLU A 94 -6.957 2.775 10.419 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.578 5.579 10.476 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.421 4.077 9.382 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -9.218 4.195 10.939 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -10.171 6.035 10.018 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -8.692 6.817 10.539 1.00 1.31 H new ATOM 1217 N ARG A 95 -7.531 4.117 13.259 1.00 0.59 N ATOM 1218 CA ARG A 95 -7.702 4.319 14.691 1.00 0.61 C ATOM 1219 C ARG A 95 -6.384 4.760 15.316 1.00 0.70 C ATOM 1220 O ARG A 95 -6.335 5.733 16.071 1.00 0.77 O ATOM 1221 CB ARG A 95 -8.201 3.035 15.359 1.00 0.60 C ATOM 1222 CG ARG A 95 -8.343 3.149 16.868 1.00 0.87 C ATOM 1223 CD ARG A 95 -9.431 2.228 17.396 1.00 1.58 C ATOM 1224 NE ARG A 95 -8.884 0.973 17.908 1.00 2.18 N ATOM 1225 CZ ARG A 95 -9.627 -0.084 18.224 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -10.946 -0.042 18.084 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -9.049 -1.186 18.683 1.00 3.75 N ATOM 0 H ARG A 95 -7.576 3.143 12.960 1.00 0.59 H new ATOM 0 HA ARG A 95 -8.447 5.100 14.846 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -9.166 2.764 14.931 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -7.511 2.223 15.128 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -7.394 2.903 17.344 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -8.576 4.180 17.136 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -9.981 2.734 18.189 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -10.144 2.015 16.599 1.00 1.58 H new ATOM 0 HE ARG A 95 -7.874 0.904 18.030 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -11.395 0.804 17.733 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -11.511 -0.856 18.328 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -8.036 -1.222 18.793 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -9.618 -1.997 18.926 1.00 3.75 H new ATOM 1241 N GLU A 96 -5.312 4.045 14.984 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.990 4.372 15.501 1.00 0.86 C ATOM 1243 C GLU A 96 -3.572 5.763 15.040 1.00 0.90 C ATOM 1244 O GLU A 96 -2.994 6.536 15.803 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.964 3.334 15.041 1.00 0.93 C ATOM 1246 CG GLU A 96 -1.980 2.929 16.127 1.00 1.34 C ATOM 1247 CD GLU A 96 -0.548 3.288 15.780 1.00 1.68 C ATOM 1248 OE1 GLU A 96 0.012 2.666 14.853 1.00 2.50 O ATOM 1249 OE2 GLU A 96 0.014 4.190 16.438 1.00 1.89 O ATOM 0 H GLU A 96 -5.335 3.238 14.361 1.00 0.73 H new ATOM 0 HA GLU A 96 -4.032 4.361 16.590 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -3.490 2.446 14.689 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -2.411 3.734 14.191 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -2.256 3.416 17.062 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -2.051 1.854 16.294 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.879 6.078 13.784 1.00 0.83 N ATOM 1257 CA ALA A 97 -3.547 7.380 13.219 1.00 0.92 C ATOM 1258 C ALA A 97 -4.411 8.470 13.839 1.00 1.00 C ATOM 1259 O ALA A 97 -3.925 9.553 14.166 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.716 7.361 11.708 1.00 0.87 C ATOM 0 H ALA A 97 -4.357 5.448 13.139 1.00 0.83 H new ATOM 0 HA ALA A 97 -2.504 7.599 13.448 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -3.464 8.340 11.301 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -3.055 6.609 11.277 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.750 7.120 11.461 1.00 0.87 H new ATOM 1266 N SER A 98 -5.697 8.174 14.003 1.00 0.92 N ATOM 1267 CA SER A 98 -6.630 9.126 14.591 1.00 1.01 C ATOM 1268 C SER A 98 -6.277 9.392 16.049 1.00 1.07 C ATOM 1269 O SER A 98 -6.377 10.521 16.528 1.00 1.18 O ATOM 1270 CB SER A 98 -8.064 8.600 14.487 1.00 0.99 C ATOM 1271 OG SER A 98 -8.200 7.357 15.153 1.00 1.50 O ATOM 0 H SER A 98 -6.115 7.283 13.737 1.00 0.92 H new ATOM 0 HA SER A 98 -6.556 10.063 14.038 1.00 1.01 H new ATOM 0 HB2 SER A 98 -8.753 9.325 14.920 1.00 0.99 H new ATOM 0 HB3 SER A 98 -8.338 8.486 13.438 1.00 0.99 H new ATOM 0 HG SER A 98 -7.312 7.000 15.365 1.00 1.50 H new ATOM 1277 N GLU A 99 -5.858 8.342 16.748 1.00 1.04 N ATOM 1278 CA GLU A 99 -5.482 8.460 18.152 1.00 1.13 C ATOM 1279 C GLU A 99 -4.084 9.055 18.288 1.00 1.27 C ATOM 1280 O GLU A 99 -3.781 9.738 19.266 1.00 1.45 O ATOM 1281 CB GLU A 99 -5.536 7.092 18.834 1.00 1.07 C ATOM 1282 CG GLU A 99 -5.598 7.169 20.350 1.00 1.76 C ATOM 1283 CD GLU A 99 -7.015 7.083 20.881 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -7.857 6.437 20.223 1.00 2.88 O ATOM 1285 OE2 GLU A 99 -7.283 7.663 21.954 1.00 2.68 O ATOM 0 H GLU A 99 -5.770 7.401 16.365 1.00 1.04 H new ATOM 0 HA GLU A 99 -6.193 9.127 18.640 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -6.408 6.548 18.470 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -4.657 6.516 18.544 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -5.005 6.360 20.776 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -5.146 8.104 20.681 1.00 1.76 H new ATOM 1292 N GLN A 100 -3.237 8.792 17.297 1.00 1.22 N ATOM 1293 CA GLN A 100 -1.871 9.302 17.301 1.00 1.37 C ATOM 1294 C GLN A 100 -1.826 10.751 16.825 1.00 1.48 C ATOM 1295 O GLN A 100 -0.906 11.496 17.163 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.978 8.436 16.411 1.00 1.33 C ATOM 1297 CG GLN A 100 -0.543 7.136 17.066 1.00 1.96 C ATOM 1298 CD GLN A 100 0.747 7.281 17.850 1.00 2.38 C ATOM 1299 OE1 GLN A 100 0.928 8.241 18.599 1.00 3.19 O ATOM 1300 NE2 GLN A 100 1.654 6.326 17.679 1.00 2.35 N ATOM 0 H GLN A 100 -3.474 8.228 16.481 1.00 1.22 H new ATOM 0 HA GLN A 100 -1.501 9.264 18.326 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -1.511 8.207 15.488 1.00 1.33 H new ATOM 0 HB3 GLN A 100 -0.092 9.007 16.134 1.00 1.33 H new ATOM 0 HG2 GLN A 100 -1.332 6.788 17.733 1.00 1.96 H new ATOM 0 HG3 GLN A 100 -0.414 6.372 16.299 1.00 1.96 H new ATOM 0 HE21 GLN A 100 1.462 5.548 17.048 1.00 2.35 H new ATOM 0 HE22 GLN A 100 2.542 6.371 18.179 1.00 2.35 H new ATOM 1307 N GLU A 101 -2.824 11.144 16.037 1.00 1.44 N ATOM 1308 CA GLU A 101 -2.895 12.504 15.513 1.00 1.59 C ATOM 1309 C GLU A 101 -1.762 12.766 14.527 1.00 1.58 C ATOM 1310 O GLU A 101 -1.225 13.871 14.462 1.00 1.81 O ATOM 1311 CB GLU A 101 -2.839 13.523 16.655 1.00 1.80 C ATOM 1312 CG GLU A 101 -3.811 13.224 17.784 1.00 2.02 C ATOM 1313 CD GLU A 101 -3.558 14.076 19.013 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -3.778 15.304 18.938 1.00 2.04 O ATOM 1315 OE2 GLU A 101 -3.141 13.517 20.048 1.00 2.68 O ATOM 0 H GLU A 101 -3.594 10.540 15.748 1.00 1.44 H new ATOM 0 HA GLU A 101 -3.844 12.613 14.988 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -1.826 13.551 17.057 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -3.052 14.515 16.257 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -4.830 13.390 17.435 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -3.735 12.171 18.055 1.00 2.02 H new ATOM 1322 N LYS A 102 -1.405 11.741 13.760 1.00 1.36 N ATOM 1323 CA LYS A 102 -0.336 11.859 12.776 1.00 1.36 C ATOM 1324 C LYS A 102 -0.899 12.212 11.400 1.00 1.24 C ATOM 1325 O LYS A 102 -2.080 11.994 11.130 1.00 1.16 O ATOM 1326 CB LYS A 102 0.459 10.553 12.700 1.00 1.37 C ATOM 1327 CG LYS A 102 1.896 10.687 13.179 1.00 1.77 C ATOM 1328 CD LYS A 102 2.216 9.687 14.280 1.00 2.28 C ATOM 1329 CE LYS A 102 2.202 10.342 15.651 1.00 2.19 C ATOM 1330 NZ LYS A 102 2.791 9.459 16.694 1.00 2.36 N ATOM 0 H LYS A 102 -1.841 10.820 13.801 1.00 1.36 H new ATOM 0 HA LYS A 102 0.330 12.663 13.090 1.00 1.36 H new ATOM 0 HB2 LYS A 102 -0.046 9.795 13.299 1.00 1.37 H new ATOM 0 HB3 LYS A 102 0.460 10.197 11.670 1.00 1.37 H new ATOM 0 HG2 LYS A 102 2.575 10.535 12.340 1.00 1.77 H new ATOM 0 HG3 LYS A 102 2.065 11.699 13.546 1.00 1.77 H new ATOM 0 HD2 LYS A 102 1.490 8.874 14.257 1.00 2.28 H new ATOM 0 HD3 LYS A 102 3.195 9.245 14.097 1.00 2.28 H new ATOM 0 HE2 LYS A 102 2.758 11.278 15.612 1.00 2.19 H new ATOM 0 HE3 LYS A 102 1.177 10.592 15.924 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 2.129 9.375 17.492 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 2.969 8.517 16.291 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 3.687 9.867 17.029 1.00 2.36 H new ATOM 1344 N PRO A 103 -0.056 12.765 10.511 1.00 1.27 N ATOM 1345 CA PRO A 103 -0.476 13.149 9.158 1.00 1.21 C ATOM 1346 C PRO A 103 -1.125 11.993 8.404 1.00 1.01 C ATOM 1347 O PRO A 103 -0.534 10.924 8.259 1.00 0.97 O ATOM 1348 CB PRO A 103 0.834 13.561 8.479 1.00 1.28 C ATOM 1349 CG PRO A 103 1.738 13.946 9.596 1.00 1.36 C ATOM 1350 CD PRO A 103 1.367 13.060 10.753 1.00 1.42 C ATOM 0 HA PRO A 103 -1.228 13.938 9.175 1.00 1.21 H new ATOM 0 HB2 PRO A 103 1.253 12.740 7.897 1.00 1.28 H new ATOM 0 HB3 PRO A 103 0.679 14.393 7.792 1.00 1.28 H new ATOM 0 HG2 PRO A 103 2.783 13.808 9.318 1.00 1.36 H new ATOM 0 HG3 PRO A 103 1.613 14.998 9.854 1.00 1.36 H new ATOM 0 HD2 PRO A 103 1.969 12.151 10.773 1.00 1.42 H new ATOM 0 HD3 PRO A 103 1.517 13.562 11.709 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.345 12.216 7.923 1.00 1.00 N ATOM 1359 CA LEU A 104 -3.073 11.192 7.183 1.00 0.93 C ATOM 1360 C LEU A 104 -2.379 10.885 5.858 1.00 0.85 C ATOM 1361 O LEU A 104 -2.203 9.724 5.493 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.515 11.641 6.932 1.00 1.11 C ATOM 1363 CG LEU A 104 -5.584 10.813 7.648 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -5.457 9.342 7.279 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -5.479 10.997 9.155 1.00 1.51 C ATOM 0 H LEU A 104 -2.849 13.096 8.033 1.00 1.00 H new ATOM 0 HA LEU A 104 -3.087 10.282 7.783 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.615 12.681 7.242 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.709 11.608 5.860 1.00 1.11 H new ATOM 0 HG LEU A 104 -6.564 11.164 7.326 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -6.226 8.769 7.798 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -5.582 9.225 6.203 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -4.473 8.977 7.572 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -6.247 10.401 9.649 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.495 10.673 9.493 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -5.620 12.049 9.404 1.00 1.51 H new ATOM 1371 N MET A 105 -1.984 11.936 5.144 1.00 0.98 N ATOM 1372 CA MET A 105 -1.305 11.780 3.861 1.00 0.99 C ATOM 1373 C MET A 105 -0.057 10.917 4.011 1.00 0.76 C ATOM 1374 O MET A 105 0.256 10.103 3.142 1.00 0.81 O ATOM 1375 CB MET A 105 -0.932 13.148 3.287 1.00 1.22 C ATOM 1376 CG MET A 105 -0.207 14.048 4.276 1.00 1.08 C ATOM 1377 SD MET A 105 -0.781 15.756 4.213 1.00 1.56 S ATOM 1378 CE MET A 105 -2.546 15.530 4.417 1.00 1.27 C ATOM 0 H MET A 105 -2.122 12.905 5.432 1.00 0.98 H new ATOM 0 HA MET A 105 -1.988 11.282 3.173 1.00 0.99 H new ATOM 0 HB2 MET A 105 -0.301 13.005 2.410 1.00 1.22 H new ATOM 0 HB3 MET A 105 -1.839 13.650 2.949 1.00 1.22 H new ATOM 0 HG2 MET A 105 -0.347 13.659 5.285 1.00 1.08 H new ATOM 0 HG3 MET A 105 0.863 14.021 4.069 1.00 1.08 H new ATOM 0 HE1 MET A 105 -3.059 15.830 3.503 1.00 1.27 H new ATOM 0 HE2 MET A 105 -2.757 14.481 4.624 1.00 1.27 H new ATOM 0 HE3 MET A 105 -2.897 16.142 5.248 1.00 1.27 H new ATOM 1388 N ALA A 106 0.648 11.094 5.124 1.00 0.70 N ATOM 1389 CA ALA A 106 1.858 10.327 5.394 1.00 0.63 C ATOM 1390 C ALA A 106 1.509 8.929 5.891 1.00 0.54 C ATOM 1391 O ALA A 106 2.113 7.937 5.473 1.00 0.61 O ATOM 1392 CB ALA A 106 2.725 11.050 6.413 1.00 0.84 C ATOM 0 H ALA A 106 0.401 11.763 5.854 1.00 0.70 H new ATOM 0 HA ALA A 106 2.419 10.230 4.464 1.00 0.63 H new ATOM 0 HB1 ALA A 106 3.625 10.466 6.605 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.004 12.029 6.024 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.168 11.174 7.342 1.00 0.84 H new ATOM 1398 N HIS A 107 0.526 8.856 6.786 1.00 0.53 N ATOM 1399 CA HIS A 107 0.086 7.583 7.346 1.00 0.60 C ATOM 1400 C HIS A 107 -0.194 6.570 6.242 1.00 0.55 C ATOM 1401 O HIS A 107 0.249 5.425 6.310 1.00 0.70 O ATOM 1402 CB HIS A 107 -1.167 7.779 8.202 1.00 0.70 C ATOM 1403 CG HIS A 107 -1.422 6.651 9.152 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -0.645 6.415 10.267 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -2.375 5.688 9.150 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -1.108 5.357 10.908 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -2.157 4.897 10.251 1.00 2.34 N ATOM 0 H HIS A 107 0.018 9.667 7.139 1.00 0.53 H new ATOM 0 HA HIS A 107 0.889 7.198 7.975 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -1.070 8.706 8.768 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -2.031 7.895 7.547 1.00 0.70 H new ATOM 0 HD1 HIS A 107 0.161 6.971 10.552 1.00 1.79 H new ATOM 0 HD2 HIS A 107 -3.160 5.565 8.419 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -0.698 4.939 11.816 1.00 2.26 H new ATOM 1416 N TRP A 108 -0.927 7.003 5.221 1.00 0.47 N ATOM 1417 CA TRP A 108 -1.254 6.131 4.100 1.00 0.46 C ATOM 1418 C TRP A 108 0.006 5.786 3.317 1.00 0.43 C ATOM 1419 O TRP A 108 0.216 4.634 2.935 1.00 0.47 O ATOM 1420 CB TRP A 108 -2.284 6.798 3.186 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.686 6.698 3.706 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -4.349 5.558 4.057 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.596 7.780 3.936 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.616 5.864 4.492 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.791 7.222 4.427 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.515 9.164 3.775 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.896 8.002 4.758 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.612 9.938 4.104 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.788 9.356 4.591 1.00 2.00 C ATOM 0 H TRP A 108 -1.304 7.948 5.147 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.686 5.209 4.490 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -2.023 7.849 3.062 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -2.236 6.339 2.199 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.938 4.561 4.001 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -6.313 5.191 4.811 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.612 9.622 3.400 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.805 7.555 5.133 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -5.561 11.010 3.983 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -7.627 9.988 4.840 1.00 2.00 H new ATOM 1440 N ALA A 109 0.852 6.791 3.095 1.00 0.47 N ATOM 1441 CA ALA A 109 2.103 6.594 2.373 1.00 0.51 C ATOM 1442 C ALA A 109 2.947 5.522 3.053 1.00 0.49 C ATOM 1443 O ALA A 109 3.593 4.709 2.391 1.00 0.64 O ATOM 1444 CB ALA A 109 2.876 7.902 2.286 1.00 0.62 C ATOM 0 H ALA A 109 0.692 7.749 3.406 1.00 0.47 H new ATOM 0 HA ALA A 109 1.870 6.261 1.362 1.00 0.51 H new ATOM 0 HB1 ALA A 109 3.808 7.739 1.744 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.276 8.645 1.761 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.099 8.260 3.291 1.00 0.62 H new ATOM 1450 N HIS A 110 2.925 5.522 4.381 1.00 0.44 N ATOM 1451 CA HIS A 110 3.677 4.544 5.156 1.00 0.53 C ATOM 1452 C HIS A 110 2.893 3.242 5.275 1.00 0.60 C ATOM 1453 O HIS A 110 3.441 2.155 5.085 1.00 0.86 O ATOM 1454 CB HIS A 110 3.994 5.095 6.549 1.00 0.57 C ATOM 1455 CG HIS A 110 4.770 4.144 7.407 1.00 1.03 C ATOM 1456 ND1 HIS A 110 6.130 3.953 7.280 1.00 1.58 N ATOM 1457 CD2 HIS A 110 4.370 3.324 8.408 1.00 1.90 C ATOM 1458 CE1 HIS A 110 6.532 3.057 8.164 1.00 1.93 C ATOM 1459 NE2 HIS A 110 5.483 2.661 8.862 1.00 2.16 N ATOM 0 H HIS A 110 2.395 6.188 4.943 1.00 0.44 H new ATOM 0 HA HIS A 110 4.614 4.342 4.637 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.559 6.021 6.444 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.060 5.347 7.052 1.00 0.57 H new ATOM 0 HD2 HIS A 110 3.362 3.212 8.780 1.00 1.90 H new ATOM 0 HE1 HIS A 110 7.546 2.708 8.294 1.00 1.93 H new ATOM 0 HE2 HIS A 110 5.498 1.974 9.616 1.00 2.16 H new ATOM 1468 N MET A 111 1.607 3.361 5.590 1.00 0.50 N ATOM 1469 CA MET A 111 0.741 2.197 5.735 1.00 0.59 C ATOM 1470 C MET A 111 0.768 1.330 4.482 1.00 0.59 C ATOM 1471 O MET A 111 0.791 0.103 4.568 1.00 0.78 O ATOM 1472 CB MET A 111 -0.694 2.638 6.033 1.00 0.63 C ATOM 1473 CG MET A 111 -1.013 2.710 7.518 1.00 1.24 C ATOM 1474 SD MET A 111 -0.765 1.137 8.363 1.00 2.04 S ATOM 1475 CE MET A 111 -1.399 -0.012 7.143 1.00 1.59 C ATOM 0 H MET A 111 1.141 4.254 5.750 1.00 0.50 H new ATOM 0 HA MET A 111 1.115 1.603 6.569 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.865 3.617 5.585 1.00 0.63 H new ATOM 0 HB3 MET A 111 -1.385 1.944 5.555 1.00 0.63 H new ATOM 0 HG2 MET A 111 -0.385 3.470 7.983 1.00 1.24 H new ATOM 0 HG3 MET A 111 -2.048 3.028 7.648 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.712 -0.931 7.637 1.00 1.59 H new ATOM 0 HE2 MET A 111 -2.252 0.434 6.632 1.00 1.59 H new ATOM 0 HE3 MET A 111 -0.619 -0.239 6.416 1.00 1.59 H new ATOM 1485 N VAL A 112 0.767 1.970 3.316 1.00 0.51 N ATOM 1486 CA VAL A 112 0.794 1.241 2.053 1.00 0.58 C ATOM 1487 C VAL A 112 2.123 0.508 1.875 1.00 0.64 C ATOM 1488 O VAL A 112 2.149 -0.701 1.623 1.00 0.78 O ATOM 1489 CB VAL A 112 0.557 2.177 0.848 1.00 0.59 C ATOM 1490 CG1 VAL A 112 -0.855 2.743 0.881 1.00 1.46 C ATOM 1491 CG2 VAL A 112 1.583 3.299 0.817 1.00 1.42 C ATOM 0 H VAL A 112 0.748 2.985 3.220 1.00 0.51 H new ATOM 0 HA VAL A 112 -0.017 0.513 2.089 1.00 0.58 H new ATOM 0 HB VAL A 112 0.673 1.590 -0.063 1.00 0.59 H new ATOM 0 HG11 VAL A 112 -1.004 3.400 0.024 1.00 1.46 H new ATOM 0 HG12 VAL A 112 -1.575 1.926 0.841 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -0.999 3.309 1.802 1.00 1.46 H new ATOM 0 HG21 VAL A 112 1.392 3.943 -0.042 1.00 1.42 H new ATOM 0 HG22 VAL A 112 1.509 3.885 1.733 1.00 1.42 H new ATOM 0 HG23 VAL A 112 2.584 2.875 0.737 1.00 1.42 H new ATOM 1495 N VAL A 113 3.225 1.242 2.020 1.00 0.61 N ATOM 1496 CA VAL A 113 4.552 0.660 1.882 1.00 0.72 C ATOM 1497 C VAL A 113 4.759 -0.458 2.898 1.00 0.82 C ATOM 1498 O VAL A 113 5.411 -1.462 2.614 1.00 1.03 O ATOM 1499 CB VAL A 113 5.654 1.724 2.061 1.00 0.73 C ATOM 1500 CG1 VAL A 113 7.036 1.113 1.864 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.432 2.884 1.100 1.00 0.63 C ATOM 0 H VAL A 113 3.222 2.240 2.233 1.00 0.61 H new ATOM 0 HA VAL A 113 4.623 0.250 0.874 1.00 0.72 H new ATOM 0 HB VAL A 113 5.600 2.107 3.080 1.00 0.73 H new ATOM 0 HG11 VAL A 113 7.796 1.883 1.995 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.191 0.321 2.597 1.00 0.97 H new ATOM 0 HG13 VAL A 113 7.110 0.697 0.859 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.218 3.627 1.238 1.00 0.63 H new ATOM 0 HG22 VAL A 113 5.457 2.516 0.074 1.00 0.63 H new ATOM 0 HG23 VAL A 113 4.462 3.340 1.299 1.00 0.63 H new ATOM 1505 N HIS A 114 4.197 -0.276 4.086 1.00 0.75 N ATOM 1506 CA HIS A 114 4.312 -1.268 5.145 1.00 0.85 C ATOM 1507 C HIS A 114 3.276 -2.377 4.965 1.00 0.96 C ATOM 1508 O HIS A 114 3.484 -3.509 5.386 1.00 1.08 O ATOM 1509 CB HIS A 114 4.158 -0.595 6.519 1.00 0.89 C ATOM 1510 CG HIS A 114 3.113 -1.217 7.405 1.00 0.99 C ATOM 1511 ND1 HIS A 114 1.763 -0.959 7.275 1.00 1.39 N ATOM 1512 CD2 HIS A 114 3.229 -2.094 8.429 1.00 1.57 C ATOM 1513 CE1 HIS A 114 1.096 -1.651 8.182 1.00 1.30 C ATOM 1514 NE2 HIS A 114 1.963 -2.347 8.894 1.00 1.36 N ATOM 0 H HIS A 114 3.656 0.551 4.340 1.00 0.75 H new ATOM 0 HA HIS A 114 5.301 -1.722 5.089 1.00 0.85 H new ATOM 0 HB2 HIS A 114 5.118 -0.626 7.034 1.00 0.89 H new ATOM 0 HB3 HIS A 114 3.910 0.456 6.369 1.00 0.89 H new ATOM 0 HD2 HIS A 114 4.147 -2.516 8.810 1.00 1.57 H new ATOM 0 HE1 HIS A 114 0.025 -1.648 8.318 1.00 1.30 H new ATOM 0 HE2 HIS A 114 1.729 -2.972 9.665 1.00 1.36 H new ATOM 1523 N GLY A 115 2.148 -2.040 4.359 1.00 1.03 N ATOM 1524 CA GLY A 115 1.096 -3.020 4.175 1.00 1.18 C ATOM 1525 C GLY A 115 1.366 -4.018 3.067 1.00 1.20 C ATOM 1526 O GLY A 115 0.992 -5.184 3.187 1.00 1.36 O ATOM 0 H GLY A 115 1.942 -1.111 3.993 1.00 1.03 H new ATOM 0 HA2 GLY A 115 0.951 -3.562 5.110 1.00 1.18 H new ATOM 0 HA3 GLY A 115 0.163 -2.499 3.961 1.00 1.18 H new ATOM 1530 N SER A 116 1.997 -3.582 1.981 1.00 1.17 N ATOM 1531 CA SER A 116 2.270 -4.497 0.873 1.00 1.26 C ATOM 1532 C SER A 116 3.718 -4.948 0.836 1.00 1.36 C ATOM 1533 O SER A 116 3.997 -6.114 0.565 1.00 1.63 O ATOM 1534 CB SER A 116 1.930 -3.862 -0.475 1.00 1.31 C ATOM 1535 OG SER A 116 2.109 -2.457 -0.444 1.00 1.72 O ATOM 0 H SER A 116 2.323 -2.625 1.843 1.00 1.17 H new ATOM 0 HA SER A 116 1.634 -5.365 1.047 1.00 1.26 H new ATOM 0 HB2 SER A 116 2.561 -4.294 -1.252 1.00 1.31 H new ATOM 0 HB3 SER A 116 0.898 -4.093 -0.738 1.00 1.31 H new ATOM 0 HG SER A 116 2.511 -2.160 -1.287 1.00 1.72 H new ATOM 1541 N LEU A 117 4.643 -4.027 1.059 1.00 1.28 N ATOM 1542 CA LEU A 117 6.049 -4.375 0.986 1.00 1.49 C ATOM 1543 C LEU A 117 6.588 -4.973 2.283 1.00 1.69 C ATOM 1544 O LEU A 117 7.581 -5.701 2.248 1.00 1.94 O ATOM 1545 CB LEU A 117 6.922 -3.196 0.533 1.00 1.49 C ATOM 1546 CG LEU A 117 6.442 -2.398 -0.694 1.00 1.78 C ATOM 1547 CD1 LEU A 117 5.064 -1.798 -0.478 1.00 2.07 C ATOM 1548 CD2 LEU A 117 7.444 -1.300 -1.020 1.00 2.38 C ATOM 0 H LEU A 117 4.449 -3.052 1.288 1.00 1.28 H new ATOM 0 HA LEU A 117 6.109 -5.152 0.224 1.00 1.49 H new ATOM 0 HB2 LEU A 117 7.017 -2.504 1.370 1.00 1.49 H new ATOM 0 HB3 LEU A 117 7.921 -3.577 0.319 1.00 1.49 H new ATOM 0 HG LEU A 117 6.370 -3.091 -1.532 1.00 1.78 H new ATOM 0 HD11 LEU A 117 4.765 -1.244 -1.368 1.00 2.07 H new ATOM 0 HD12 LEU A 117 4.346 -2.595 -0.288 1.00 2.07 H new ATOM 0 HD13 LEU A 117 5.091 -1.123 0.378 1.00 2.07 H new ATOM 0 HD21 LEU A 117 7.099 -0.739 -1.889 1.00 2.38 H new ATOM 0 HD22 LEU A 117 7.537 -0.627 -0.167 1.00 2.38 H new ATOM 0 HD23 LEU A 117 8.414 -1.746 -1.238 1.00 2.38 H new ATOM 1554 N HIS A 118 5.948 -4.714 3.428 1.00 1.70 N ATOM 1555 CA HIS A 118 6.435 -5.306 4.675 1.00 2.04 C ATOM 1556 C HIS A 118 6.510 -6.815 4.504 1.00 2.25 C ATOM 1557 O HIS A 118 7.410 -7.474 5.025 1.00 2.60 O ATOM 1558 CB HIS A 118 5.538 -4.957 5.860 1.00 2.10 C ATOM 1559 CG HIS A 118 6.038 -5.496 7.165 1.00 2.30 C ATOM 1560 ND1 HIS A 118 7.374 -5.532 7.501 1.00 2.63 N ATOM 1561 CD2 HIS A 118 5.371 -6.021 8.221 1.00 2.93 C ATOM 1562 CE1 HIS A 118 7.508 -6.058 8.707 1.00 3.13 C ATOM 1563 NE2 HIS A 118 6.308 -6.362 9.165 1.00 3.28 N ATOM 0 H HIS A 118 5.123 -4.121 3.517 1.00 1.70 H new ATOM 0 HA HIS A 118 7.423 -4.898 4.888 1.00 2.04 H new ATOM 0 HB2 HIS A 118 5.451 -3.873 5.933 1.00 2.10 H new ATOM 0 HB3 HIS A 118 4.537 -5.346 5.675 1.00 2.10 H new ATOM 0 HD2 HIS A 118 4.302 -6.148 8.305 1.00 2.93 H new ATOM 0 HE1 HIS A 118 8.441 -6.213 9.229 1.00 3.13 H new ATOM 0 HE2 HIS A 118 6.109 -6.782 10.073 1.00 3.28 H new ATOM 1572 N LEU A 119 5.564 -7.346 3.734 1.00 2.15 N ATOM 1573 CA LEU A 119 5.523 -8.769 3.442 1.00 2.45 C ATOM 1574 C LEU A 119 6.546 -9.094 2.361 1.00 2.53 C ATOM 1575 O LEU A 119 7.398 -9.966 2.538 1.00 2.98 O ATOM 1576 CB LEU A 119 4.119 -9.180 2.986 1.00 2.52 C ATOM 1577 CG LEU A 119 3.978 -10.636 2.539 1.00 2.47 C ATOM 1578 CD1 LEU A 119 3.766 -11.544 3.740 1.00 3.30 C ATOM 1579 CD2 LEU A 119 2.828 -10.778 1.549 1.00 2.27 C ATOM 0 H LEU A 119 4.814 -6.806 3.301 1.00 2.15 H new ATOM 0 HA LEU A 119 5.766 -9.327 4.346 1.00 2.45 H new ATOM 0 HB2 LEU A 119 3.422 -8.999 3.804 1.00 2.52 H new ATOM 0 HB3 LEU A 119 3.819 -8.533 2.162 1.00 2.52 H new ATOM 0 HG LEU A 119 4.900 -10.937 2.042 1.00 2.47 H new ATOM 0 HD11 LEU A 119 3.668 -12.576 3.403 1.00 3.30 H new ATOM 0 HD12 LEU A 119 4.619 -11.462 4.413 1.00 3.30 H new ATOM 0 HD13 LEU A 119 2.859 -11.246 4.266 1.00 3.30 H new ATOM 0 HD21 LEU A 119 2.740 -11.820 1.240 1.00 2.27 H new ATOM 0 HD22 LEU A 119 1.899 -10.460 2.022 1.00 2.27 H new ATOM 0 HD23 LEU A 119 3.021 -10.156 0.675 1.00 2.27 H new ATOM 1585 N LEU A 120 6.474 -8.364 1.247 1.00 2.25 N ATOM 1586 CA LEU A 120 7.411 -8.550 0.150 1.00 2.47 C ATOM 1587 C LEU A 120 7.688 -7.232 -0.574 1.00 2.57 C ATOM 1588 O LEU A 120 8.786 -6.688 -0.479 1.00 3.07 O ATOM 1589 CB LEU A 120 6.946 -9.647 -0.836 1.00 2.62 C ATOM 1590 CG LEU A 120 5.530 -9.553 -1.438 1.00 2.70 C ATOM 1591 CD1 LEU A 120 4.531 -8.932 -0.473 1.00 3.20 C ATOM 1592 CD2 LEU A 120 5.566 -8.792 -2.760 1.00 2.88 C ATOM 0 H LEU A 120 5.775 -7.639 1.085 1.00 2.25 H new ATOM 0 HA LEU A 120 8.348 -8.894 0.588 1.00 2.47 H new ATOM 0 HB2 LEU A 120 7.655 -9.669 -1.663 1.00 2.62 H new ATOM 0 HB3 LEU A 120 7.024 -10.606 -0.323 1.00 2.62 H new ATOM 0 HG LEU A 120 5.187 -10.570 -1.628 1.00 2.70 H new ATOM 0 HD11 LEU A 120 3.549 -8.888 -0.944 1.00 3.20 H new ATOM 0 HD12 LEU A 120 4.473 -9.538 0.431 1.00 3.20 H new ATOM 0 HD13 LEU A 120 4.854 -7.924 -0.214 1.00 3.20 H new ATOM 0 HD21 LEU A 120 4.559 -8.733 -3.174 1.00 2.88 H new ATOM 0 HD22 LEU A 120 5.948 -7.785 -2.590 1.00 2.88 H new ATOM 0 HD23 LEU A 120 6.217 -9.313 -3.462 1.00 2.88 H new ATOM 1598 N GLY A 121 6.680 -6.724 -1.279 1.00 2.56 N ATOM 1599 CA GLY A 121 6.789 -5.476 -2.016 1.00 3.27 C ATOM 1600 C GLY A 121 7.862 -5.475 -3.082 1.00 3.49 C ATOM 1601 O GLY A 121 7.600 -5.124 -4.232 1.00 4.12 O ATOM 0 H GLY A 121 5.765 -7.170 -1.353 1.00 2.56 H new ATOM 0 HA2 GLY A 121 5.829 -5.258 -2.483 1.00 3.27 H new ATOM 0 HA3 GLY A 121 6.991 -4.668 -1.312 1.00 3.27 H new ATOM 1605 N TYR A 122 9.068 -5.858 -2.705 1.00 3.41 N ATOM 1606 CA TYR A 122 10.184 -5.889 -3.629 1.00 4.05 C ATOM 1607 C TYR A 122 10.871 -7.255 -3.632 1.00 4.04 C ATOM 1608 O TYR A 122 11.975 -7.401 -4.157 1.00 4.29 O ATOM 1609 CB TYR A 122 11.176 -4.782 -3.265 1.00 4.92 C ATOM 1610 CG TYR A 122 11.101 -4.326 -1.828 1.00 4.99 C ATOM 1611 CD1 TYR A 122 10.037 -3.552 -1.389 1.00 5.29 C ATOM 1612 CD2 TYR A 122 12.103 -4.642 -0.921 1.00 5.07 C ATOM 1613 CE1 TYR A 122 9.972 -3.106 -0.089 1.00 5.72 C ATOM 1614 CE2 TYR A 122 12.040 -4.204 0.388 1.00 5.49 C ATOM 1615 CZ TYR A 122 10.973 -3.434 0.799 1.00 5.83 C ATOM 1616 OH TYR A 122 10.909 -2.989 2.099 1.00 6.50 O ATOM 0 H TYR A 122 9.299 -6.154 -1.757 1.00 3.41 H new ATOM 0 HA TYR A 122 9.806 -5.717 -4.637 1.00 4.05 H new ATOM 0 HB2 TYR A 122 12.187 -5.135 -3.469 1.00 4.92 H new ATOM 0 HB3 TYR A 122 11.000 -3.925 -3.915 1.00 4.92 H new ATOM 0 HD1 TYR A 122 9.247 -3.295 -2.079 1.00 5.29 H new ATOM 0 HD2 TYR A 122 12.944 -5.239 -1.243 1.00 5.07 H new ATOM 0 HE1 TYR A 122 9.138 -2.500 0.234 1.00 5.72 H new ATOM 0 HE2 TYR A 122 12.823 -4.464 1.086 1.00 5.49 H new ATOM 0 HH TYR A 122 11.692 -3.310 2.593 1.00 6.50 H new ATOM 1626 N ASP A 123 10.214 -8.250 -3.043 1.00 4.20 N ATOM 1627 CA ASP A 123 10.766 -9.599 -2.977 1.00 4.65 C ATOM 1628 C ASP A 123 10.770 -10.270 -4.351 1.00 4.02 C ATOM 1629 O ASP A 123 11.382 -11.322 -4.532 1.00 4.67 O ATOM 1630 CB ASP A 123 9.969 -10.450 -1.987 1.00 5.43 C ATOM 1631 CG ASP A 123 10.816 -11.527 -1.339 1.00 6.23 C ATOM 1632 OD1 ASP A 123 11.121 -12.531 -2.018 1.00 6.57 O ATOM 1633 OD2 ASP A 123 11.175 -11.369 -0.153 1.00 6.82 O ATOM 0 H ASP A 123 9.299 -8.147 -2.605 1.00 4.20 H new ATOM 0 HA ASP A 123 11.798 -9.518 -2.636 1.00 4.65 H new ATOM 0 HB2 ASP A 123 9.550 -9.806 -1.213 1.00 5.43 H new ATOM 0 HB3 ASP A 123 9.129 -10.914 -2.504 1.00 5.43 H new ATOM 1638 N HIS A 124 10.087 -9.659 -5.317 1.00 2.97 N ATOM 1639 CA HIS A 124 10.018 -10.206 -6.670 1.00 2.45 C ATOM 1640 C HIS A 124 11.412 -10.540 -7.195 1.00 2.10 C ATOM 1641 O HIS A 124 11.828 -11.700 -7.190 1.00 2.45 O ATOM 1642 CB HIS A 124 9.331 -9.213 -7.607 1.00 2.23 C ATOM 1643 CG HIS A 124 7.837 -9.250 -7.526 1.00 2.36 C ATOM 1644 ND1 HIS A 124 7.030 -9.502 -8.615 1.00 2.46 N ATOM 1645 CD2 HIS A 124 7.001 -9.068 -6.475 1.00 2.98 C ATOM 1646 CE1 HIS A 124 5.764 -9.474 -8.238 1.00 2.83 C ATOM 1647 NE2 HIS A 124 5.720 -9.213 -6.946 1.00 3.06 N ATOM 0 H HIS A 124 9.574 -8.787 -5.188 1.00 2.97 H new ATOM 0 HA HIS A 124 9.434 -11.126 -6.635 1.00 2.45 H new ATOM 0 HB2 HIS A 124 9.675 -8.206 -7.371 1.00 2.23 H new ATOM 0 HB3 HIS A 124 9.637 -9.422 -8.632 1.00 2.23 H new ATOM 0 HD2 HIS A 124 7.289 -8.850 -5.457 1.00 2.98 H new ATOM 0 HE1 HIS A 124 4.910 -9.637 -8.879 1.00 2.83 H new ATOM 0 HE2 HIS A 124 4.871 -9.132 -6.387 1.00 3.06 H new ATOM 1656 N ILE A 125 12.133 -9.517 -7.639 1.00 1.91 N ATOM 1657 CA ILE A 125 13.482 -9.697 -8.157 1.00 2.11 C ATOM 1658 C ILE A 125 14.449 -8.726 -7.491 1.00 2.10 C ATOM 1659 O ILE A 125 14.087 -7.591 -7.179 1.00 1.90 O ATOM 1660 CB ILE A 125 13.543 -9.502 -9.686 1.00 2.32 C ATOM 1661 CG1 ILE A 125 12.821 -8.213 -10.096 1.00 2.52 C ATOM 1662 CG2 ILE A 125 12.954 -10.710 -10.400 1.00 2.86 C ATOM 1663 CD1 ILE A 125 11.309 -8.304 -10.043 1.00 3.27 C ATOM 0 H ILE A 125 11.804 -8.552 -7.650 1.00 1.91 H new ATOM 0 HA ILE A 125 13.773 -10.722 -7.928 1.00 2.11 H new ATOM 0 HB ILE A 125 14.588 -9.409 -9.982 1.00 2.32 H new ATOM 0 HG12 ILE A 125 13.148 -7.403 -9.444 1.00 2.52 H new ATOM 0 HG13 ILE A 125 13.123 -7.948 -11.109 1.00 2.52 H new ATOM 0 HG21 ILE A 125 13.005 -10.556 -11.478 1.00 2.86 H new ATOM 0 HG22 ILE A 125 13.521 -11.602 -10.134 1.00 2.86 H new ATOM 0 HG23 ILE A 125 11.914 -10.838 -10.100 1.00 2.86 H new ATOM 0 HD11 ILE A 125 10.876 -7.351 -10.348 1.00 3.27 H new ATOM 0 HD12 ILE A 125 10.968 -9.090 -10.717 1.00 3.27 H new ATOM 0 HD13 ILE A 125 10.994 -8.537 -9.026 1.00 3.27 H new ATOM 1667 N GLU A 126 15.679 -9.176 -7.273 1.00 2.54 N ATOM 1668 CA GLU A 126 16.693 -8.344 -6.638 1.00 2.75 C ATOM 1669 C GLU A 126 17.548 -7.613 -7.672 1.00 2.70 C ATOM 1670 O GLU A 126 18.572 -7.021 -7.331 1.00 2.83 O ATOM 1671 CB GLU A 126 17.587 -9.196 -5.735 1.00 3.67 C ATOM 1672 CG GLU A 126 18.287 -10.330 -6.468 1.00 4.39 C ATOM 1673 CD GLU A 126 19.794 -10.158 -6.505 1.00 5.41 C ATOM 1674 OE1 GLU A 126 20.257 -9.004 -6.619 1.00 6.01 O ATOM 1675 OE2 GLU A 126 20.510 -11.178 -6.419 1.00 5.87 O ATOM 0 H GLU A 126 15.998 -10.111 -7.526 1.00 2.54 H new ATOM 0 HA GLU A 126 16.177 -7.596 -6.036 1.00 2.75 H new ATOM 0 HB2 GLU A 126 18.338 -8.555 -5.272 1.00 3.67 H new ATOM 0 HB3 GLU A 126 16.983 -9.613 -4.929 1.00 3.67 H new ATOM 0 HG2 GLU A 126 18.045 -11.276 -5.983 1.00 4.39 H new ATOM 0 HG3 GLU A 126 17.906 -10.388 -7.488 1.00 4.39 H new ATOM 1682 N ASP A 127 17.130 -7.657 -8.934 1.00 2.79 N ATOM 1683 CA ASP A 127 17.871 -6.994 -10.000 1.00 3.14 C ATOM 1684 C ASP A 127 17.415 -5.549 -10.187 1.00 2.88 C ATOM 1685 O ASP A 127 18.154 -4.611 -9.888 1.00 3.08 O ATOM 1686 CB ASP A 127 17.712 -7.764 -11.312 1.00 3.66 C ATOM 1687 CG ASP A 127 19.004 -7.834 -12.103 1.00 4.67 C ATOM 1688 OD1 ASP A 127 19.893 -6.991 -11.863 1.00 5.15 O ATOM 1689 OD2 ASP A 127 19.127 -8.732 -12.963 1.00 5.29 O ATOM 0 H ASP A 127 16.287 -8.142 -9.241 1.00 2.79 H new ATOM 0 HA ASP A 127 18.922 -6.980 -9.713 1.00 3.14 H new ATOM 0 HB2 ASP A 127 17.366 -8.775 -11.097 1.00 3.66 H new ATOM 0 HB3 ASP A 127 16.943 -7.286 -11.919 1.00 3.66 H new ATOM 1694 N ASP A 128 16.198 -5.376 -10.695 1.00 2.70 N ATOM 1695 CA ASP A 128 15.649 -4.044 -10.938 1.00 2.87 C ATOM 1696 C ASP A 128 14.745 -3.579 -9.800 1.00 2.37 C ATOM 1697 O ASP A 128 14.993 -2.548 -9.176 1.00 2.51 O ATOM 1698 CB ASP A 128 14.872 -4.029 -12.256 1.00 3.34 C ATOM 1699 CG ASP A 128 15.744 -3.661 -13.439 1.00 3.82 C ATOM 1700 OD1 ASP A 128 16.501 -4.534 -13.913 1.00 4.15 O ATOM 1701 OD2 ASP A 128 15.671 -2.499 -13.892 1.00 4.30 O ATOM 0 H ASP A 128 15.572 -6.141 -10.947 1.00 2.70 H new ATOM 0 HA ASP A 128 16.489 -3.352 -10.997 1.00 2.87 H new ATOM 0 HB2 ASP A 128 14.431 -5.011 -12.425 1.00 3.34 H new ATOM 0 HB3 ASP A 128 14.049 -3.319 -12.181 1.00 3.34 H new ATOM 1706 N GLU A 129 13.682 -4.336 -9.556 1.00 2.02 N ATOM 1707 CA GLU A 129 12.713 -3.998 -8.514 1.00 1.94 C ATOM 1708 C GLU A 129 13.371 -3.838 -7.143 1.00 1.62 C ATOM 1709 O GLU A 129 12.776 -3.265 -6.232 1.00 1.65 O ATOM 1710 CB GLU A 129 11.609 -5.059 -8.451 1.00 2.14 C ATOM 1711 CG GLU A 129 10.600 -4.955 -9.586 1.00 3.04 C ATOM 1712 CD GLU A 129 11.257 -4.892 -10.951 1.00 4.10 C ATOM 1713 OE1 GLU A 129 11.845 -5.909 -11.374 1.00 4.68 O ATOM 1714 OE2 GLU A 129 11.185 -3.825 -11.596 1.00 4.72 O ATOM 0 H GLU A 129 13.466 -5.192 -10.067 1.00 2.02 H new ATOM 0 HA GLU A 129 12.275 -3.036 -8.779 1.00 1.94 H new ATOM 0 HB2 GLU A 129 12.066 -6.048 -8.471 1.00 2.14 H new ATOM 0 HB3 GLU A 129 11.084 -4.970 -7.500 1.00 2.14 H new ATOM 0 HG2 GLU A 129 9.929 -5.813 -9.550 1.00 3.04 H new ATOM 0 HG3 GLU A 129 9.987 -4.065 -9.441 1.00 3.04 H new ATOM 1721 N ALA A 130 14.592 -4.341 -6.989 1.00 1.57 N ATOM 1722 CA ALA A 130 15.297 -4.237 -5.716 1.00 1.56 C ATOM 1723 C ALA A 130 15.732 -2.800 -5.437 1.00 1.41 C ATOM 1724 O ALA A 130 15.129 -2.106 -4.615 1.00 1.33 O ATOM 1725 CB ALA A 130 16.500 -5.165 -5.703 1.00 1.92 C ATOM 0 H ALA A 130 15.111 -4.821 -7.724 1.00 1.57 H new ATOM 0 HA ALA A 130 14.609 -4.537 -4.926 1.00 1.56 H new ATOM 0 HB1 ALA A 130 17.017 -5.077 -4.747 1.00 1.92 H new ATOM 0 HB2 ALA A 130 16.168 -6.194 -5.843 1.00 1.92 H new ATOM 0 HB3 ALA A 130 17.180 -4.891 -6.510 1.00 1.92 H new ATOM 1731 N GLU A 131 16.782 -2.358 -6.123 1.00 1.46 N ATOM 1732 CA GLU A 131 17.299 -1.003 -5.947 1.00 1.46 C ATOM 1733 C GLU A 131 16.216 0.032 -6.222 1.00 1.38 C ATOM 1734 O GLU A 131 15.981 0.936 -5.415 1.00 1.37 O ATOM 1735 CB GLU A 131 18.494 -0.766 -6.872 1.00 1.66 C ATOM 1736 CG GLU A 131 19.727 -1.572 -6.492 1.00 1.92 C ATOM 1737 CD GLU A 131 21.013 -0.932 -6.975 1.00 2.55 C ATOM 1738 OE1 GLU A 131 21.202 0.278 -6.731 1.00 3.30 O ATOM 1739 OE2 GLU A 131 21.832 -1.641 -7.596 1.00 2.84 O ATOM 0 H GLU A 131 17.292 -2.918 -6.806 1.00 1.46 H new ATOM 0 HA GLU A 131 17.623 -0.897 -4.912 1.00 1.46 H new ATOM 0 HB2 GLU A 131 18.207 -1.016 -7.894 1.00 1.66 H new ATOM 0 HB3 GLU A 131 18.746 0.294 -6.862 1.00 1.66 H new ATOM 0 HG2 GLU A 131 19.765 -1.682 -5.408 1.00 1.92 H new ATOM 0 HG3 GLU A 131 19.645 -2.575 -6.911 1.00 1.92 H new ATOM 1746 N GLU A 132 15.554 -0.109 -7.366 1.00 1.44 N ATOM 1747 CA GLU A 132 14.489 0.810 -7.754 1.00 1.53 C ATOM 1748 C GLU A 132 13.495 0.991 -6.612 1.00 1.29 C ATOM 1749 O GLU A 132 13.274 2.107 -6.141 1.00 1.22 O ATOM 1750 CB GLU A 132 13.768 0.291 -9.000 1.00 1.86 C ATOM 1751 CG GLU A 132 13.419 1.382 -10.000 1.00 2.46 C ATOM 1752 CD GLU A 132 14.599 1.779 -10.865 1.00 2.96 C ATOM 1753 OE1 GLU A 132 15.427 2.593 -10.403 1.00 3.37 O ATOM 1754 OE2 GLU A 132 14.695 1.278 -12.004 1.00 3.44 O ATOM 0 H GLU A 132 15.736 -0.851 -8.041 1.00 1.44 H new ATOM 0 HA GLU A 132 14.936 1.777 -7.982 1.00 1.53 H new ATOM 0 HB2 GLU A 132 14.397 -0.452 -9.490 1.00 1.86 H new ATOM 0 HB3 GLU A 132 12.853 -0.217 -8.695 1.00 1.86 H new ATOM 0 HG2 GLU A 132 12.605 1.038 -10.638 1.00 2.46 H new ATOM 0 HG3 GLU A 132 13.055 2.258 -9.464 1.00 2.46 H new ATOM 1761 N MET A 133 12.905 -0.113 -6.164 1.00 1.28 N ATOM 1762 CA MET A 133 11.944 -0.068 -5.071 1.00 1.23 C ATOM 1763 C MET A 133 12.603 0.451 -3.800 1.00 0.98 C ATOM 1764 O MET A 133 11.985 1.175 -3.022 1.00 0.92 O ATOM 1765 CB MET A 133 11.341 -1.450 -4.824 1.00 1.53 C ATOM 1766 CG MET A 133 10.064 -1.413 -4.000 1.00 1.39 C ATOM 1767 SD MET A 133 8.814 -2.560 -4.606 1.00 2.20 S ATOM 1768 CE MET A 133 7.593 -1.422 -5.252 1.00 2.47 C ATOM 0 H MET A 133 13.076 -1.046 -6.540 1.00 1.28 H new ATOM 0 HA MET A 133 11.142 0.615 -5.353 1.00 1.23 H new ATOM 0 HB2 MET A 133 11.132 -1.924 -5.783 1.00 1.53 H new ATOM 0 HB3 MET A 133 12.076 -2.073 -4.314 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.298 -1.652 -2.963 1.00 1.39 H new ATOM 0 HG3 MET A 133 9.659 -0.401 -4.010 1.00 1.39 H new ATOM 0 HE1 MET A 133 7.090 -1.875 -6.107 1.00 2.47 H new ATOM 0 HE2 MET A 133 6.860 -1.196 -4.477 1.00 2.47 H new ATOM 0 HE3 MET A 133 8.084 -0.501 -5.566 1.00 2.47 H new ATOM 1778 N GLU A 134 13.871 0.092 -3.597 1.00 1.00 N ATOM 1779 CA GLU A 134 14.605 0.549 -2.423 1.00 0.98 C ATOM 1780 C GLU A 134 14.581 2.071 -2.365 1.00 0.85 C ATOM 1781 O GLU A 134 14.031 2.664 -1.432 1.00 0.92 O ATOM 1782 CB GLU A 134 16.048 0.043 -2.459 1.00 1.17 C ATOM 1783 CG GLU A 134 16.253 -1.267 -1.716 1.00 1.00 C ATOM 1784 CD GLU A 134 15.844 -1.179 -0.259 1.00 1.57 C ATOM 1785 OE1 GLU A 134 16.646 -0.672 0.554 1.00 2.40 O ATOM 1786 OE2 GLU A 134 14.722 -1.618 0.070 1.00 2.11 O ATOM 0 H GLU A 134 14.405 -0.508 -4.226 1.00 1.00 H new ATOM 0 HA GLU A 134 14.126 0.148 -1.530 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.353 -0.087 -3.497 1.00 1.17 H new ATOM 0 HB3 GLU A 134 16.701 0.802 -2.027 1.00 1.17 H new ATOM 0 HG2 GLU A 134 15.676 -2.052 -2.205 1.00 1.00 H new ATOM 0 HG3 GLU A 134 17.302 -1.556 -1.779 1.00 1.00 H new ATOM 1793 N SER A 135 15.153 2.701 -3.388 1.00 0.80 N ATOM 1794 CA SER A 135 15.167 4.155 -3.467 1.00 0.84 C ATOM 1795 C SER A 135 13.736 4.677 -3.507 1.00 0.80 C ATOM 1796 O SER A 135 13.431 5.744 -2.972 1.00 0.82 O ATOM 1797 CB SER A 135 15.932 4.617 -4.711 1.00 0.97 C ATOM 1798 OG SER A 135 16.334 5.970 -4.589 1.00 1.29 O ATOM 0 H SER A 135 15.610 2.229 -4.168 1.00 0.80 H new ATOM 0 HA SER A 135 15.672 4.553 -2.586 1.00 0.84 H new ATOM 0 HB2 SER A 135 16.808 3.986 -4.858 1.00 0.97 H new ATOM 0 HB3 SER A 135 15.303 4.499 -5.593 1.00 0.97 H new ATOM 0 HG SER A 135 16.822 6.240 -5.395 1.00 1.29 H new ATOM 1804 N LEU A 136 12.857 3.894 -4.132 1.00 0.81 N ATOM 1805 CA LEU A 136 11.447 4.244 -4.235 1.00 0.87 C ATOM 1806 C LEU A 136 10.845 4.400 -2.843 1.00 0.73 C ATOM 1807 O LEU A 136 10.360 5.472 -2.479 1.00 0.85 O ATOM 1808 CB LEU A 136 10.696 3.158 -5.014 1.00 0.98 C ATOM 1809 CG LEU A 136 9.275 3.514 -5.452 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.391 3.791 -4.245 1.00 1.17 C ATOM 1811 CD2 LEU A 136 9.289 4.705 -6.396 1.00 1.73 C ATOM 0 H LEU A 136 13.102 3.009 -4.576 1.00 0.81 H new ATOM 0 HA LEU A 136 11.354 5.191 -4.767 1.00 0.87 H new ATOM 0 HB2 LEU A 136 11.277 2.907 -5.901 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.652 2.260 -4.397 1.00 0.98 H new ATOM 0 HG LEU A 136 8.858 2.660 -5.986 1.00 1.16 H new ATOM 0 HD11 LEU A 136 7.385 4.042 -4.581 1.00 1.17 H new ATOM 0 HD12 LEU A 136 8.352 2.905 -3.612 1.00 1.17 H new ATOM 0 HD13 LEU A 136 8.802 4.625 -3.676 1.00 1.17 H new ATOM 0 HD21 LEU A 136 8.269 4.943 -6.697 1.00 1.73 H new ATOM 0 HD22 LEU A 136 9.728 5.565 -5.890 1.00 1.73 H new ATOM 0 HD23 LEU A 136 9.880 4.462 -7.279 1.00 1.73 H new ATOM 1817 N GLU A 137 10.892 3.323 -2.067 1.00 0.57 N ATOM 1818 CA GLU A 137 10.365 3.335 -0.710 1.00 0.51 C ATOM 1819 C GLU A 137 11.068 4.401 0.117 1.00 0.52 C ATOM 1820 O GLU A 137 10.452 5.073 0.945 1.00 0.53 O ATOM 1821 CB GLU A 137 10.543 1.960 -0.060 1.00 0.52 C ATOM 1822 CG GLU A 137 10.044 1.890 1.373 1.00 1.16 C ATOM 1823 CD GLU A 137 11.157 2.064 2.387 1.00 1.87 C ATOM 1824 OE1 GLU A 137 12.111 2.818 2.099 1.00 2.54 O ATOM 1825 OE2 GLU A 137 11.076 1.446 3.470 1.00 2.45 O ATOM 0 H GLU A 137 11.291 2.430 -2.356 1.00 0.57 H new ATOM 0 HA GLU A 137 9.301 3.568 -0.751 1.00 0.51 H new ATOM 0 HB2 GLU A 137 10.014 1.216 -0.656 1.00 0.52 H new ATOM 0 HB3 GLU A 137 11.600 1.693 -0.080 1.00 0.52 H new ATOM 0 HG2 GLU A 137 9.291 2.662 1.530 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.555 0.930 1.537 1.00 1.16 H new ATOM 1832 N THR A 138 12.365 4.555 -0.125 1.00 0.57 N ATOM 1833 CA THR A 138 13.161 5.544 0.586 1.00 0.67 C ATOM 1834 C THR A 138 12.714 6.963 0.229 1.00 0.69 C ATOM 1835 O THR A 138 12.874 7.890 1.023 1.00 0.77 O ATOM 1836 CB THR A 138 14.644 5.355 0.255 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.180 4.257 0.969 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.495 6.566 0.572 1.00 1.10 C ATOM 0 H THR A 138 12.886 4.006 -0.809 1.00 0.57 H new ATOM 0 HA THR A 138 13.013 5.402 1.657 1.00 0.67 H new ATOM 0 HB THR A 138 14.676 5.184 -0.821 1.00 0.82 H new ATOM 0 HG1 THR A 138 15.004 3.429 0.476 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.533 6.359 0.312 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.140 7.421 -0.003 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.426 6.791 1.636 1.00 1.10 H new ATOM 1843 N GLN A 139 12.161 7.128 -0.971 1.00 0.70 N ATOM 1844 CA GLN A 139 11.706 8.439 -1.424 1.00 0.79 C ATOM 1845 C GLN A 139 10.397 8.842 -0.745 1.00 0.67 C ATOM 1846 O GLN A 139 10.208 10.008 -0.397 1.00 0.67 O ATOM 1847 CB GLN A 139 11.533 8.445 -2.946 1.00 0.92 C ATOM 1848 CG GLN A 139 12.370 9.501 -3.656 1.00 1.04 C ATOM 1849 CD GLN A 139 13.542 8.904 -4.409 1.00 1.29 C ATOM 1850 OE1 GLN A 139 14.698 9.077 -4.021 1.00 2.28 O ATOM 1851 NE2 GLN A 139 13.249 8.195 -5.494 1.00 1.28 N ATOM 0 H GLN A 139 12.018 6.374 -1.643 1.00 0.70 H new ATOM 0 HA GLN A 139 12.467 9.169 -1.147 1.00 0.79 H new ATOM 0 HB2 GLN A 139 11.798 7.462 -3.336 1.00 0.92 H new ATOM 0 HB3 GLN A 139 10.482 8.609 -3.182 1.00 0.92 H new ATOM 0 HG2 GLN A 139 11.738 10.053 -4.352 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.740 10.219 -2.924 1.00 1.04 H new ATOM 0 HE21 GLN A 139 12.277 8.077 -5.779 1.00 1.28 H new ATOM 0 HE22 GLN A 139 13.996 7.768 -6.042 1.00 1.28 H new ATOM 1858 N ILE A 140 9.493 7.884 -0.554 1.00 0.60 N ATOM 1859 CA ILE A 140 8.212 8.179 0.093 1.00 0.52 C ATOM 1860 C ILE A 140 8.355 8.127 1.609 1.00 0.47 C ATOM 1861 O ILE A 140 7.660 8.835 2.336 1.00 0.48 O ATOM 1862 CB ILE A 140 7.066 7.218 -0.334 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.507 6.289 -1.483 1.00 0.57 C ATOM 1864 CG2 ILE A 140 5.818 8.022 -0.710 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.374 5.794 -2.361 1.00 1.12 C ATOM 0 H ILE A 140 9.618 6.911 -0.832 1.00 0.60 H new ATOM 0 HA ILE A 140 7.940 9.182 -0.235 1.00 0.52 H new ATOM 0 HB ILE A 140 6.820 6.578 0.514 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.228 6.819 -2.106 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.024 5.428 -1.059 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.022 7.340 -1.007 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.491 8.609 0.148 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.052 8.690 -1.539 1.00 0.52 H new ATOM 0 HD11 ILE A 140 6.775 5.148 -3.142 1.00 1.12 H new ATOM 0 HD12 ILE A 140 5.663 5.233 -1.755 1.00 1.12 H new ATOM 0 HD13 ILE A 140 5.869 6.645 -2.818 1.00 1.12 H new ATOM 1869 N MET A 141 9.257 7.275 2.081 1.00 0.47 N ATOM 1870 CA MET A 141 9.487 7.122 3.512 1.00 0.51 C ATOM 1871 C MET A 141 10.497 8.147 4.025 1.00 0.62 C ATOM 1872 O MET A 141 10.206 8.909 4.949 1.00 0.71 O ATOM 1873 CB MET A 141 9.971 5.704 3.823 1.00 0.51 C ATOM 1874 CG MET A 141 8.862 4.659 3.809 1.00 0.53 C ATOM 1875 SD MET A 141 7.853 4.714 2.313 1.00 1.02 S ATOM 1876 CE MET A 141 6.507 5.770 2.843 1.00 0.44 C ATOM 0 H MET A 141 9.841 6.680 1.494 1.00 0.47 H new ATOM 0 HA MET A 141 8.540 7.296 4.023 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.732 5.422 3.096 1.00 0.51 H new ATOM 0 HB3 MET A 141 10.449 5.700 4.803 1.00 0.51 H new ATOM 0 HG2 MET A 141 9.305 3.667 3.905 1.00 0.53 H new ATOM 0 HG3 MET A 141 8.221 4.807 4.678 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.732 5.783 2.077 1.00 0.44 H new ATOM 0 HE2 MET A 141 6.090 5.388 3.775 1.00 0.44 H new ATOM 0 HE3 MET A 141 6.879 6.782 3.000 1.00 0.44 H new ATOM 1886 N GLN A 142 11.686 8.153 3.430 1.00 0.66 N ATOM 1887 CA GLN A 142 12.742 9.076 3.839 1.00 0.79 C ATOM 1888 C GLN A 142 12.625 10.419 3.123 1.00 0.80 C ATOM 1889 O GLN A 142 12.751 11.475 3.743 1.00 0.85 O ATOM 1890 CB GLN A 142 14.116 8.463 3.566 1.00 0.90 C ATOM 1891 CG GLN A 142 15.225 9.048 4.424 1.00 1.34 C ATOM 1892 CD GLN A 142 16.542 8.316 4.255 1.00 1.47 C ATOM 1893 OE1 GLN A 142 17.489 8.845 3.672 1.00 1.64 O ATOM 1894 NE2 GLN A 142 16.608 7.091 4.763 1.00 1.85 N ATOM 0 H GLN A 142 11.943 7.530 2.664 1.00 0.66 H new ATOM 0 HA GLN A 142 12.628 9.252 4.909 1.00 0.79 H new ATOM 0 HB2 GLN A 142 14.065 7.388 3.737 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.367 8.607 2.515 1.00 0.90 H new ATOM 0 HG2 GLN A 142 15.362 10.098 4.167 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.926 9.012 5.472 1.00 1.34 H new ATOM 0 HE21 GLN A 142 15.799 6.692 5.238 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.468 6.549 4.678 1.00 1.85 H new ATOM 1901 N GLY A 143 12.397 10.373 1.813 1.00 0.79 N ATOM 1902 CA GLY A 143 12.280 11.594 1.029 1.00 0.84 C ATOM 1903 C GLY A 143 11.407 12.649 1.687 1.00 0.81 C ATOM 1904 O GLY A 143 11.606 13.845 1.476 1.00 1.05 O ATOM 0 H GLY A 143 12.291 9.511 1.278 1.00 0.79 H new ATOM 0 HA2 GLY A 143 13.275 12.008 0.863 1.00 0.84 H new ATOM 0 HA3 GLY A 143 11.868 11.351 0.050 1.00 0.84 H new ATOM 1908 N LEU A 144 10.442 12.207 2.484 1.00 0.75 N ATOM 1909 CA LEU A 144 9.541 13.126 3.171 1.00 0.72 C ATOM 1910 C LEU A 144 9.998 13.369 4.606 1.00 0.87 C ATOM 1911 O LEU A 144 9.762 14.436 5.172 1.00 1.01 O ATOM 1912 CB LEU A 144 8.113 12.578 3.168 1.00 0.62 C ATOM 1913 CG LEU A 144 7.429 12.561 1.800 1.00 0.66 C ATOM 1914 CD1 LEU A 144 7.648 11.222 1.115 1.00 0.58 C ATOM 1915 CD2 LEU A 144 5.943 12.851 1.944 1.00 0.81 C ATOM 0 H LEU A 144 10.263 11.220 2.671 1.00 0.75 H new ATOM 0 HA LEU A 144 9.560 14.075 2.635 1.00 0.72 H new ATOM 0 HB2 LEU A 144 8.129 11.562 3.562 1.00 0.62 H new ATOM 0 HB3 LEU A 144 7.509 13.175 3.852 1.00 0.62 H new ATOM 0 HG LEU A 144 7.872 13.341 1.181 1.00 0.66 H new ATOM 0 HD11 LEU A 144 7.155 11.226 0.143 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.716 11.053 0.980 1.00 0.58 H new ATOM 0 HD13 LEU A 144 7.230 10.426 1.731 1.00 0.58 H new ATOM 0 HD21 LEU A 144 5.472 12.835 0.961 1.00 0.81 H new ATOM 0 HD22 LEU A 144 5.484 12.093 2.579 1.00 0.81 H new ATOM 0 HD23 LEU A 144 5.806 13.833 2.396 1.00 0.81 H new ATOM 1921 N GLY A 145 10.649 12.368 5.192 1.00 0.91 N ATOM 1922 CA GLY A 145 11.122 12.493 6.557 1.00 1.11 C ATOM 1923 C GLY A 145 9.999 12.371 7.568 1.00 1.11 C ATOM 1924 O GLY A 145 9.692 13.324 8.284 1.00 1.24 O ATOM 0 H GLY A 145 10.856 11.475 4.746 1.00 0.91 H new ATOM 0 HA2 GLY A 145 11.869 11.724 6.752 1.00 1.11 H new ATOM 0 HA3 GLY A 145 11.617 13.456 6.681 1.00 1.11 H new ATOM 1928 N PHE A 146 9.383 11.194 7.625 1.00 1.15 N ATOM 1929 CA PHE A 146 8.283 10.946 8.551 1.00 1.25 C ATOM 1930 C PHE A 146 8.683 11.293 9.983 1.00 1.47 C ATOM 1931 O PHE A 146 7.962 12.011 10.673 1.00 99.99 O ATOM 1932 CB PHE A 146 7.845 9.482 8.475 1.00 1.63 C ATOM 1933 CG PHE A 146 6.804 9.221 7.423 1.00 1.09 C ATOM 1934 CD1 PHE A 146 7.082 9.444 6.085 1.00 1.74 C ATOM 1935 CD2 PHE A 146 5.549 8.750 7.774 1.00 1.15 C ATOM 1936 CE1 PHE A 146 6.127 9.205 5.115 1.00 1.65 C ATOM 1937 CE2 PHE A 146 4.590 8.508 6.809 1.00 1.15 C ATOM 1938 CZ PHE A 146 4.879 8.736 5.477 1.00 0.93 C ATOM 0 H PHE A 146 9.628 10.395 7.039 1.00 1.15 H new ATOM 0 HA PHE A 146 7.449 11.585 8.261 1.00 1.25 H new ATOM 0 HB2 PHE A 146 8.717 8.860 8.274 1.00 1.63 H new ATOM 0 HB3 PHE A 146 7.454 9.177 9.446 1.00 1.63 H new ATOM 0 HD1 PHE A 146 8.057 9.809 5.796 1.00 1.74 H new ATOM 0 HD2 PHE A 146 5.318 8.570 8.813 1.00 1.15 H new ATOM 0 HE1 PHE A 146 6.356 9.385 4.075 1.00 1.65 H new ATOM 0 HE2 PHE A 146 3.616 8.141 7.096 1.00 1.15 H new ATOM 0 HZ PHE A 146 4.131 8.548 4.721 1.00 0.93 H new