USER MOD reduce.3.24.130724 H: found=0, std=0, add=1233, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1227 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 99 ASN : amide:sc= 0.145 K(o=0.78,f=-1.2) USER MOD Set 1.2: A 101 TYR OH : rot 40:sc= 0.635 USER MOD Set 2.1: A 28 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.21) USER MOD Set 2.2: A 34 CYS SG : rot -31:sc= 0 USER MOD Set 3.1: A 21 ASN :FLIP amide:sc= -0.454 F(o=-1.9,f=-0.46) USER MOD Set 3.2: A 142 TYR OH : rot 132:sc= -0.0015 USER MOD Set 4.1: A 15 THR OG1 : rot -44:sc= 1.72 USER MOD Set 4.2: A 63 LYS NZ :NH3+ -171:sc= 0.694 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.139 (180deg=0) USER MOD Single : A 3 SER OG : rot 55:sc= 0.645 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.314 USER MOD Single : A 24 ASN : amide:sc= -0.137 K(o=-0.14,f=-3.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0377 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -10:sc= -0.369 USER MOD Single : A 48 GLN : amide:sc= -0.711 K(o=-0.71,f=-5.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.019) USER MOD Single : A 67 HIS : no HE2:sc= -10.5! C(o=-11!,f=-10!) USER MOD Single : A 72 ASN : amide:sc=-0.00679 K(o=-0.0068,f=-0.78!) USER MOD Single : A 74 ASN : amide:sc= -0.0234 K(o=-0.023,f=-2.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -3.68! C(o=-3.7!,f=-5.5!) USER MOD Single : A 89 TYR OH : rot -165:sc= 0.315 USER MOD Single : A 91 SER OG : rot 110:sc= 0.438 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.3!) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 160:sc= 0.606 (180deg=0.272) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 147:sc= 0.0116 USER MOD Single : A 115 SER OG : rot 174:sc= 0.183 USER MOD Single : A 117 ASN : amide:sc= 0.233 X(o=0.23,f=-0.25) USER MOD Single : A 118 LYS NZ :NH3+ 167:sc=-0.00257 (180deg=-0.045) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0.239 K(o=0.24,f=-1.1) USER MOD Single : A 124 SER OG : rot 76:sc= 0.381 USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 127 HIS : no HD1:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 130 THR OG1 : rot 83:sc= 1.02 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 CYS SG : rot 24:sc= -0.254 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0484) USER MOD Single : A 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot 83:sc= 0.403 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.601 -10.315 9.423 1.00 2.28 N ATOM 2 CA ALA A 1 -14.343 -9.364 8.329 1.00 2.43 C ATOM 3 C ALA A 1 -15.337 -9.614 7.207 1.00 2.23 C ATOM 4 O ALA A 1 -15.779 -10.750 7.072 1.00 2.29 O ATOM 5 CB ALA A 1 -12.903 -9.510 7.825 1.00 3.03 C ATOM 0 H1 ALA A 1 -13.697 -10.664 9.800 1.00 2.28 H new ATOM 0 H2 ALA A 1 -15.131 -9.838 10.180 1.00 2.28 H new ATOM 0 H3 ALA A 1 -15.157 -11.116 9.062 1.00 2.28 H new ATOM 0 HA ALA A 1 -14.467 -8.344 8.694 1.00 2.43 H new ATOM 0 HB1 ALA A 1 -12.727 -8.801 7.016 1.00 3.03 H new ATOM 0 HB2 ALA A 1 -12.210 -9.309 8.642 1.00 3.03 H new ATOM 0 HB3 ALA A 1 -12.747 -10.524 7.458 1.00 3.03 H new ATOM 11 N PRO A 2 -15.713 -8.582 6.441 1.00 2.99 N ATOM 12 CA PRO A 2 -16.632 -8.708 5.327 1.00 3.41 C ATOM 13 C PRO A 2 -15.982 -9.459 4.166 1.00 2.42 C ATOM 14 O PRO A 2 -16.338 -10.612 3.937 1.00 2.89 O ATOM 15 CB PRO A 2 -17.068 -7.286 4.969 1.00 4.87 C ATOM 16 CG PRO A 2 -15.922 -6.416 5.472 1.00 5.09 C ATOM 17 CD PRO A 2 -15.350 -7.195 6.658 1.00 4.21 C ATOM 0 HA PRO A 2 -17.509 -9.303 5.582 1.00 3.41 H new ATOM 0 HB2 PRO A 2 -17.216 -7.171 3.895 1.00 4.87 H new ATOM 0 HB3 PRO A 2 -18.010 -7.024 5.450 1.00 4.87 H new ATOM 0 HG2 PRO A 2 -15.170 -6.261 4.698 1.00 5.09 H new ATOM 0 HG3 PRO A 2 -16.274 -5.430 5.776 1.00 5.09 H new ATOM 0 HD2 PRO A 2 -14.268 -7.080 6.714 1.00 4.21 H new ATOM 0 HD3 PRO A 2 -15.759 -6.828 7.599 1.00 4.21 H new ATOM 25 N SER A 3 -15.081 -8.842 3.390 1.00 1.38 N ATOM 26 CA SER A 3 -14.590 -9.501 2.182 1.00 1.06 C ATOM 27 C SER A 3 -13.449 -8.695 1.572 1.00 0.91 C ATOM 28 O SER A 3 -12.836 -7.884 2.260 1.00 0.97 O ATOM 29 CB SER A 3 -15.764 -9.695 1.199 1.00 1.62 C ATOM 30 OG SER A 3 -16.152 -11.051 1.199 1.00 2.55 O ATOM 0 H SER A 3 -14.690 -7.918 3.571 1.00 1.38 H new ATOM 0 HA SER A 3 -14.189 -10.485 2.424 1.00 1.06 H new ATOM 0 HB2 SER A 3 -16.604 -9.064 1.489 1.00 1.62 H new ATOM 0 HB3 SER A 3 -15.468 -9.390 0.196 1.00 1.62 H new ATOM 0 HG SER A 3 -16.352 -11.334 2.116 1.00 2.55 H new ATOM 36 N TYR A 4 -13.147 -8.945 0.295 1.00 0.90 N ATOM 37 CA TYR A 4 -12.170 -8.224 -0.489 1.00 0.86 C ATOM 38 C TYR A 4 -12.815 -7.884 -1.815 1.00 0.77 C ATOM 39 O TYR A 4 -13.554 -8.701 -2.367 1.00 0.95 O ATOM 40 CB TYR A 4 -10.894 -9.054 -0.703 1.00 1.23 C ATOM 41 CG TYR A 4 -10.959 -10.445 -0.117 1.00 1.13 C ATOM 42 CD1 TYR A 4 -11.764 -11.415 -0.737 1.00 1.74 C ATOM 43 CD2 TYR A 4 -10.324 -10.729 1.101 1.00 2.12 C ATOM 44 CE1 TYR A 4 -11.901 -12.688 -0.164 1.00 2.14 C ATOM 45 CE2 TYR A 4 -10.479 -11.989 1.695 1.00 2.24 C ATOM 46 CZ TYR A 4 -11.254 -12.985 1.055 1.00 1.83 C ATOM 47 OH TYR A 4 -11.402 -14.219 1.611 1.00 2.37 O ATOM 0 H TYR A 4 -13.602 -9.689 -0.233 1.00 0.90 H new ATOM 0 HA TYR A 4 -11.867 -7.319 0.037 1.00 0.86 H new ATOM 0 HB2 TYR A 4 -10.698 -9.130 -1.773 1.00 1.23 H new ATOM 0 HB3 TYR A 4 -10.050 -8.524 -0.261 1.00 1.23 H new ATOM 0 HD1 TYR A 4 -12.279 -11.180 -1.657 1.00 1.74 H new ATOM 0 HD2 TYR A 4 -9.716 -9.977 1.581 1.00 2.12 H new ATOM 0 HE1 TYR A 4 -12.501 -13.440 -0.655 1.00 2.14 H new ATOM 0 HE2 TYR A 4 -10.006 -12.200 2.643 1.00 2.24 H new ATOM 0 HH TYR A 4 -10.893 -14.264 2.447 1.00 2.37 H new ATOM 57 N HIS A 5 -12.517 -6.699 -2.338 1.00 0.70 N ATOM 58 CA HIS A 5 -13.011 -6.281 -3.637 1.00 0.81 C ATOM 59 C HIS A 5 -11.873 -5.567 -4.353 1.00 0.75 C ATOM 60 O HIS A 5 -10.994 -5.008 -3.701 1.00 0.97 O ATOM 61 CB HIS A 5 -14.243 -5.382 -3.456 1.00 0.96 C ATOM 62 CG HIS A 5 -15.215 -5.467 -4.606 1.00 1.33 C ATOM 63 ND1 HIS A 5 -16.349 -6.249 -4.632 1.00 2.23 N ATOM 64 CD2 HIS A 5 -15.147 -4.791 -5.794 1.00 0.99 C ATOM 65 CE1 HIS A 5 -16.953 -6.045 -5.815 1.00 2.35 C ATOM 66 NE2 HIS A 5 -16.255 -5.171 -6.558 1.00 1.57 N ATOM 0 H HIS A 5 -11.929 -6.007 -1.873 1.00 0.70 H new ATOM 0 HA HIS A 5 -13.328 -7.132 -4.240 1.00 0.81 H new ATOM 0 HB2 HIS A 5 -14.755 -5.660 -2.535 1.00 0.96 H new ATOM 0 HB3 HIS A 5 -13.917 -4.348 -3.340 1.00 0.96 H new ATOM 0 HD2 HIS A 5 -14.378 -4.092 -6.088 1.00 0.99 H new ATOM 0 HE1 HIS A 5 -17.873 -6.519 -6.125 1.00 2.35 H new ATOM 0 HE2 HIS A 5 -16.488 -4.847 -7.497 1.00 1.57 H new ATOM 74 N VAL A 6 -11.873 -5.581 -5.684 1.00 0.62 N ATOM 75 CA VAL A 6 -10.864 -4.909 -6.485 1.00 0.62 C ATOM 76 C VAL A 6 -11.579 -3.985 -7.465 1.00 0.58 C ATOM 77 O VAL A 6 -12.679 -4.319 -7.906 1.00 0.61 O ATOM 78 CB VAL A 6 -9.962 -5.964 -7.138 1.00 0.87 C ATOM 79 CG1 VAL A 6 -10.697 -6.852 -8.150 1.00 1.47 C ATOM 80 CG2 VAL A 6 -8.752 -5.308 -7.804 1.00 2.43 C ATOM 0 H VAL A 6 -12.581 -6.064 -6.237 1.00 0.62 H new ATOM 0 HA VAL A 6 -10.201 -4.282 -5.889 1.00 0.62 H new ATOM 0 HB VAL A 6 -9.629 -6.614 -6.329 1.00 0.87 H new ATOM 0 HG11 VAL A 6 -10.000 -7.575 -8.573 1.00 1.47 H new ATOM 0 HG12 VAL A 6 -11.508 -7.380 -7.649 1.00 1.47 H new ATOM 0 HG13 VAL A 6 -11.106 -6.232 -8.948 1.00 1.47 H new ATOM 0 HG21 VAL A 6 -8.127 -6.076 -8.260 1.00 2.43 H new ATOM 0 HG22 VAL A 6 -9.092 -4.613 -8.572 1.00 2.43 H new ATOM 0 HG23 VAL A 6 -8.173 -4.767 -7.055 1.00 2.43 H new ATOM 90 N VAL A 7 -11.020 -2.805 -7.744 1.00 0.57 N ATOM 91 CA VAL A 7 -11.663 -1.837 -8.614 1.00 0.61 C ATOM 92 C VAL A 7 -10.630 -1.188 -9.534 1.00 0.62 C ATOM 93 O VAL A 7 -9.597 -0.682 -9.090 1.00 0.79 O ATOM 94 CB VAL A 7 -12.467 -0.833 -7.766 1.00 0.78 C ATOM 95 CG1 VAL A 7 -11.595 0.082 -6.897 1.00 1.74 C ATOM 96 CG2 VAL A 7 -13.381 0.025 -8.647 1.00 2.46 C ATOM 0 H VAL A 7 -10.119 -2.503 -7.374 1.00 0.57 H new ATOM 0 HA VAL A 7 -12.380 -2.329 -9.271 1.00 0.61 H new ATOM 0 HB VAL A 7 -13.065 -1.444 -7.090 1.00 0.78 H new ATOM 0 HG11 VAL A 7 -12.232 0.760 -6.330 1.00 1.74 H new ATOM 0 HG12 VAL A 7 -11.006 -0.524 -6.208 1.00 1.74 H new ATOM 0 HG13 VAL A 7 -10.926 0.660 -7.535 1.00 1.74 H new ATOM 0 HG21 VAL A 7 -13.936 0.725 -8.022 1.00 2.46 H new ATOM 0 HG22 VAL A 7 -12.778 0.580 -9.365 1.00 2.46 H new ATOM 0 HG23 VAL A 7 -14.080 -0.618 -9.181 1.00 2.46 H new ATOM 106 N ARG A 8 -10.930 -1.124 -10.829 1.00 0.63 N ATOM 107 CA ARG A 8 -9.991 -0.563 -11.781 1.00 0.67 C ATOM 108 C ARG A 8 -10.158 0.948 -11.778 1.00 0.66 C ATOM 109 O ARG A 8 -10.923 1.489 -12.575 1.00 0.84 O ATOM 110 CB ARG A 8 -10.248 -1.147 -13.172 1.00 0.86 C ATOM 111 CG ARG A 8 -9.220 -0.612 -14.174 1.00 2.25 C ATOM 112 CD ARG A 8 -9.382 -1.322 -15.518 1.00 2.98 C ATOM 113 NE ARG A 8 -9.294 -0.399 -16.657 1.00 4.72 N ATOM 114 CZ ARG A 8 -10.301 0.372 -17.090 1.00 5.31 C ATOM 115 NH1 ARG A 8 -10.171 1.068 -18.219 1.00 7.04 N ATOM 116 NH2 ARG A 8 -11.441 0.439 -16.399 1.00 4.69 N ATOM 0 H ARG A 8 -11.807 -1.451 -11.234 1.00 0.63 H new ATOM 0 HA ARG A 8 -8.967 -0.813 -11.504 1.00 0.67 H new ATOM 0 HB2 ARG A 8 -10.194 -2.235 -13.132 1.00 0.86 H new ATOM 0 HB3 ARG A 8 -11.255 -0.889 -13.501 1.00 0.86 H new ATOM 0 HG2 ARG A 8 -9.351 0.462 -14.303 1.00 2.25 H new ATOM 0 HG3 ARG A 8 -8.211 -0.767 -13.791 1.00 2.25 H new ATOM 0 HD2 ARG A 8 -8.613 -2.088 -15.615 1.00 2.98 H new ATOM 0 HD3 ARG A 8 -10.345 -1.832 -15.542 1.00 2.98 H new ATOM 0 HE ARG A 8 -8.405 -0.341 -17.153 1.00 4.72 H new ATOM 0 HH11 ARG A 8 -9.304 1.014 -18.754 1.00 7.04 H new ATOM 0 HH12 ARG A 8 -10.938 1.655 -18.548 1.00 7.04 H new ATOM 0 HH21 ARG A 8 -11.548 -0.098 -15.538 1.00 4.69 H new ATOM 0 HH22 ARG A 8 -12.205 1.027 -16.732 1.00 4.69 H new ATOM 130 N GLY A 9 -9.412 1.616 -10.904 1.00 0.65 N ATOM 131 CA GLY A 9 -9.286 3.056 -10.871 1.00 0.69 C ATOM 132 C GLY A 9 -7.815 3.391 -10.684 1.00 0.63 C ATOM 133 O GLY A 9 -6.940 2.610 -11.060 1.00 0.77 O ATOM 0 H GLY A 9 -8.865 1.150 -10.180 1.00 0.65 H new ATOM 0 HA2 GLY A 9 -9.663 3.493 -11.796 1.00 0.69 H new ATOM 0 HA3 GLY A 9 -9.879 3.473 -10.057 1.00 0.69 H new ATOM 137 N ASP A 10 -7.543 4.539 -10.079 1.00 0.58 N ATOM 138 CA ASP A 10 -6.212 5.102 -9.959 1.00 0.56 C ATOM 139 C ASP A 10 -6.065 5.587 -8.523 1.00 0.50 C ATOM 140 O ASP A 10 -7.048 5.730 -7.801 1.00 0.45 O ATOM 141 CB ASP A 10 -6.022 6.265 -10.948 1.00 0.67 C ATOM 142 CG ASP A 10 -6.036 5.823 -12.416 1.00 1.99 C ATOM 143 OD1 ASP A 10 -4.952 5.467 -12.937 1.00 2.43 O ATOM 144 OD2 ASP A 10 -7.133 5.872 -13.016 1.00 3.69 O ATOM 0 H ASP A 10 -8.264 5.117 -9.648 1.00 0.58 H new ATOM 0 HA ASP A 10 -5.453 4.356 -10.195 1.00 0.56 H new ATOM 0 HB2 ASP A 10 -6.812 7.000 -10.790 1.00 0.67 H new ATOM 0 HB3 ASP A 10 -5.076 6.763 -10.735 1.00 0.67 H new ATOM 149 N ILE A 11 -4.838 5.874 -8.096 1.00 0.57 N ATOM 150 CA ILE A 11 -4.591 6.346 -6.741 1.00 0.59 C ATOM 151 C ILE A 11 -5.382 7.624 -6.471 1.00 0.54 C ATOM 152 O ILE A 11 -6.029 7.792 -5.442 1.00 0.53 O ATOM 153 CB ILE A 11 -3.066 6.498 -6.561 1.00 0.77 C ATOM 154 CG1 ILE A 11 -2.645 6.455 -5.096 1.00 1.96 C ATOM 155 CG2 ILE A 11 -2.458 7.733 -7.248 1.00 2.27 C ATOM 156 CD1 ILE A 11 -3.335 7.481 -4.207 1.00 3.82 C ATOM 0 H ILE A 11 -4.000 5.787 -8.671 1.00 0.57 H new ATOM 0 HA ILE A 11 -4.942 5.632 -5.996 1.00 0.59 H new ATOM 0 HB ILE A 11 -2.658 5.627 -7.073 1.00 0.77 H new ATOM 0 HG12 ILE A 11 -2.847 5.459 -4.703 1.00 1.96 H new ATOM 0 HG13 ILE A 11 -1.568 6.609 -5.037 1.00 1.96 H new ATOM 0 HG21 ILE A 11 -1.383 7.757 -7.068 1.00 2.27 H new ATOM 0 HG22 ILE A 11 -2.645 7.682 -8.321 1.00 2.27 H new ATOM 0 HG23 ILE A 11 -2.914 8.636 -6.843 1.00 2.27 H new ATOM 0 HD11 ILE A 11 -2.974 7.377 -3.184 1.00 3.82 H new ATOM 0 HD12 ILE A 11 -3.113 8.485 -4.570 1.00 3.82 H new ATOM 0 HD13 ILE A 11 -4.412 7.317 -4.230 1.00 3.82 H new ATOM 168 N ALA A 12 -5.355 8.520 -7.444 1.00 0.60 N ATOM 169 CA ALA A 12 -5.956 9.834 -7.365 1.00 0.64 C ATOM 170 C ALA A 12 -7.484 9.759 -7.375 1.00 0.60 C ATOM 171 O ALA A 12 -8.138 10.791 -7.244 1.00 0.68 O ATOM 172 CB ALA A 12 -5.432 10.697 -8.518 1.00 0.76 C ATOM 0 H ALA A 12 -4.898 8.343 -8.339 1.00 0.60 H new ATOM 0 HA ALA A 12 -5.675 10.293 -6.417 1.00 0.64 H new ATOM 0 HB1 ALA A 12 -5.881 11.689 -8.464 1.00 0.76 H new ATOM 0 HB2 ALA A 12 -4.348 10.785 -8.443 1.00 0.76 H new ATOM 0 HB3 ALA A 12 -5.693 10.232 -9.469 1.00 0.76 H new ATOM 178 N THR A 13 -8.057 8.561 -7.521 1.00 0.54 N ATOM 179 CA THR A 13 -9.493 8.353 -7.473 1.00 0.55 C ATOM 180 C THR A 13 -9.865 7.306 -6.416 1.00 0.48 C ATOM 181 O THR A 13 -11.038 6.968 -6.286 1.00 0.52 O ATOM 182 CB THR A 13 -10.005 8.005 -8.879 1.00 0.63 C ATOM 183 OG1 THR A 13 -9.305 6.908 -9.434 1.00 0.62 O ATOM 184 CG2 THR A 13 -9.802 9.191 -9.827 1.00 0.77 C ATOM 0 H THR A 13 -7.525 7.705 -7.677 1.00 0.54 H new ATOM 0 HA THR A 13 -9.989 9.272 -7.162 1.00 0.55 H new ATOM 0 HB THR A 13 -11.061 7.757 -8.773 1.00 0.63 H new ATOM 0 HG1 THR A 13 -9.657 6.713 -10.327 1.00 0.62 H new ATOM 0 HG21 THR A 13 -10.169 8.930 -10.820 1.00 0.77 H new ATOM 0 HG22 THR A 13 -10.351 10.055 -9.452 1.00 0.77 H new ATOM 0 HG23 THR A 13 -8.741 9.433 -9.885 1.00 0.77 H new ATOM 192 N ALA A 14 -8.905 6.858 -5.596 1.00 0.44 N ATOM 193 CA ALA A 14 -9.123 5.924 -4.499 1.00 0.45 C ATOM 194 C ALA A 14 -9.591 6.699 -3.266 1.00 0.47 C ATOM 195 O ALA A 14 -8.948 6.706 -2.221 1.00 0.51 O ATOM 196 CB ALA A 14 -7.817 5.168 -4.219 1.00 0.45 C ATOM 0 H ALA A 14 -7.931 7.147 -5.685 1.00 0.44 H new ATOM 0 HA ALA A 14 -9.893 5.198 -4.760 1.00 0.45 H new ATOM 0 HB1 ALA A 14 -7.971 4.467 -3.399 1.00 0.45 H new ATOM 0 HB2 ALA A 14 -7.514 4.621 -5.112 1.00 0.45 H new ATOM 0 HB3 ALA A 14 -7.037 5.878 -3.947 1.00 0.45 H new ATOM 202 N THR A 15 -10.717 7.398 -3.380 1.00 0.51 N ATOM 203 CA THR A 15 -11.264 8.210 -2.294 1.00 0.55 C ATOM 204 C THR A 15 -12.050 7.351 -1.288 1.00 0.51 C ATOM 205 O THR A 15 -13.092 7.762 -0.777 1.00 0.58 O ATOM 206 CB THR A 15 -12.011 9.441 -2.832 1.00 0.77 C ATOM 207 OG1 THR A 15 -12.694 10.152 -1.813 1.00 2.90 O ATOM 208 CG2 THR A 15 -13.011 9.024 -3.893 1.00 2.02 C ATOM 0 H THR A 15 -11.279 7.418 -4.231 1.00 0.51 H new ATOM 0 HA THR A 15 -10.440 8.624 -1.713 1.00 0.55 H new ATOM 0 HB THR A 15 -11.256 10.103 -3.257 1.00 0.77 H new ATOM 0 HG1 THR A 15 -13.158 9.518 -1.227 1.00 2.90 H new ATOM 0 HG21 THR A 15 -13.534 9.905 -4.266 1.00 2.02 H new ATOM 0 HG22 THR A 15 -12.487 8.537 -4.716 1.00 2.02 H new ATOM 0 HG23 THR A 15 -13.732 8.330 -3.461 1.00 2.02 H new ATOM 216 N GLU A 16 -11.496 6.216 -0.873 1.00 0.51 N ATOM 217 CA GLU A 16 -12.038 5.370 0.187 1.00 0.58 C ATOM 218 C GLU A 16 -11.816 5.969 1.584 1.00 0.64 C ATOM 219 O GLU A 16 -11.878 5.268 2.588 1.00 0.71 O ATOM 220 CB GLU A 16 -11.372 3.992 0.070 1.00 0.62 C ATOM 221 CG GLU A 16 -12.138 3.077 -0.893 1.00 0.62 C ATOM 222 CD GLU A 16 -12.169 3.614 -2.327 1.00 1.80 C ATOM 223 OE1 GLU A 16 -11.132 4.164 -2.768 1.00 3.10 O ATOM 224 OE2 GLU A 16 -13.239 3.479 -2.959 1.00 2.59 O ATOM 0 H GLU A 16 -10.634 5.848 -1.275 1.00 0.51 H new ATOM 0 HA GLU A 16 -13.118 5.289 0.065 1.00 0.58 H new ATOM 0 HB2 GLU A 16 -10.346 4.111 -0.278 1.00 0.62 H new ATOM 0 HB3 GLU A 16 -11.322 3.526 1.054 1.00 0.62 H new ATOM 0 HG2 GLU A 16 -11.678 2.089 -0.890 1.00 0.62 H new ATOM 0 HG3 GLU A 16 -13.160 2.954 -0.534 1.00 0.62 H new ATOM 231 N GLY A 17 -11.512 7.263 1.689 1.00 0.74 N ATOM 232 CA GLY A 17 -11.219 7.897 2.965 1.00 0.80 C ATOM 233 C GLY A 17 -9.760 7.700 3.365 1.00 0.75 C ATOM 234 O GLY A 17 -9.196 8.558 4.038 1.00 0.91 O ATOM 0 H GLY A 17 -11.463 7.896 0.891 1.00 0.74 H new ATOM 0 HA2 GLY A 17 -11.439 8.963 2.902 1.00 0.80 H new ATOM 0 HA3 GLY A 17 -11.868 7.482 3.736 1.00 0.80 H new ATOM 238 N VAL A 18 -9.167 6.569 2.975 1.00 0.64 N ATOM 239 CA VAL A 18 -7.849 6.140 3.396 1.00 0.70 C ATOM 240 C VAL A 18 -7.207 5.431 2.210 1.00 0.69 C ATOM 241 O VAL A 18 -7.872 4.658 1.521 1.00 0.70 O ATOM 242 CB VAL A 18 -7.986 5.163 4.572 1.00 0.78 C ATOM 243 CG1 VAL A 18 -6.630 4.927 5.248 1.00 0.93 C ATOM 244 CG2 VAL A 18 -8.985 5.645 5.625 1.00 1.32 C ATOM 0 H VAL A 18 -9.614 5.911 2.336 1.00 0.64 H new ATOM 0 HA VAL A 18 -7.242 6.987 3.715 1.00 0.70 H new ATOM 0 HB VAL A 18 -8.360 4.231 4.148 1.00 0.78 H new ATOM 0 HG11 VAL A 18 -6.753 4.231 6.078 1.00 0.93 H new ATOM 0 HG12 VAL A 18 -5.931 4.508 4.524 1.00 0.93 H new ATOM 0 HG13 VAL A 18 -6.241 5.874 5.623 1.00 0.93 H new ATOM 0 HG21 VAL A 18 -9.042 4.916 6.433 1.00 1.32 H new ATOM 0 HG22 VAL A 18 -8.658 6.605 6.025 1.00 1.32 H new ATOM 0 HG23 VAL A 18 -9.968 5.758 5.169 1.00 1.32 H new ATOM 254 N ILE A 19 -5.918 5.683 1.994 1.00 0.72 N ATOM 255 CA ILE A 19 -5.134 5.174 0.886 1.00 0.76 C ATOM 256 C ILE A 19 -3.785 4.789 1.480 1.00 0.76 C ATOM 257 O ILE A 19 -3.325 5.485 2.375 1.00 0.78 O ATOM 258 CB ILE A 19 -4.932 6.288 -0.158 1.00 0.80 C ATOM 259 CG1 ILE A 19 -6.251 6.968 -0.565 1.00 0.77 C ATOM 260 CG2 ILE A 19 -4.232 5.735 -1.406 1.00 0.96 C ATOM 261 CD1 ILE A 19 -6.070 8.115 -1.571 1.00 1.28 C ATOM 0 H ILE A 19 -5.372 6.276 2.619 1.00 0.72 H new ATOM 0 HA ILE A 19 -5.622 4.331 0.397 1.00 0.76 H new ATOM 0 HB ILE A 19 -4.305 7.045 0.314 1.00 0.80 H new ATOM 0 HG12 ILE A 19 -6.917 6.220 -0.996 1.00 0.77 H new ATOM 0 HG13 ILE A 19 -6.741 7.354 0.329 1.00 0.77 H new ATOM 0 HG21 ILE A 19 -4.098 6.536 -2.133 1.00 0.96 H new ATOM 0 HG22 ILE A 19 -3.259 5.330 -1.128 1.00 0.96 H new ATOM 0 HG23 ILE A 19 -4.841 4.945 -1.845 1.00 0.96 H new ATOM 0 HD11 ILE A 19 -7.042 8.546 -1.811 1.00 1.28 H new ATOM 0 HD12 ILE A 19 -5.430 8.883 -1.136 1.00 1.28 H new ATOM 0 HD13 ILE A 19 -5.609 7.731 -2.481 1.00 1.28 H new ATOM 273 N ILE A 20 -3.116 3.752 0.980 1.00 0.75 N ATOM 274 CA ILE A 20 -1.769 3.396 1.398 1.00 0.74 C ATOM 275 C ILE A 20 -0.907 3.408 0.146 1.00 0.75 C ATOM 276 O ILE A 20 -1.353 2.924 -0.891 1.00 0.78 O ATOM 277 CB ILE A 20 -1.775 2.013 2.063 1.00 0.76 C ATOM 278 CG1 ILE A 20 -2.704 1.962 3.284 1.00 0.75 C ATOM 279 CG2 ILE A 20 -0.376 1.621 2.537 1.00 0.88 C ATOM 280 CD1 ILE A 20 -4.163 1.761 2.908 1.00 0.66 C ATOM 0 H ILE A 20 -3.500 3.132 0.267 1.00 0.75 H new ATOM 0 HA ILE A 20 -1.376 4.099 2.132 1.00 0.74 H new ATOM 0 HB ILE A 20 -2.131 1.320 1.301 1.00 0.76 H new ATOM 0 HG12 ILE A 20 -2.388 1.152 3.941 1.00 0.75 H new ATOM 0 HG13 ILE A 20 -2.604 2.888 3.850 1.00 0.75 H new ATOM 0 HG21 ILE A 20 -0.412 0.637 3.004 1.00 0.88 H new ATOM 0 HG22 ILE A 20 0.303 1.593 1.684 1.00 0.88 H new ATOM 0 HG23 ILE A 20 -0.019 2.353 3.261 1.00 0.88 H new ATOM 0 HD11 ILE A 20 -4.771 1.733 3.812 1.00 0.66 H new ATOM 0 HD12 ILE A 20 -4.492 2.585 2.274 1.00 0.66 H new ATOM 0 HD13 ILE A 20 -4.273 0.821 2.367 1.00 0.66 H new ATOM 292 N ASN A 21 0.287 4.001 0.206 1.00 0.71 N ATOM 293 CA ASN A 21 1.263 4.004 -0.885 1.00 0.74 C ATOM 294 C ASN A 21 2.651 3.678 -0.332 1.00 0.66 C ATOM 295 O ASN A 21 3.040 4.239 0.692 1.00 0.59 O ATOM 296 CB ASN A 21 1.293 5.379 -1.574 1.00 0.77 C ATOM 297 CG ASN A 21 0.363 5.460 -2.777 1.00 1.36 C ATOM 298 OD1 ASN A 21 -0.916 5.180 -2.585 1.00 1.82 O flip ATOM 299 ND2 ASN A 21 0.795 5.757 -3.883 1.00 3.01 N flip ATOM 0 H ASN A 21 0.609 4.504 1.033 1.00 0.71 H new ATOM 0 HA ASN A 21 0.974 3.250 -1.617 1.00 0.74 H new ATOM 0 HB2 ASN A 21 1.014 6.147 -0.853 1.00 0.77 H new ATOM 0 HB3 ASN A 21 2.312 5.597 -1.894 1.00 0.77 H new ATOM 0 HD21 ASN A 21 1.786 5.968 -4.004 1.00 3.01 H new ATOM 0 HD22 ASN A 21 0.164 5.793 -4.684 1.00 3.01 H new ATOM 306 N ALA A 22 3.416 2.812 -1.007 1.00 0.94 N ATOM 307 CA ALA A 22 4.806 2.547 -0.647 1.00 0.93 C ATOM 308 C ALA A 22 5.676 3.731 -1.046 1.00 1.16 C ATOM 309 O ALA A 22 6.111 3.818 -2.193 1.00 2.36 O ATOM 310 CB ALA A 22 5.324 1.298 -1.354 1.00 1.38 C ATOM 0 H ALA A 22 3.088 2.280 -1.813 1.00 0.94 H new ATOM 0 HA ALA A 22 4.852 2.391 0.431 1.00 0.93 H new ATOM 0 HB1 ALA A 22 6.361 1.122 -1.069 1.00 1.38 H new ATOM 0 HB2 ALA A 22 4.718 0.439 -1.066 1.00 1.38 H new ATOM 0 HB3 ALA A 22 5.263 1.439 -2.433 1.00 1.38 H new ATOM 316 N ALA A 23 5.929 4.629 -0.097 1.00 0.58 N ATOM 317 CA ALA A 23 6.706 5.840 -0.321 1.00 1.00 C ATOM 318 C ALA A 23 8.104 5.718 0.287 1.00 0.75 C ATOM 319 O ALA A 23 9.028 6.428 -0.105 1.00 0.80 O ATOM 320 CB ALA A 23 5.939 7.059 0.193 1.00 1.78 C ATOM 0 H ALA A 23 5.594 4.532 0.862 1.00 0.58 H new ATOM 0 HA ALA A 23 6.852 5.978 -1.392 1.00 1.00 H new ATOM 0 HB1 ALA A 23 6.529 7.959 0.021 1.00 1.78 H new ATOM 0 HB2 ALA A 23 4.989 7.141 -0.336 1.00 1.78 H new ATOM 0 HB3 ALA A 23 5.751 6.947 1.261 1.00 1.78 H new ATOM 326 N ASN A 24 8.286 4.762 1.195 1.00 0.69 N ATOM 327 CA ASN A 24 9.589 4.309 1.650 1.00 0.69 C ATOM 328 C ASN A 24 10.187 5.340 2.596 1.00 0.79 C ATOM 329 O ASN A 24 9.581 6.365 2.890 1.00 0.90 O ATOM 330 CB ASN A 24 10.498 3.962 0.462 1.00 0.72 C ATOM 331 CG ASN A 24 9.741 3.126 -0.571 1.00 1.09 C ATOM 332 OD1 ASN A 24 8.898 2.308 -0.218 1.00 1.41 O ATOM 333 ND2 ASN A 24 9.966 3.372 -1.855 1.00 1.64 N ATOM 0 H ASN A 24 7.511 4.272 1.642 1.00 0.69 H new ATOM 0 HA ASN A 24 9.482 3.383 2.214 1.00 0.69 H new ATOM 0 HB2 ASN A 24 10.864 4.878 -0.002 1.00 0.72 H new ATOM 0 HB3 ASN A 24 11.371 3.412 0.814 1.00 0.72 H new ATOM 0 HD21 ASN A 24 9.433 2.877 -2.570 1.00 1.64 H new ATOM 0 HD22 ASN A 24 10.672 4.056 -2.127 1.00 1.64 H new ATOM 340 N SER A 25 11.413 5.136 3.059 1.00 0.86 N ATOM 341 CA SER A 25 12.068 6.126 3.906 1.00 1.09 C ATOM 342 C SER A 25 12.260 7.480 3.203 1.00 1.23 C ATOM 343 O SER A 25 12.676 8.437 3.848 1.00 1.38 O ATOM 344 CB SER A 25 13.397 5.549 4.391 1.00 1.21 C ATOM 345 OG SER A 25 14.029 4.840 3.337 1.00 1.63 O ATOM 0 H SER A 25 11.970 4.304 2.866 1.00 0.86 H new ATOM 0 HA SER A 25 11.422 6.334 4.759 1.00 1.09 H new ATOM 0 HB2 SER A 25 14.046 6.352 4.741 1.00 1.21 H new ATOM 0 HB3 SER A 25 13.227 4.884 5.238 1.00 1.21 H new ATOM 0 HG SER A 25 14.881 4.474 3.654 1.00 1.63 H new ATOM 351 N LYS A 26 11.958 7.578 1.900 1.00 1.27 N ATOM 352 CA LYS A 26 12.076 8.776 1.079 1.00 1.47 C ATOM 353 C LYS A 26 10.757 9.554 1.012 1.00 1.47 C ATOM 354 O LYS A 26 10.725 10.650 0.463 1.00 1.63 O ATOM 355 CB LYS A 26 12.483 8.361 -0.345 1.00 1.46 C ATOM 356 CG LYS A 26 13.705 7.427 -0.342 1.00 1.58 C ATOM 357 CD LYS A 26 14.064 6.970 -1.757 1.00 1.81 C ATOM 358 CE LYS A 26 14.804 5.632 -1.659 1.00 1.83 C ATOM 359 NZ LYS A 26 15.178 5.107 -2.989 1.00 2.27 N ATOM 0 H LYS A 26 11.608 6.780 1.371 1.00 1.27 H new ATOM 0 HA LYS A 26 12.827 9.425 1.530 1.00 1.47 H new ATOM 0 HB2 LYS A 26 11.645 7.861 -0.831 1.00 1.46 H new ATOM 0 HB3 LYS A 26 12.708 9.251 -0.933 1.00 1.46 H new ATOM 0 HG2 LYS A 26 14.557 7.942 0.102 1.00 1.58 H new ATOM 0 HG3 LYS A 26 13.498 6.557 0.281 1.00 1.58 H new ATOM 0 HD2 LYS A 26 13.163 6.862 -2.361 1.00 1.81 H new ATOM 0 HD3 LYS A 26 14.690 7.715 -2.249 1.00 1.81 H new ATOM 0 HE2 LYS A 26 15.702 5.758 -1.053 1.00 1.83 H new ATOM 0 HE3 LYS A 26 14.173 4.906 -1.147 1.00 1.83 H new ATOM 0 HZ1 LYS A 26 15.676 4.201 -2.877 1.00 2.27 H new ATOM 0 HZ2 LYS A 26 14.320 4.962 -3.559 1.00 2.27 H new ATOM 0 HZ3 LYS A 26 15.801 5.788 -3.468 1.00 2.27 H new ATOM 373 N GLY A 27 9.653 8.970 1.478 1.00 1.33 N ATOM 374 CA GLY A 27 8.347 9.602 1.439 1.00 1.41 C ATOM 375 C GLY A 27 7.817 9.778 0.015 1.00 1.35 C ATOM 376 O GLY A 27 6.917 10.592 -0.190 1.00 1.49 O ATOM 0 H GLY A 27 9.646 8.039 1.895 1.00 1.33 H new ATOM 0 HA2 GLY A 27 7.641 9.002 2.013 1.00 1.41 H new ATOM 0 HA3 GLY A 27 8.405 10.577 1.923 1.00 1.41 H new ATOM 380 N GLN A 28 8.335 9.034 -0.970 1.00 1.21 N ATOM 381 CA GLN A 28 7.976 9.227 -2.367 1.00 1.22 C ATOM 382 C GLN A 28 7.565 7.894 -2.997 1.00 1.11 C ATOM 383 O GLN A 28 8.376 6.971 -3.036 1.00 1.14 O ATOM 384 CB GLN A 28 9.165 9.841 -3.117 1.00 1.39 C ATOM 385 CG GLN A 28 8.764 10.062 -4.578 1.00 1.27 C ATOM 386 CD GLN A 28 9.787 10.869 -5.367 1.00 1.64 C ATOM 387 OE1 GLN A 28 10.988 10.659 -5.254 1.00 1.75 O ATOM 388 NE2 GLN A 28 9.324 11.796 -6.197 1.00 2.84 N ATOM 0 H GLN A 28 9.011 8.286 -0.815 1.00 1.21 H new ATOM 0 HA GLN A 28 7.127 9.907 -2.434 1.00 1.22 H new ATOM 0 HB2 GLN A 28 9.454 10.786 -2.658 1.00 1.39 H new ATOM 0 HB3 GLN A 28 10.030 9.181 -3.059 1.00 1.39 H new ATOM 0 HG2 GLN A 28 8.625 9.094 -5.060 1.00 1.27 H new ATOM 0 HG3 GLN A 28 7.803 10.575 -4.610 1.00 1.27 H new ATOM 0 HE21 GLN A 28 8.319 11.954 -6.275 1.00 2.84 H new ATOM 0 HE22 GLN A 28 9.973 12.350 -6.756 1.00 2.84 H new ATOM 397 N PRO A 29 6.328 7.769 -3.507 1.00 1.07 N ATOM 398 CA PRO A 29 5.856 6.525 -4.084 1.00 1.01 C ATOM 399 C PRO A 29 6.616 6.171 -5.361 1.00 1.13 C ATOM 400 O PRO A 29 6.373 6.730 -6.432 1.00 1.55 O ATOM 401 CB PRO A 29 4.348 6.676 -4.282 1.00 0.98 C ATOM 402 CG PRO A 29 4.107 8.183 -4.274 1.00 1.12 C ATOM 403 CD PRO A 29 5.264 8.756 -3.455 1.00 1.13 C ATOM 0 HA PRO A 29 6.047 5.680 -3.422 1.00 1.01 H new ATOM 0 HB2 PRO A 29 4.025 6.228 -5.222 1.00 0.98 H new ATOM 0 HB3 PRO A 29 3.792 6.182 -3.485 1.00 0.98 H new ATOM 0 HG2 PRO A 29 4.099 8.588 -5.286 1.00 1.12 H new ATOM 0 HG3 PRO A 29 3.144 8.428 -3.825 1.00 1.12 H new ATOM 0 HD2 PRO A 29 5.597 9.709 -3.866 1.00 1.13 H new ATOM 0 HD3 PRO A 29 4.957 8.943 -2.426 1.00 1.13 H new ATOM 411 N GLY A 30 7.536 5.213 -5.233 1.00 1.12 N ATOM 412 CA GLY A 30 8.357 4.744 -6.331 1.00 1.28 C ATOM 413 C GLY A 30 7.510 3.917 -7.287 1.00 1.29 C ATOM 414 O GLY A 30 7.245 2.749 -7.021 1.00 2.29 O ATOM 0 H GLY A 30 7.728 4.741 -4.350 1.00 1.12 H new ATOM 0 HA2 GLY A 30 8.795 5.592 -6.858 1.00 1.28 H new ATOM 0 HA3 GLY A 30 9.183 4.144 -5.950 1.00 1.28 H new ATOM 418 N GLY A 31 7.082 4.520 -8.395 1.00 1.39 N ATOM 419 CA GLY A 31 6.299 3.816 -9.396 1.00 2.11 C ATOM 420 C GLY A 31 5.961 4.724 -10.569 1.00 1.45 C ATOM 421 O GLY A 31 6.211 4.377 -11.717 1.00 2.44 O ATOM 0 H GLY A 31 7.268 5.498 -8.618 1.00 1.39 H new ATOM 0 HA2 GLY A 31 6.855 2.949 -9.752 1.00 2.11 H new ATOM 0 HA3 GLY A 31 5.380 3.442 -8.945 1.00 2.11 H new ATOM 425 N GLY A 32 5.371 5.887 -10.284 1.00 1.12 N ATOM 426 CA GLY A 32 4.931 6.812 -11.323 1.00 1.26 C ATOM 427 C GLY A 32 3.647 7.518 -10.911 1.00 1.16 C ATOM 428 O GLY A 32 3.427 8.674 -11.262 1.00 1.16 O ATOM 0 H GLY A 32 5.187 6.209 -9.334 1.00 1.12 H new ATOM 0 HA2 GLY A 32 5.711 7.549 -11.514 1.00 1.26 H new ATOM 0 HA3 GLY A 32 4.770 6.269 -12.255 1.00 1.26 H new ATOM 432 N VAL A 33 2.812 6.844 -10.116 1.00 1.20 N ATOM 433 CA VAL A 33 1.575 7.406 -9.586 1.00 1.16 C ATOM 434 C VAL A 33 1.811 8.687 -8.785 1.00 1.07 C ATOM 435 O VAL A 33 0.894 9.493 -8.662 1.00 1.04 O ATOM 436 CB VAL A 33 0.810 6.344 -8.779 1.00 1.26 C ATOM 437 CG1 VAL A 33 0.496 5.119 -9.646 1.00 2.01 C ATOM 438 CG2 VAL A 33 1.567 5.901 -7.521 1.00 1.65 C ATOM 0 H VAL A 33 2.981 5.882 -9.821 1.00 1.20 H new ATOM 0 HA VAL A 33 0.952 7.700 -10.431 1.00 1.16 H new ATOM 0 HB VAL A 33 -0.120 6.814 -8.460 1.00 1.26 H new ATOM 0 HG11 VAL A 33 -0.045 4.382 -9.052 1.00 2.01 H new ATOM 0 HG12 VAL A 33 -0.117 5.422 -10.495 1.00 2.01 H new ATOM 0 HG13 VAL A 33 1.426 4.681 -10.007 1.00 2.01 H new ATOM 0 HG21 VAL A 33 0.982 5.151 -6.989 1.00 1.65 H new ATOM 0 HG22 VAL A 33 2.529 5.475 -7.806 1.00 1.65 H new ATOM 0 HG23 VAL A 33 1.729 6.762 -6.872 1.00 1.65 H new ATOM 448 N CYS A 34 3.038 8.923 -8.301 1.00 1.08 N ATOM 449 CA CYS A 34 3.438 10.179 -7.685 1.00 1.07 C ATOM 450 C CYS A 34 3.031 11.392 -8.528 1.00 1.05 C ATOM 451 O CYS A 34 2.770 12.447 -7.965 1.00 1.02 O ATOM 452 CB CYS A 34 4.959 10.175 -7.460 1.00 1.20 C ATOM 453 SG CYS A 34 5.426 11.481 -6.287 1.00 1.94 S ATOM 0 H CYS A 34 3.786 8.231 -8.331 1.00 1.08 H new ATOM 0 HA CYS A 34 2.920 10.265 -6.730 1.00 1.07 H new ATOM 0 HB2 CYS A 34 5.274 9.204 -7.078 1.00 1.20 H new ATOM 0 HB3 CYS A 34 5.474 10.327 -8.408 1.00 1.20 H new ATOM 0 HG CYS A 34 4.600 12.479 -6.397 1.00 1.94 H new ATOM 459 N GLY A 35 3.004 11.279 -9.860 1.00 1.15 N ATOM 460 CA GLY A 35 2.695 12.393 -10.745 1.00 1.20 C ATOM 461 C GLY A 35 1.215 12.765 -10.696 1.00 1.15 C ATOM 462 O GLY A 35 0.864 13.915 -10.440 1.00 1.19 O ATOM 0 H GLY A 35 3.198 10.406 -10.351 1.00 1.15 H new ATOM 0 HA2 GLY A 35 3.296 13.258 -10.464 1.00 1.20 H new ATOM 0 HA3 GLY A 35 2.970 12.132 -11.767 1.00 1.20 H new ATOM 466 N ALA A 36 0.324 11.801 -10.944 1.00 1.18 N ATOM 467 CA ALA A 36 -1.113 12.058 -10.892 1.00 1.17 C ATOM 468 C ALA A 36 -1.491 12.506 -9.494 1.00 0.98 C ATOM 469 O ALA A 36 -2.242 13.465 -9.314 1.00 0.96 O ATOM 470 CB ALA A 36 -1.892 10.792 -11.261 1.00 1.28 C ATOM 0 H ALA A 36 0.573 10.841 -11.181 1.00 1.18 H new ATOM 0 HA ALA A 36 -1.363 12.841 -11.607 1.00 1.17 H new ATOM 0 HB1 ALA A 36 -2.962 10.998 -11.218 1.00 1.28 H new ATOM 0 HB2 ALA A 36 -1.622 10.480 -12.270 1.00 1.28 H new ATOM 0 HB3 ALA A 36 -1.647 9.996 -10.558 1.00 1.28 H new ATOM 476 N LEU A 37 -0.953 11.804 -8.502 1.00 0.88 N ATOM 477 CA LEU A 37 -1.230 12.120 -7.124 1.00 0.74 C ATOM 478 C LEU A 37 -0.818 13.535 -6.805 1.00 0.76 C ATOM 479 O LEU A 37 -1.639 14.262 -6.291 1.00 0.83 O ATOM 480 CB LEU A 37 -0.553 11.116 -6.196 1.00 0.75 C ATOM 481 CG LEU A 37 -0.885 11.386 -4.721 1.00 0.66 C ATOM 482 CD1 LEU A 37 -2.353 11.097 -4.405 1.00 0.76 C ATOM 483 CD2 LEU A 37 -0.029 10.421 -3.896 1.00 0.79 C ATOM 0 H LEU A 37 -0.323 11.013 -8.637 1.00 0.88 H new ATOM 0 HA LEU A 37 -2.306 12.048 -6.962 1.00 0.74 H new ATOM 0 HB2 LEU A 37 -0.869 10.107 -6.460 1.00 0.75 H new ATOM 0 HB3 LEU A 37 0.527 11.160 -6.339 1.00 0.75 H new ATOM 0 HG LEU A 37 -0.690 12.434 -4.495 1.00 0.66 H new ATOM 0 HD11 LEU A 37 -2.545 11.301 -3.352 1.00 0.76 H new ATOM 0 HD12 LEU A 37 -2.990 11.733 -5.020 1.00 0.76 H new ATOM 0 HD13 LEU A 37 -2.572 10.051 -4.618 1.00 0.76 H new ATOM 0 HD21 LEU A 37 -0.229 10.573 -2.835 1.00 0.79 H new ATOM 0 HD22 LEU A 37 -0.274 9.394 -4.168 1.00 0.79 H new ATOM 0 HD23 LEU A 37 1.026 10.608 -4.097 1.00 0.79 H new ATOM 495 N TYR A 38 0.398 13.952 -7.130 1.00 0.78 N ATOM 496 CA TYR A 38 0.847 15.330 -6.972 1.00 0.87 C ATOM 497 C TYR A 38 -0.130 16.293 -7.650 1.00 1.01 C ATOM 498 O TYR A 38 -0.478 17.325 -7.081 1.00 1.17 O ATOM 499 CB TYR A 38 2.259 15.402 -7.564 1.00 0.94 C ATOM 500 CG TYR A 38 2.974 16.730 -7.739 1.00 1.18 C ATOM 501 CD1 TYR A 38 4.137 16.745 -8.533 1.00 2.15 C ATOM 502 CD2 TYR A 38 2.552 17.919 -7.115 1.00 2.41 C ATOM 503 CE1 TYR A 38 4.883 17.925 -8.698 1.00 2.47 C ATOM 504 CE2 TYR A 38 3.280 19.109 -7.287 1.00 2.69 C ATOM 505 CZ TYR A 38 4.456 19.115 -8.067 1.00 2.07 C ATOM 506 OH TYR A 38 5.181 20.262 -8.183 1.00 2.57 O ATOM 0 H TYR A 38 1.111 13.334 -7.517 1.00 0.78 H new ATOM 0 HA TYR A 38 0.875 15.630 -5.925 1.00 0.87 H new ATOM 0 HB2 TYR A 38 2.898 14.777 -6.940 1.00 0.94 H new ATOM 0 HB3 TYR A 38 2.216 14.932 -8.547 1.00 0.94 H new ATOM 0 HD1 TYR A 38 4.460 15.838 -9.022 1.00 2.15 H new ATOM 0 HD2 TYR A 38 1.664 17.917 -6.501 1.00 2.41 H new ATOM 0 HE1 TYR A 38 5.777 17.922 -9.304 1.00 2.47 H new ATOM 0 HE2 TYR A 38 2.938 20.021 -6.821 1.00 2.69 H new ATOM 0 HH TYR A 38 4.738 20.981 -7.685 1.00 2.57 H new ATOM 516 N LYS A 39 -0.604 15.971 -8.858 1.00 1.06 N ATOM 517 CA LYS A 39 -1.380 16.909 -9.652 1.00 1.27 C ATOM 518 C LYS A 39 -2.675 17.241 -8.921 1.00 1.36 C ATOM 519 O LYS A 39 -3.161 18.366 -8.986 1.00 1.65 O ATOM 520 CB LYS A 39 -1.633 16.293 -11.035 1.00 1.43 C ATOM 521 CG LYS A 39 -2.400 17.246 -11.951 1.00 1.77 C ATOM 522 CD LYS A 39 -2.785 16.548 -13.260 1.00 2.14 C ATOM 523 CE LYS A 39 -3.793 17.402 -14.038 1.00 2.88 C ATOM 524 NZ LYS A 39 -3.181 18.622 -14.609 1.00 3.81 N ATOM 0 H LYS A 39 -0.460 15.064 -9.302 1.00 1.06 H new ATOM 0 HA LYS A 39 -0.838 17.844 -9.793 1.00 1.27 H new ATOM 0 HB2 LYS A 39 -0.680 16.034 -11.497 1.00 1.43 H new ATOM 0 HB3 LYS A 39 -2.196 15.366 -10.922 1.00 1.43 H new ATOM 0 HG2 LYS A 39 -3.298 17.601 -11.445 1.00 1.77 H new ATOM 0 HG3 LYS A 39 -1.788 18.122 -12.167 1.00 1.77 H new ATOM 0 HD2 LYS A 39 -1.895 16.380 -13.866 1.00 2.14 H new ATOM 0 HD3 LYS A 39 -3.215 15.569 -13.046 1.00 2.14 H new ATOM 0 HE2 LYS A 39 -4.225 16.806 -14.842 1.00 2.88 H new ATOM 0 HE3 LYS A 39 -4.611 17.686 -13.376 1.00 2.88 H new ATOM 0 HZ1 LYS A 39 -3.903 19.164 -15.125 1.00 3.81 H new ATOM 0 HZ2 LYS A 39 -2.791 19.206 -13.842 1.00 3.81 H new ATOM 0 HZ3 LYS A 39 -2.417 18.354 -15.262 1.00 3.81 H new ATOM 538 N LYS A 40 -3.264 16.237 -8.274 1.00 1.16 N ATOM 539 CA LYS A 40 -4.566 16.371 -7.627 1.00 1.19 C ATOM 540 C LYS A 40 -4.474 16.561 -6.110 1.00 1.15 C ATOM 541 O LYS A 40 -5.406 17.056 -5.484 1.00 1.38 O ATOM 542 CB LYS A 40 -5.349 15.118 -7.992 1.00 1.06 C ATOM 543 CG LYS A 40 -6.833 15.232 -7.611 1.00 1.18 C ATOM 544 CD LYS A 40 -7.751 14.979 -8.803 1.00 1.29 C ATOM 545 CE LYS A 40 -7.491 16.066 -9.848 1.00 1.65 C ATOM 546 NZ LYS A 40 -8.654 16.245 -10.745 1.00 2.08 N ATOM 0 H LYS A 40 -2.852 15.308 -8.184 1.00 1.16 H new ATOM 0 HA LYS A 40 -5.065 17.274 -7.978 1.00 1.19 H new ATOM 0 HB2 LYS A 40 -5.263 14.937 -9.063 1.00 1.06 H new ATOM 0 HB3 LYS A 40 -4.911 14.257 -7.487 1.00 1.06 H new ATOM 0 HG2 LYS A 40 -7.060 14.517 -6.820 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -7.028 16.226 -7.208 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -7.561 13.992 -9.226 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -8.795 14.996 -8.489 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -7.268 17.008 -9.347 1.00 1.65 H new ATOM 0 HE3 LYS A 40 -6.613 15.803 -10.437 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 -8.444 16.989 -11.441 1.00 2.08 H new ATOM 0 HZ2 LYS A 40 -8.851 15.352 -11.241 1.00 2.08 H new ATOM 0 HZ3 LYS A 40 -9.486 16.520 -10.184 1.00 2.08 H new ATOM 560 N PHE A 41 -3.360 16.146 -5.531 1.00 0.98 N ATOM 561 CA PHE A 41 -3.083 16.096 -4.099 1.00 1.11 C ATOM 562 C PHE A 41 -1.623 16.503 -3.865 1.00 0.87 C ATOM 563 O PHE A 41 -0.762 15.658 -3.613 1.00 0.83 O ATOM 564 CB PHE A 41 -3.304 14.689 -3.509 1.00 1.40 C ATOM 565 CG PHE A 41 -4.630 14.003 -3.764 1.00 0.77 C ATOM 566 CD1 PHE A 41 -4.857 13.395 -5.007 1.00 0.71 C ATOM 567 CD2 PHE A 41 -5.593 13.878 -2.748 1.00 1.35 C ATOM 568 CE1 PHE A 41 -6.069 12.736 -5.265 1.00 0.64 C ATOM 569 CE2 PHE A 41 -6.807 13.217 -3.008 1.00 1.93 C ATOM 570 CZ PHE A 41 -7.053 12.655 -4.270 1.00 1.56 C ATOM 0 H PHE A 41 -2.570 15.812 -6.083 1.00 0.98 H new ATOM 0 HA PHE A 41 -3.772 16.779 -3.602 1.00 1.11 H new ATOM 0 HB2 PHE A 41 -2.516 14.041 -3.891 1.00 1.40 H new ATOM 0 HB3 PHE A 41 -3.166 14.756 -2.430 1.00 1.40 H new ATOM 0 HD1 PHE A 41 -4.094 13.434 -5.771 1.00 0.71 H new ATOM 0 HD2 PHE A 41 -5.401 14.289 -1.768 1.00 1.35 H new ATOM 0 HE1 PHE A 41 -6.244 12.290 -6.233 1.00 0.64 H new ATOM 0 HE2 PHE A 41 -7.554 13.142 -2.232 1.00 1.93 H new ATOM 0 HZ PHE A 41 -7.993 12.164 -4.473 1.00 1.56 H new ATOM 580 N PRO A 42 -1.307 17.799 -3.905 1.00 1.11 N ATOM 581 CA PRO A 42 0.059 18.248 -3.711 1.00 1.08 C ATOM 582 C PRO A 42 0.567 17.979 -2.291 1.00 0.91 C ATOM 583 O PRO A 42 1.770 17.950 -2.064 1.00 0.94 O ATOM 584 CB PRO A 42 0.070 19.730 -4.092 1.00 1.64 C ATOM 585 CG PRO A 42 -1.391 20.169 -3.990 1.00 1.89 C ATOM 586 CD PRO A 42 -2.203 18.895 -4.214 1.00 1.61 C ATOM 0 HA PRO A 42 0.754 17.690 -4.339 1.00 1.08 H new ATOM 0 HB2 PRO A 42 0.705 20.307 -3.419 1.00 1.64 H new ATOM 0 HB3 PRO A 42 0.458 19.877 -5.100 1.00 1.64 H new ATOM 0 HG2 PRO A 42 -1.604 20.607 -3.015 1.00 1.89 H new ATOM 0 HG3 PRO A 42 -1.629 20.925 -4.738 1.00 1.89 H new ATOM 0 HD2 PRO A 42 -3.083 18.874 -3.572 1.00 1.61 H new ATOM 0 HD3 PRO A 42 -2.558 18.833 -5.243 1.00 1.61 H new ATOM 594 N GLU A 43 -0.307 17.732 -1.318 1.00 1.12 N ATOM 595 CA GLU A 43 0.117 17.467 0.044 1.00 1.47 C ATOM 596 C GLU A 43 0.351 15.972 0.262 1.00 1.37 C ATOM 597 O GLU A 43 0.798 15.561 1.330 1.00 1.78 O ATOM 598 CB GLU A 43 -0.944 18.013 0.997 1.00 1.93 C ATOM 599 CG GLU A 43 -0.947 19.544 1.060 1.00 2.30 C ATOM 600 CD GLU A 43 -1.502 20.157 -0.223 1.00 2.11 C ATOM 601 OE1 GLU A 43 -0.921 21.163 -0.681 1.00 2.95 O ATOM 602 OE2 GLU A 43 -2.492 19.583 -0.742 1.00 2.74 O ATOM 0 H GLU A 43 -1.318 17.711 -1.454 1.00 1.12 H new ATOM 0 HA GLU A 43 1.066 17.965 0.240 1.00 1.47 H new ATOM 0 HB2 GLU A 43 -1.927 17.664 0.679 1.00 1.93 H new ATOM 0 HB3 GLU A 43 -0.771 17.612 1.996 1.00 1.93 H new ATOM 0 HG2 GLU A 43 -1.545 19.873 1.910 1.00 2.30 H new ATOM 0 HG3 GLU A 43 0.068 19.904 1.227 1.00 2.30 H new ATOM 609 N SER A 44 0.048 15.132 -0.730 1.00 1.04 N ATOM 610 CA SER A 44 0.314 13.711 -0.626 1.00 1.26 C ATOM 611 C SER A 44 1.769 13.383 -0.951 1.00 1.30 C ATOM 612 O SER A 44 2.305 12.413 -0.419 1.00 1.36 O ATOM 613 CB SER A 44 -0.609 12.946 -1.558 1.00 1.44 C ATOM 614 OG SER A 44 -1.945 13.090 -1.136 1.00 1.91 O ATOM 0 H SER A 44 -0.381 15.419 -1.610 1.00 1.04 H new ATOM 0 HA SER A 44 0.128 13.411 0.405 1.00 1.26 H new ATOM 0 HB2 SER A 44 -0.499 13.316 -2.577 1.00 1.44 H new ATOM 0 HB3 SER A 44 -0.334 11.891 -1.571 1.00 1.44 H new ATOM 0 HG SER A 44 -1.965 13.513 -0.252 1.00 1.91 H new ATOM 620 N PHE A 45 2.420 14.153 -1.827 1.00 1.54 N ATOM 621 CA PHE A 45 3.800 13.870 -2.206 1.00 1.77 C ATOM 622 C PHE A 45 4.728 14.721 -1.337 1.00 1.54 C ATOM 623 O PHE A 45 5.490 15.559 -1.800 1.00 2.04 O ATOM 624 CB PHE A 45 4.006 13.997 -3.729 1.00 2.74 C ATOM 625 CG PHE A 45 4.311 15.385 -4.265 1.00 2.38 C ATOM 626 CD1 PHE A 45 3.402 16.435 -4.066 1.00 2.46 C ATOM 627 CD2 PHE A 45 5.574 15.659 -4.825 1.00 3.51 C ATOM 628 CE1 PHE A 45 3.788 17.760 -4.329 1.00 3.91 C ATOM 629 CE2 PHE A 45 5.948 16.981 -5.121 1.00 4.12 C ATOM 630 CZ PHE A 45 5.063 18.036 -4.847 1.00 4.43 C ATOM 0 H PHE A 45 2.014 14.971 -2.282 1.00 1.54 H new ATOM 0 HA PHE A 45 4.057 12.830 -2.006 1.00 1.77 H new ATOM 0 HB2 PHE A 45 4.822 13.334 -4.018 1.00 2.74 H new ATOM 0 HB3 PHE A 45 3.107 13.631 -4.225 1.00 2.74 H new ATOM 0 HD1 PHE A 45 2.404 16.224 -3.710 1.00 2.46 H new ATOM 0 HD2 PHE A 45 6.259 14.849 -5.028 1.00 3.51 H new ATOM 0 HE1 PHE A 45 3.101 18.570 -4.132 1.00 3.91 H new ATOM 0 HE2 PHE A 45 6.914 17.185 -5.558 1.00 4.12 H new ATOM 0 HZ PHE A 45 5.362 19.057 -5.034 1.00 4.43 H new ATOM 640 N ASP A 46 4.664 14.507 -0.029 1.00 1.16 N ATOM 641 CA ASP A 46 5.404 15.340 0.910 1.00 1.68 C ATOM 642 C ASP A 46 6.901 14.999 0.911 1.00 1.66 C ATOM 643 O ASP A 46 7.719 15.788 1.371 1.00 2.49 O ATOM 644 CB ASP A 46 4.767 15.166 2.284 1.00 2.09 C ATOM 645 CG ASP A 46 5.310 16.156 3.311 1.00 3.10 C ATOM 646 OD1 ASP A 46 5.369 17.361 2.989 1.00 4.41 O ATOM 647 OD2 ASP A 46 5.587 15.692 4.439 1.00 3.21 O ATOM 0 H ASP A 46 4.110 13.768 0.404 1.00 1.16 H new ATOM 0 HA ASP A 46 5.347 16.387 0.613 1.00 1.68 H new ATOM 0 HB2 ASP A 46 3.688 15.292 2.199 1.00 2.09 H new ATOM 0 HB3 ASP A 46 4.943 14.150 2.636 1.00 2.09 H new ATOM 652 N LEU A 47 7.269 13.821 0.383 1.00 1.04 N ATOM 653 CA LEU A 47 8.639 13.308 0.248 1.00 1.03 C ATOM 654 C LEU A 47 9.463 13.536 1.517 1.00 0.90 C ATOM 655 O LEU A 47 10.665 13.799 1.488 1.00 1.05 O ATOM 656 CB LEU A 47 9.339 13.731 -1.063 1.00 1.27 C ATOM 657 CG LEU A 47 8.430 14.290 -2.169 1.00 1.40 C ATOM 658 CD1 LEU A 47 8.440 15.819 -2.154 1.00 1.86 C ATOM 659 CD2 LEU A 47 8.915 13.824 -3.541 1.00 2.04 C ATOM 0 H LEU A 47 6.578 13.165 0.019 1.00 1.04 H new ATOM 0 HA LEU A 47 8.556 12.226 0.146 1.00 1.03 H new ATOM 0 HB2 LEU A 47 10.089 14.485 -0.823 1.00 1.27 H new ATOM 0 HB3 LEU A 47 9.871 12.867 -1.461 1.00 1.27 H new ATOM 0 HG LEU A 47 7.420 13.925 -1.983 1.00 1.40 H new ATOM 0 HD11 LEU A 47 7.790 16.195 -2.944 1.00 1.86 H new ATOM 0 HD12 LEU A 47 8.081 16.176 -1.189 1.00 1.86 H new ATOM 0 HD13 LEU A 47 9.456 16.178 -2.318 1.00 1.86 H new ATOM 0 HD21 LEU A 47 8.261 14.228 -4.314 1.00 2.04 H new ATOM 0 HD22 LEU A 47 9.933 14.176 -3.706 1.00 2.04 H new ATOM 0 HD23 LEU A 47 8.897 12.735 -3.583 1.00 2.04 H new ATOM 671 N GLN A 48 8.789 13.386 2.656 1.00 0.81 N ATOM 672 CA GLN A 48 9.397 13.522 3.967 1.00 0.88 C ATOM 673 C GLN A 48 10.196 12.252 4.269 1.00 0.84 C ATOM 674 O GLN A 48 9.815 11.164 3.836 1.00 0.78 O ATOM 675 CB GLN A 48 8.326 13.772 5.051 1.00 1.02 C ATOM 676 CG GLN A 48 7.073 12.891 4.905 1.00 2.80 C ATOM 677 CD GLN A 48 6.208 12.820 6.174 1.00 3.52 C ATOM 678 OE1 GLN A 48 6.460 12.056 7.102 1.00 3.81 O ATOM 679 NE2 GLN A 48 5.126 13.578 6.230 1.00 4.39 N ATOM 0 H GLN A 48 7.794 13.164 2.689 1.00 0.81 H new ATOM 0 HA GLN A 48 10.065 14.383 3.971 1.00 0.88 H new ATOM 0 HB2 GLN A 48 8.768 13.598 6.032 1.00 1.02 H new ATOM 0 HB3 GLN A 48 8.027 14.820 5.018 1.00 1.02 H new ATOM 0 HG2 GLN A 48 6.466 13.274 4.085 1.00 2.80 H new ATOM 0 HG3 GLN A 48 7.381 11.882 4.630 1.00 2.80 H new ATOM 0 HE21 GLN A 48 4.909 14.215 5.464 1.00 4.39 H new ATOM 0 HE22 GLN A 48 4.508 13.526 7.040 1.00 4.39 H new ATOM 688 N PRO A 49 11.293 12.361 5.028 1.00 0.94 N ATOM 689 CA PRO A 49 12.037 11.207 5.494 1.00 0.97 C ATOM 690 C PRO A 49 11.274 10.523 6.633 1.00 0.94 C ATOM 691 O PRO A 49 10.782 11.198 7.537 1.00 1.06 O ATOM 692 CB PRO A 49 13.380 11.770 5.961 1.00 1.10 C ATOM 693 CG PRO A 49 13.034 13.188 6.417 1.00 1.12 C ATOM 694 CD PRO A 49 11.909 13.600 5.466 1.00 1.05 C ATOM 0 HA PRO A 49 12.178 10.448 4.725 1.00 0.97 H new ATOM 0 HB2 PRO A 49 13.802 11.179 6.774 1.00 1.10 H new ATOM 0 HB3 PRO A 49 14.115 11.775 5.156 1.00 1.10 H new ATOM 0 HG2 PRO A 49 12.709 13.208 7.457 1.00 1.12 H new ATOM 0 HG3 PRO A 49 13.892 13.856 6.339 1.00 1.12 H new ATOM 0 HD2 PRO A 49 11.185 14.241 5.970 1.00 1.05 H new ATOM 0 HD3 PRO A 49 12.299 14.164 4.619 1.00 1.05 H new ATOM 702 N ILE A 50 11.186 9.190 6.617 1.00 0.88 N ATOM 703 CA ILE A 50 10.589 8.392 7.679 1.00 0.95 C ATOM 704 C ILE A 50 11.593 7.288 8.030 1.00 0.88 C ATOM 705 O ILE A 50 12.546 7.052 7.286 1.00 0.85 O ATOM 706 CB ILE A 50 9.209 7.853 7.225 1.00 1.08 C ATOM 707 CG1 ILE A 50 8.138 8.952 7.165 1.00 1.48 C ATOM 708 CG2 ILE A 50 8.611 6.796 8.150 1.00 1.03 C ATOM 709 CD1 ILE A 50 8.174 9.736 5.866 1.00 1.85 C ATOM 0 H ILE A 50 11.538 8.627 5.843 1.00 0.88 H new ATOM 0 HA ILE A 50 10.392 8.980 8.576 1.00 0.95 H new ATOM 0 HB ILE A 50 9.435 7.430 6.246 1.00 1.08 H new ATOM 0 HG12 ILE A 50 7.153 8.500 7.285 1.00 1.48 H new ATOM 0 HG13 ILE A 50 8.279 9.636 8.002 1.00 1.48 H new ATOM 0 HG21 ILE A 50 7.646 6.474 7.758 1.00 1.03 H new ATOM 0 HG22 ILE A 50 9.284 5.940 8.207 1.00 1.03 H new ATOM 0 HG23 ILE A 50 8.476 7.218 9.146 1.00 1.03 H new ATOM 0 HD11 ILE A 50 7.395 10.499 5.880 1.00 1.85 H new ATOM 0 HD12 ILE A 50 9.148 10.213 5.756 1.00 1.85 H new ATOM 0 HD13 ILE A 50 8.005 9.060 5.028 1.00 1.85 H new ATOM 721 N GLU A 51 11.367 6.631 9.171 1.00 0.87 N ATOM 722 CA GLU A 51 12.067 5.437 9.627 1.00 0.76 C ATOM 723 C GLU A 51 11.900 4.290 8.612 1.00 0.70 C ATOM 724 O GLU A 51 11.372 4.476 7.517 1.00 1.02 O ATOM 725 CB GLU A 51 11.479 5.029 10.991 1.00 0.72 C ATOM 726 CG GLU A 51 12.513 4.377 11.917 1.00 1.06 C ATOM 727 CD GLU A 51 13.098 5.409 12.877 1.00 1.64 C ATOM 728 OE1 GLU A 51 12.760 5.333 14.079 1.00 2.30 O ATOM 729 OE2 GLU A 51 13.848 6.274 12.378 1.00 2.54 O ATOM 0 H GLU A 51 10.653 6.937 9.832 1.00 0.87 H new ATOM 0 HA GLU A 51 13.133 5.646 9.722 1.00 0.76 H new ATOM 0 HB2 GLU A 51 11.065 5.911 11.481 1.00 0.72 H new ATOM 0 HB3 GLU A 51 10.653 4.336 10.832 1.00 0.72 H new ATOM 0 HG2 GLU A 51 12.046 3.570 12.482 1.00 1.06 H new ATOM 0 HG3 GLU A 51 13.311 3.931 11.324 1.00 1.06 H new ATOM 736 N VAL A 52 12.288 3.068 8.982 1.00 0.53 N ATOM 737 CA VAL A 52 12.211 1.918 8.099 1.00 0.52 C ATOM 738 C VAL A 52 11.405 0.842 8.809 1.00 0.49 C ATOM 739 O VAL A 52 11.866 0.272 9.790 1.00 0.59 O ATOM 740 CB VAL A 52 13.623 1.449 7.699 1.00 0.59 C ATOM 741 CG1 VAL A 52 13.543 0.455 6.534 1.00 0.90 C ATOM 742 CG2 VAL A 52 14.507 2.625 7.263 1.00 0.96 C ATOM 0 H VAL A 52 12.664 2.855 9.906 1.00 0.53 H new ATOM 0 HA VAL A 52 11.708 2.170 7.165 1.00 0.52 H new ATOM 0 HB VAL A 52 14.063 0.976 8.577 1.00 0.59 H new ATOM 0 HG11 VAL A 52 14.548 0.132 6.262 1.00 0.90 H new ATOM 0 HG12 VAL A 52 12.952 -0.411 6.834 1.00 0.90 H new ATOM 0 HG13 VAL A 52 13.072 0.936 5.677 1.00 0.90 H new ATOM 0 HG21 VAL A 52 15.495 2.255 6.988 1.00 0.96 H new ATOM 0 HG22 VAL A 52 14.054 3.122 6.405 1.00 0.96 H new ATOM 0 HG23 VAL A 52 14.601 3.334 8.085 1.00 0.96 H new ATOM 752 N GLY A 53 10.176 0.621 8.338 1.00 0.49 N ATOM 753 CA GLY A 53 9.238 -0.331 8.915 1.00 0.59 C ATOM 754 C GLY A 53 7.945 0.388 9.274 1.00 0.67 C ATOM 755 O GLY A 53 6.851 -0.152 9.135 1.00 1.18 O ATOM 0 H GLY A 53 9.801 1.112 7.526 1.00 0.49 H new ATOM 0 HA2 GLY A 53 9.036 -1.134 8.206 1.00 0.59 H new ATOM 0 HA3 GLY A 53 9.670 -0.791 9.804 1.00 0.59 H new ATOM 759 N LYS A 54 8.060 1.635 9.733 1.00 0.35 N ATOM 760 CA LYS A 54 6.942 2.404 10.216 1.00 0.34 C ATOM 761 C LYS A 54 6.263 3.073 9.024 1.00 0.33 C ATOM 762 O LYS A 54 6.930 3.599 8.139 1.00 0.37 O ATOM 763 CB LYS A 54 7.490 3.420 11.229 1.00 0.44 C ATOM 764 CG LYS A 54 6.394 4.363 11.718 1.00 1.71 C ATOM 765 CD LYS A 54 6.106 4.276 13.216 1.00 1.97 C ATOM 766 CE LYS A 54 4.739 4.930 13.460 1.00 3.63 C ATOM 767 NZ LYS A 54 4.162 4.544 14.766 1.00 4.03 N ATOM 0 H LYS A 54 8.949 2.134 9.775 1.00 0.35 H new ATOM 0 HA LYS A 54 6.193 1.788 10.713 1.00 0.34 H new ATOM 0 HB2 LYS A 54 7.924 2.892 12.078 1.00 0.44 H new ATOM 0 HB3 LYS A 54 8.292 3.998 10.770 1.00 0.44 H new ATOM 0 HG2 LYS A 54 6.678 5.387 11.474 1.00 1.71 H new ATOM 0 HG3 LYS A 54 5.476 4.148 11.171 1.00 1.71 H new ATOM 0 HD2 LYS A 54 6.099 3.237 13.546 1.00 1.97 H new ATOM 0 HD3 LYS A 54 6.883 4.786 13.786 1.00 1.97 H new ATOM 0 HE2 LYS A 54 4.844 6.014 13.417 1.00 3.63 H new ATOM 0 HE3 LYS A 54 4.053 4.644 12.663 1.00 3.63 H new ATOM 0 HZ1 LYS A 54 3.240 5.008 14.889 1.00 4.03 H new ATOM 0 HZ2 LYS A 54 4.037 3.512 14.799 1.00 4.03 H new ATOM 0 HZ3 LYS A 54 4.803 4.840 15.530 1.00 4.03 H new ATOM 781 N ALA A 55 4.935 3.114 9.052 1.00 0.33 N ATOM 782 CA ALA A 55 4.110 3.899 8.151 1.00 0.34 C ATOM 783 C ALA A 55 3.754 5.229 8.826 1.00 0.36 C ATOM 784 O ALA A 55 3.616 5.296 10.050 1.00 0.40 O ATOM 785 CB ALA A 55 2.837 3.100 7.851 1.00 0.34 C ATOM 0 H ALA A 55 4.388 2.581 9.728 1.00 0.33 H new ATOM 0 HA ALA A 55 4.641 4.108 7.222 1.00 0.34 H new ATOM 0 HB1 ALA A 55 2.200 3.670 7.175 1.00 0.34 H new ATOM 0 HB2 ALA A 55 3.104 2.152 7.384 1.00 0.34 H new ATOM 0 HB3 ALA A 55 2.300 2.909 8.780 1.00 0.34 H new ATOM 791 N ARG A 56 3.591 6.297 8.039 1.00 0.39 N ATOM 792 CA ARG A 56 3.282 7.638 8.520 1.00 0.38 C ATOM 793 C ARG A 56 2.078 8.145 7.733 1.00 0.36 C ATOM 794 O ARG A 56 2.109 8.170 6.509 1.00 0.45 O ATOM 795 CB ARG A 56 4.531 8.507 8.309 1.00 0.61 C ATOM 796 CG ARG A 56 4.622 9.788 9.148 1.00 1.30 C ATOM 797 CD ARG A 56 3.621 10.887 8.773 1.00 2.83 C ATOM 798 NE ARG A 56 4.107 12.195 9.247 1.00 3.48 N ATOM 799 CZ ARG A 56 3.363 13.261 9.569 1.00 4.78 C ATOM 800 NH1 ARG A 56 3.947 14.358 10.051 1.00 5.32 N ATOM 801 NH2 ARG A 56 2.043 13.247 9.395 1.00 5.95 N ATOM 0 H ARG A 56 3.673 6.246 7.024 1.00 0.39 H new ATOM 0 HA ARG A 56 3.028 7.661 9.580 1.00 0.38 H new ATOM 0 HB2 ARG A 56 5.410 7.898 8.519 1.00 0.61 H new ATOM 0 HB3 ARG A 56 4.580 8.784 7.256 1.00 0.61 H new ATOM 0 HG2 ARG A 56 4.475 9.528 10.196 1.00 1.30 H new ATOM 0 HG3 ARG A 56 5.631 10.191 9.058 1.00 1.30 H new ATOM 0 HD2 ARG A 56 3.483 10.911 7.692 1.00 2.83 H new ATOM 0 HD3 ARG A 56 2.648 10.670 9.214 1.00 2.83 H new ATOM 0 HE ARG A 56 5.117 12.300 9.340 1.00 3.48 H new ATOM 0 HH11 ARG A 56 4.959 14.385 10.174 1.00 5.32 H new ATOM 0 HH12 ARG A 56 3.382 15.171 10.297 1.00 5.32 H new ATOM 0 HH21 ARG A 56 1.588 12.418 9.013 1.00 5.95 H new ATOM 0 HH22 ARG A 56 1.487 14.065 9.644 1.00 5.95 H new ATOM 815 N LEU A 57 1.001 8.542 8.407 1.00 0.36 N ATOM 816 CA LEU A 57 -0.178 9.052 7.723 1.00 0.50 C ATOM 817 C LEU A 57 0.158 10.409 7.103 1.00 0.63 C ATOM 818 O LEU A 57 0.732 11.269 7.768 1.00 0.78 O ATOM 819 CB LEU A 57 -1.386 9.090 8.677 1.00 0.60 C ATOM 820 CG LEU A 57 -1.408 10.232 9.705 1.00 0.99 C ATOM 821 CD1 LEU A 57 -2.234 11.414 9.181 1.00 1.96 C ATOM 822 CD2 LEU A 57 -2.065 9.740 10.996 1.00 1.50 C ATOM 0 H LEU A 57 0.923 8.519 9.424 1.00 0.36 H new ATOM 0 HA LEU A 57 -0.469 8.386 6.911 1.00 0.50 H new ATOM 0 HB2 LEU A 57 -2.294 9.153 8.077 1.00 0.60 H new ATOM 0 HB3 LEU A 57 -1.425 8.144 9.216 1.00 0.60 H new ATOM 0 HG LEU A 57 -0.381 10.549 9.885 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -2.238 12.213 9.923 1.00 1.96 H new ATOM 0 HD12 LEU A 57 -1.795 11.782 8.254 1.00 1.96 H new ATOM 0 HD13 LEU A 57 -3.257 11.088 8.994 1.00 1.96 H new ATOM 0 HD21 LEU A 57 -2.082 10.549 11.727 1.00 1.50 H new ATOM 0 HD22 LEU A 57 -3.085 9.420 10.786 1.00 1.50 H new ATOM 0 HD23 LEU A 57 -1.497 8.901 11.397 1.00 1.50 H new ATOM 834 N VAL A 58 -0.164 10.603 5.826 1.00 0.81 N ATOM 835 CA VAL A 58 0.121 11.826 5.098 1.00 1.05 C ATOM 836 C VAL A 58 -1.132 12.696 5.127 1.00 0.90 C ATOM 837 O VAL A 58 -2.176 12.333 4.583 1.00 0.85 O ATOM 838 CB VAL A 58 0.543 11.481 3.662 1.00 1.43 C ATOM 839 CG1 VAL A 58 0.843 12.752 2.872 1.00 2.47 C ATOM 840 CG2 VAL A 58 1.805 10.614 3.652 1.00 1.93 C ATOM 0 H VAL A 58 -0.639 9.898 5.262 1.00 0.81 H new ATOM 0 HA VAL A 58 0.943 12.376 5.556 1.00 1.05 H new ATOM 0 HB VAL A 58 -0.284 10.936 3.207 1.00 1.43 H new ATOM 0 HG11 VAL A 58 1.140 12.488 1.857 1.00 2.47 H new ATOM 0 HG12 VAL A 58 -0.049 13.378 2.838 1.00 2.47 H new ATOM 0 HG13 VAL A 58 1.652 13.299 3.356 1.00 2.47 H new ATOM 0 HG21 VAL A 58 2.081 10.385 2.623 1.00 1.93 H new ATOM 0 HG22 VAL A 58 2.620 11.153 4.135 1.00 1.93 H new ATOM 0 HG23 VAL A 58 1.613 9.686 4.191 1.00 1.93 H new ATOM 850 N LYS A 59 -1.053 13.857 5.778 1.00 0.99 N ATOM 851 CA LYS A 59 -2.193 14.757 5.855 1.00 0.99 C ATOM 852 C LYS A 59 -2.310 15.525 4.542 1.00 1.13 C ATOM 853 O LYS A 59 -1.828 16.646 4.422 1.00 1.48 O ATOM 854 CB LYS A 59 -2.080 15.675 7.083 1.00 1.36 C ATOM 855 CG LYS A 59 -3.115 15.229 8.118 1.00 2.12 C ATOM 856 CD LYS A 59 -3.036 16.074 9.389 1.00 2.49 C ATOM 857 CE LYS A 59 -4.046 15.520 10.396 1.00 4.23 C ATOM 858 NZ LYS A 59 -4.059 16.293 11.655 1.00 5.08 N ATOM 0 H LYS A 59 -0.215 14.190 6.255 1.00 0.99 H new ATOM 0 HA LYS A 59 -3.113 14.189 5.990 1.00 0.99 H new ATOM 0 HB2 LYS A 59 -1.076 15.623 7.504 1.00 1.36 H new ATOM 0 HB3 LYS A 59 -2.252 16.713 6.798 1.00 1.36 H new ATOM 0 HG2 LYS A 59 -4.115 15.305 7.691 1.00 2.12 H new ATOM 0 HG3 LYS A 59 -2.954 14.180 8.367 1.00 2.12 H new ATOM 0 HD2 LYS A 59 -2.029 16.042 9.804 1.00 2.49 H new ATOM 0 HD3 LYS A 59 -3.256 17.118 9.166 1.00 2.49 H new ATOM 0 HE2 LYS A 59 -5.042 15.532 9.954 1.00 4.23 H new ATOM 0 HE3 LYS A 59 -3.807 14.479 10.613 1.00 4.23 H new ATOM 0 HZ1 LYS A 59 -4.757 15.882 12.307 1.00 5.08 H new ATOM 0 HZ2 LYS A 59 -3.116 16.260 12.092 1.00 5.08 H new ATOM 0 HZ3 LYS A 59 -4.313 17.281 11.453 1.00 5.08 H new ATOM 872 N GLY A 60 -2.977 14.925 3.560 1.00 1.12 N ATOM 873 CA GLY A 60 -3.305 15.606 2.338 1.00 1.41 C ATOM 874 C GLY A 60 -4.478 16.527 2.627 1.00 1.14 C ATOM 875 O GLY A 60 -5.522 16.084 3.102 1.00 1.00 O ATOM 0 H GLY A 60 -3.298 13.958 3.600 1.00 1.12 H new ATOM 0 HA2 GLY A 60 -2.450 16.177 1.976 1.00 1.41 H new ATOM 0 HA3 GLY A 60 -3.563 14.890 1.558 1.00 1.41 H new ATOM 879 N ALA A 61 -4.315 17.812 2.328 1.00 1.17 N ATOM 880 CA ALA A 61 -5.390 18.790 2.441 1.00 1.07 C ATOM 881 C ALA A 61 -6.598 18.341 1.619 1.00 0.91 C ATOM 882 O ALA A 61 -7.739 18.440 2.061 1.00 0.89 O ATOM 883 CB ALA A 61 -4.894 20.168 1.993 1.00 1.29 C ATOM 0 H ALA A 61 -3.432 18.204 2.000 1.00 1.17 H new ATOM 0 HA ALA A 61 -5.701 18.865 3.483 1.00 1.07 H new ATOM 0 HB1 ALA A 61 -5.704 20.892 2.081 1.00 1.29 H new ATOM 0 HB2 ALA A 61 -4.060 20.477 2.624 1.00 1.29 H new ATOM 0 HB3 ALA A 61 -4.564 20.116 0.955 1.00 1.29 H new ATOM 889 N ALA A 62 -6.331 17.826 0.418 1.00 0.92 N ATOM 890 CA ALA A 62 -7.351 17.272 -0.457 1.00 0.92 C ATOM 891 C ALA A 62 -7.997 16.018 0.150 1.00 0.88 C ATOM 892 O ALA A 62 -9.216 15.871 0.089 1.00 0.91 O ATOM 893 CB ALA A 62 -6.725 16.990 -1.826 1.00 1.05 C ATOM 0 H ALA A 62 -5.390 17.784 0.027 1.00 0.92 H new ATOM 0 HA ALA A 62 -8.157 17.996 -0.578 1.00 0.92 H new ATOM 0 HB1 ALA A 62 -7.480 16.574 -2.493 1.00 1.05 H new ATOM 0 HB2 ALA A 62 -6.340 17.918 -2.248 1.00 1.05 H new ATOM 0 HB3 ALA A 62 -5.908 16.277 -1.713 1.00 1.05 H new ATOM 899 N LYS A 63 -7.212 15.086 0.705 1.00 0.85 N ATOM 900 CA LYS A 63 -7.753 13.923 1.405 1.00 0.83 C ATOM 901 C LYS A 63 -6.658 13.308 2.271 1.00 0.82 C ATOM 902 O LYS A 63 -5.475 13.484 1.990 1.00 0.87 O ATOM 903 CB LYS A 63 -8.269 12.888 0.389 1.00 0.92 C ATOM 904 CG LYS A 63 -9.347 11.954 0.954 1.00 1.75 C ATOM 905 CD LYS A 63 -10.699 12.674 1.007 1.00 2.34 C ATOM 906 CE LYS A 63 -11.747 11.747 1.629 1.00 3.23 C ATOM 907 NZ LYS A 63 -12.928 11.586 0.754 1.00 3.43 N ATOM 0 H LYS A 63 -6.193 15.119 0.680 1.00 0.85 H new ATOM 0 HA LYS A 63 -8.586 14.232 2.037 1.00 0.83 H new ATOM 0 HB2 LYS A 63 -8.673 13.412 -0.477 1.00 0.92 H new ATOM 0 HB3 LYS A 63 -7.430 12.288 0.036 1.00 0.92 H new ATOM 0 HG2 LYS A 63 -9.427 11.062 0.333 1.00 1.75 H new ATOM 0 HG3 LYS A 63 -9.064 11.623 1.953 1.00 1.75 H new ATOM 0 HD2 LYS A 63 -10.613 13.589 1.594 1.00 2.34 H new ATOM 0 HD3 LYS A 63 -11.007 12.967 0.003 1.00 2.34 H new ATOM 0 HE2 LYS A 63 -11.301 10.771 1.820 1.00 3.23 H new ATOM 0 HE3 LYS A 63 -12.061 12.148 2.593 1.00 3.23 H new ATOM 0 HZ1 LYS A 63 -13.676 11.080 1.270 1.00 3.43 H new ATOM 0 HZ2 LYS A 63 -13.278 12.522 0.468 1.00 3.43 H new ATOM 0 HZ3 LYS A 63 -12.662 11.043 -0.092 1.00 3.43 H new ATOM 921 N HIS A 64 -7.035 12.550 3.299 1.00 0.83 N ATOM 922 CA HIS A 64 -6.077 11.806 4.097 1.00 0.81 C ATOM 923 C HIS A 64 -5.517 10.652 3.262 1.00 0.77 C ATOM 924 O HIS A 64 -6.275 9.877 2.682 1.00 0.83 O ATOM 925 CB HIS A 64 -6.764 11.286 5.365 1.00 0.86 C ATOM 926 CG HIS A 64 -7.490 12.349 6.157 1.00 1.07 C ATOM 927 ND1 HIS A 64 -8.566 12.129 6.987 1.00 1.49 N ATOM 928 CD2 HIS A 64 -7.233 13.696 6.160 1.00 1.02 C ATOM 929 CE1 HIS A 64 -8.946 13.322 7.480 1.00 1.65 C ATOM 930 NE2 HIS A 64 -8.161 14.302 7.009 1.00 1.35 N ATOM 0 H HIS A 64 -8.004 12.438 3.596 1.00 0.83 H new ATOM 0 HA HIS A 64 -5.251 12.452 4.395 1.00 0.81 H new ATOM 0 HB2 HIS A 64 -7.474 10.508 5.087 1.00 0.86 H new ATOM 0 HB3 HIS A 64 -6.015 10.820 6.005 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -6.453 14.198 5.606 1.00 1.02 H new ATOM 0 HE1 HIS A 64 -9.770 13.470 8.162 1.00 1.65 H new ATOM 0 HE2 HIS A 64 -8.229 15.296 7.228 1.00 1.35 H new ATOM 938 N ILE A 65 -4.192 10.535 3.209 1.00 0.69 N ATOM 939 CA ILE A 65 -3.459 9.461 2.552 1.00 0.60 C ATOM 940 C ILE A 65 -2.606 8.825 3.652 1.00 0.54 C ATOM 941 O ILE A 65 -2.469 9.395 4.731 1.00 0.69 O ATOM 942 CB ILE A 65 -2.652 10.045 1.362 1.00 0.57 C ATOM 943 CG1 ILE A 65 -3.505 10.189 0.087 1.00 0.87 C ATOM 944 CG2 ILE A 65 -1.462 9.195 0.911 1.00 0.49 C ATOM 945 CD1 ILE A 65 -4.413 11.406 0.097 1.00 0.82 C ATOM 0 H ILE A 65 -3.574 11.220 3.644 1.00 0.69 H new ATOM 0 HA ILE A 65 -4.092 8.692 2.108 1.00 0.60 H new ATOM 0 HB ILE A 65 -2.315 10.999 1.767 1.00 0.57 H new ATOM 0 HG12 ILE A 65 -2.844 10.246 -0.778 1.00 0.87 H new ATOM 0 HG13 ILE A 65 -4.114 9.293 -0.036 1.00 0.87 H new ATOM 0 HG21 ILE A 65 -0.961 9.684 0.076 1.00 0.49 H new ATOM 0 HG22 ILE A 65 -0.761 9.082 1.738 1.00 0.49 H new ATOM 0 HG23 ILE A 65 -1.815 8.213 0.597 1.00 0.49 H new ATOM 0 HD11 ILE A 65 -4.983 11.442 -0.831 1.00 0.82 H new ATOM 0 HD12 ILE A 65 -5.099 11.341 0.941 1.00 0.82 H new ATOM 0 HD13 ILE A 65 -3.810 12.309 0.188 1.00 0.82 H new ATOM 957 N ILE A 66 -2.028 7.649 3.415 1.00 0.40 N ATOM 958 CA ILE A 66 -1.159 6.960 4.352 1.00 0.33 C ATOM 959 C ILE A 66 0.063 6.517 3.560 1.00 0.36 C ATOM 960 O ILE A 66 -0.048 6.118 2.399 1.00 0.42 O ATOM 961 CB ILE A 66 -1.847 5.745 5.014 1.00 0.35 C ATOM 962 CG1 ILE A 66 -3.306 5.978 5.456 1.00 0.42 C ATOM 963 CG2 ILE A 66 -1.024 5.241 6.211 1.00 0.39 C ATOM 964 CD1 ILE A 66 -3.451 6.907 6.659 1.00 0.42 C ATOM 0 H ILE A 66 -2.158 7.140 2.541 1.00 0.40 H new ATOM 0 HA ILE A 66 -0.892 7.629 5.170 1.00 0.33 H new ATOM 0 HB ILE A 66 -1.890 4.992 4.227 1.00 0.35 H new ATOM 0 HG12 ILE A 66 -3.866 6.395 4.619 1.00 0.42 H new ATOM 0 HG13 ILE A 66 -3.760 5.016 5.696 1.00 0.42 H new ATOM 0 HG21 ILE A 66 -1.526 4.385 6.663 1.00 0.39 H new ATOM 0 HG22 ILE A 66 -0.032 4.942 5.871 1.00 0.39 H new ATOM 0 HG23 ILE A 66 -0.930 6.038 6.949 1.00 0.39 H new ATOM 0 HD11 ILE A 66 -4.506 7.019 6.907 1.00 0.42 H new ATOM 0 HD12 ILE A 66 -2.921 6.483 7.512 1.00 0.42 H new ATOM 0 HD13 ILE A 66 -3.029 7.883 6.418 1.00 0.42 H new ATOM 976 N HIS A 67 1.231 6.572 4.191 1.00 0.35 N ATOM 977 CA HIS A 67 2.471 6.189 3.552 1.00 0.43 C ATOM 978 C HIS A 67 3.007 4.974 4.311 1.00 0.53 C ATOM 979 O HIS A 67 3.228 5.057 5.512 1.00 0.57 O ATOM 980 CB HIS A 67 3.413 7.409 3.548 1.00 0.54 C ATOM 981 CG HIS A 67 4.868 7.061 3.587 1.00 2.50 C ATOM 982 ND1 HIS A 67 5.853 7.695 4.309 1.00 3.60 N ATOM 983 CD2 HIS A 67 5.426 5.985 2.972 1.00 4.15 C ATOM 984 CE1 HIS A 67 6.981 6.987 4.128 1.00 5.55 C ATOM 985 NE2 HIS A 67 6.761 5.932 3.332 1.00 5.99 N ATOM 0 H HIS A 67 1.338 6.883 5.156 1.00 0.35 H new ATOM 0 HA HIS A 67 2.355 5.897 2.508 1.00 0.43 H new ATOM 0 HB2 HIS A 67 3.217 8.002 2.655 1.00 0.54 H new ATOM 0 HB3 HIS A 67 3.178 8.038 4.407 1.00 0.54 H new ATOM 0 HD1 HIS A 67 5.748 8.539 4.872 1.00 3.60 H new ATOM 0 HD2 HIS A 67 4.917 5.293 2.317 1.00 4.15 H new ATOM 0 HE1 HIS A 67 7.937 7.235 4.566 1.00 5.55 H new ATOM 993 N ALA A 68 3.246 3.866 3.607 1.00 0.62 N ATOM 994 CA ALA A 68 3.934 2.691 4.118 1.00 0.56 C ATOM 995 C ALA A 68 5.385 2.729 3.646 1.00 0.38 C ATOM 996 O ALA A 68 5.653 3.081 2.496 1.00 0.45 O ATOM 997 CB ALA A 68 3.272 1.428 3.558 1.00 0.69 C ATOM 0 H ALA A 68 2.954 3.764 2.635 1.00 0.62 H new ATOM 0 HA ALA A 68 3.886 2.682 5.207 1.00 0.56 H new ATOM 0 HB1 ALA A 68 3.787 0.547 3.941 1.00 0.69 H new ATOM 0 HB2 ALA A 68 2.226 1.399 3.865 1.00 0.69 H new ATOM 0 HB3 ALA A 68 3.331 1.438 2.470 1.00 0.69 H new ATOM 1003 N VAL A 69 6.329 2.335 4.498 1.00 0.45 N ATOM 1004 CA VAL A 69 7.709 2.256 4.127 1.00 0.64 C ATOM 1005 C VAL A 69 7.981 0.808 3.769 1.00 0.72 C ATOM 1006 O VAL A 69 7.738 -0.070 4.591 1.00 0.82 O ATOM 1007 CB VAL A 69 8.563 2.701 5.317 1.00 0.86 C ATOM 1008 CG1 VAL A 69 10.026 2.382 5.032 1.00 1.52 C ATOM 1009 CG2 VAL A 69 8.397 4.197 5.570 1.00 1.77 C ATOM 0 H VAL A 69 6.141 2.064 5.463 1.00 0.45 H new ATOM 0 HA VAL A 69 7.949 2.900 3.281 1.00 0.64 H new ATOM 0 HB VAL A 69 8.236 2.165 6.208 1.00 0.86 H new ATOM 0 HG11 VAL A 69 10.638 2.697 5.877 1.00 1.52 H new ATOM 0 HG12 VAL A 69 10.142 1.309 4.880 1.00 1.52 H new ATOM 0 HG13 VAL A 69 10.346 2.912 4.135 1.00 1.52 H new ATOM 0 HG21 VAL A 69 9.012 4.493 6.420 1.00 1.77 H new ATOM 0 HG22 VAL A 69 8.709 4.752 4.685 1.00 1.77 H new ATOM 0 HG23 VAL A 69 7.351 4.416 5.786 1.00 1.77 H new ATOM 1019 N GLY A 70 8.510 0.573 2.570 1.00 0.97 N ATOM 1020 CA GLY A 70 9.039 -0.725 2.189 1.00 1.39 C ATOM 1021 C GLY A 70 10.434 -0.569 1.582 1.00 1.61 C ATOM 1022 O GLY A 70 10.675 0.367 0.824 1.00 1.66 O ATOM 0 H GLY A 70 8.582 1.280 1.839 1.00 0.97 H new ATOM 0 HA2 GLY A 70 9.085 -1.377 3.061 1.00 1.39 H new ATOM 0 HA3 GLY A 70 8.372 -1.201 1.470 1.00 1.39 H new ATOM 1026 N PRO A 71 11.381 -1.455 1.914 1.00 2.12 N ATOM 1027 CA PRO A 71 12.627 -1.602 1.190 1.00 2.35 C ATOM 1028 C PRO A 71 12.369 -2.467 -0.052 1.00 1.62 C ATOM 1029 O PRO A 71 11.225 -2.653 -0.464 1.00 1.49 O ATOM 1030 CB PRO A 71 13.557 -2.257 2.213 1.00 3.23 C ATOM 1031 CG PRO A 71 12.619 -3.204 2.960 1.00 3.30 C ATOM 1032 CD PRO A 71 11.278 -2.468 2.942 1.00 2.66 C ATOM 0 HA PRO A 71 13.064 -0.676 0.816 1.00 2.35 H new ATOM 0 HB2 PRO A 71 14.375 -2.793 1.732 1.00 3.23 H new ATOM 0 HB3 PRO A 71 14.007 -1.522 2.881 1.00 3.23 H new ATOM 0 HG2 PRO A 71 12.551 -4.173 2.466 1.00 3.30 H new ATOM 0 HG3 PRO A 71 12.962 -3.388 3.978 1.00 3.30 H new ATOM 0 HD2 PRO A 71 10.460 -3.156 2.728 1.00 2.66 H new ATOM 0 HD3 PRO A 71 11.070 -2.017 3.912 1.00 2.66 H new ATOM 1040 N ASN A 72 13.422 -3.010 -0.665 1.00 1.34 N ATOM 1041 CA ASN A 72 13.318 -3.710 -1.937 1.00 0.88 C ATOM 1042 C ASN A 72 13.934 -5.074 -1.713 1.00 0.74 C ATOM 1043 O ASN A 72 15.138 -5.121 -1.484 1.00 0.77 O ATOM 1044 CB ASN A 72 14.089 -2.964 -3.048 1.00 1.22 C ATOM 1045 CG ASN A 72 13.988 -1.449 -2.955 1.00 1.53 C ATOM 1046 OD1 ASN A 72 13.058 -0.838 -3.456 1.00 2.46 O ATOM 1047 ND2 ASN A 72 14.958 -0.809 -2.313 1.00 2.61 N ATOM 0 H ASN A 72 14.370 -2.974 -0.290 1.00 1.34 H new ATOM 0 HA ASN A 72 12.279 -3.777 -2.259 1.00 0.88 H new ATOM 0 HB2 ASN A 72 15.139 -3.252 -3.004 1.00 1.22 H new ATOM 0 HB3 ASN A 72 13.710 -3.285 -4.018 1.00 1.22 H new ATOM 0 HD21 ASN A 72 14.933 0.208 -2.233 1.00 2.61 H new ATOM 0 HD22 ASN A 72 15.729 -1.334 -1.900 1.00 2.61 H new ATOM 1054 N PHE A 73 13.167 -6.168 -1.778 1.00 0.70 N ATOM 1055 CA PHE A 73 13.715 -7.514 -1.618 1.00 0.75 C ATOM 1056 C PHE A 73 14.816 -7.773 -2.650 1.00 0.77 C ATOM 1057 O PHE A 73 15.746 -8.525 -2.383 1.00 0.89 O ATOM 1058 CB PHE A 73 12.587 -8.554 -1.643 1.00 0.93 C ATOM 1059 CG PHE A 73 12.987 -10.020 -1.625 1.00 1.54 C ATOM 1060 CD1 PHE A 73 12.269 -10.947 -2.406 1.00 2.75 C ATOM 1061 CD2 PHE A 73 14.046 -10.475 -0.819 1.00 2.66 C ATOM 1062 CE1 PHE A 73 12.614 -12.309 -2.387 1.00 3.87 C ATOM 1063 CE2 PHE A 73 14.410 -11.832 -0.819 1.00 3.64 C ATOM 1064 CZ PHE A 73 13.693 -12.752 -1.603 1.00 4.00 C ATOM 0 H PHE A 73 12.160 -6.144 -1.941 1.00 0.70 H new ATOM 0 HA PHE A 73 14.192 -7.604 -0.642 1.00 0.75 H new ATOM 0 HB2 PHE A 73 11.941 -8.371 -0.785 1.00 0.93 H new ATOM 0 HB3 PHE A 73 11.988 -8.379 -2.536 1.00 0.93 H new ATOM 0 HD1 PHE A 73 11.449 -10.609 -3.023 1.00 2.75 H new ATOM 0 HD2 PHE A 73 14.583 -9.776 -0.195 1.00 2.66 H new ATOM 0 HE1 PHE A 73 12.049 -13.017 -2.976 1.00 3.87 H new ATOM 0 HE2 PHE A 73 15.241 -12.168 -0.216 1.00 3.64 H new ATOM 0 HZ PHE A 73 13.970 -13.796 -1.603 1.00 4.00 H new ATOM 1074 N ASN A 74 14.816 -7.046 -3.769 1.00 0.77 N ATOM 1075 CA ASN A 74 15.896 -7.085 -4.748 1.00 0.92 C ATOM 1076 C ASN A 74 17.296 -6.859 -4.151 1.00 1.05 C ATOM 1077 O ASN A 74 18.294 -7.269 -4.735 1.00 1.22 O ATOM 1078 CB ASN A 74 15.615 -6.042 -5.834 1.00 0.97 C ATOM 1079 CG ASN A 74 16.480 -6.297 -7.058 1.00 1.46 C ATOM 1080 OD1 ASN A 74 16.209 -7.208 -7.830 1.00 2.59 O ATOM 1081 ND2 ASN A 74 17.514 -5.496 -7.272 1.00 1.87 N ATOM 0 H ASN A 74 14.059 -6.410 -4.020 1.00 0.77 H new ATOM 0 HA ASN A 74 15.913 -8.093 -5.161 1.00 0.92 H new ATOM 0 HB2 ASN A 74 14.562 -6.075 -6.113 1.00 0.97 H new ATOM 0 HB3 ASN A 74 15.811 -5.043 -5.445 1.00 0.97 H new ATOM 0 HD21 ASN A 74 18.103 -5.632 -8.094 1.00 1.87 H new ATOM 0 HD22 ASN A 74 17.721 -4.744 -6.615 1.00 1.87 H new ATOM 1088 N LYS A 75 17.383 -6.169 -3.011 1.00 1.01 N ATOM 1089 CA LYS A 75 18.608 -5.905 -2.257 1.00 1.13 C ATOM 1090 C LYS A 75 18.402 -6.143 -0.756 1.00 1.03 C ATOM 1091 O LYS A 75 19.194 -5.671 0.056 1.00 1.15 O ATOM 1092 CB LYS A 75 19.048 -4.460 -2.501 1.00 1.27 C ATOM 1093 CG LYS A 75 20.028 -4.375 -3.667 1.00 1.52 C ATOM 1094 CD LYS A 75 20.582 -2.955 -3.673 1.00 1.89 C ATOM 1095 CE LYS A 75 21.286 -2.692 -5.001 1.00 2.07 C ATOM 1096 NZ LYS A 75 21.740 -1.287 -5.107 1.00 3.15 N ATOM 0 H LYS A 75 16.560 -5.760 -2.568 1.00 1.01 H new ATOM 0 HA LYS A 75 19.381 -6.593 -2.600 1.00 1.13 H new ATOM 0 HB2 LYS A 75 18.175 -3.841 -2.709 1.00 1.27 H new ATOM 0 HB3 LYS A 75 19.514 -4.061 -1.600 1.00 1.27 H new ATOM 0 HG2 LYS A 75 20.831 -5.103 -3.551 1.00 1.52 H new ATOM 0 HG3 LYS A 75 19.528 -4.599 -4.609 1.00 1.52 H new ATOM 0 HD2 LYS A 75 19.775 -2.237 -3.528 1.00 1.89 H new ATOM 0 HD3 LYS A 75 21.280 -2.821 -2.846 1.00 1.89 H new ATOM 0 HE2 LYS A 75 22.142 -3.360 -5.099 1.00 2.07 H new ATOM 0 HE3 LYS A 75 20.609 -2.919 -5.824 1.00 2.07 H new ATOM 0 HZ1 LYS A 75 22.214 -1.143 -6.021 1.00 3.15 H new ATOM 0 HZ2 LYS A 75 20.920 -0.651 -5.038 1.00 3.15 H new ATOM 0 HZ3 LYS A 75 22.405 -1.078 -4.336 1.00 3.15 H new ATOM 1110 N VAL A 76 17.362 -6.875 -0.366 1.00 0.86 N ATOM 1111 CA VAL A 76 17.080 -7.173 1.036 1.00 0.82 C ATOM 1112 C VAL A 76 17.089 -8.692 1.189 1.00 0.86 C ATOM 1113 O VAL A 76 16.986 -9.416 0.204 1.00 1.16 O ATOM 1114 CB VAL A 76 15.796 -6.433 1.490 1.00 0.88 C ATOM 1115 CG1 VAL A 76 14.690 -7.300 2.092 1.00 0.83 C ATOM 1116 CG2 VAL A 76 16.169 -5.333 2.485 1.00 0.98 C ATOM 0 H VAL A 76 16.688 -7.280 -1.016 1.00 0.86 H new ATOM 0 HA VAL A 76 17.840 -6.795 1.720 1.00 0.82 H new ATOM 0 HB VAL A 76 15.369 -6.035 0.570 1.00 0.88 H new ATOM 0 HG11 VAL A 76 13.845 -6.670 2.371 1.00 0.83 H new ATOM 0 HG12 VAL A 76 14.366 -8.038 1.358 1.00 0.83 H new ATOM 0 HG13 VAL A 76 15.069 -7.811 2.977 1.00 0.83 H new ATOM 0 HG21 VAL A 76 15.267 -4.811 2.806 1.00 0.98 H new ATOM 0 HG22 VAL A 76 16.659 -5.777 3.352 1.00 0.98 H new ATOM 0 HG23 VAL A 76 16.847 -4.626 2.008 1.00 0.98 H new ATOM 1126 N SER A 77 17.274 -9.206 2.405 1.00 0.80 N ATOM 1127 CA SER A 77 17.226 -10.639 2.626 1.00 0.87 C ATOM 1128 C SER A 77 15.777 -10.989 2.901 1.00 0.80 C ATOM 1129 O SER A 77 15.068 -10.176 3.484 1.00 0.73 O ATOM 1130 CB SER A 77 18.094 -10.979 3.834 1.00 0.96 C ATOM 1131 OG SER A 77 19.429 -10.612 3.561 1.00 1.51 O ATOM 0 H SER A 77 17.457 -8.651 3.241 1.00 0.80 H new ATOM 0 HA SER A 77 17.597 -11.198 1.767 1.00 0.87 H new ATOM 0 HB2 SER A 77 17.732 -10.452 4.717 1.00 0.96 H new ATOM 0 HB3 SER A 77 18.034 -12.045 4.052 1.00 0.96 H new ATOM 0 HG SER A 77 19.992 -10.826 4.334 1.00 1.51 H new ATOM 1137 N GLU A 78 15.335 -12.198 2.557 1.00 0.83 N ATOM 1138 CA GLU A 78 13.949 -12.605 2.767 1.00 0.77 C ATOM 1139 C GLU A 78 13.553 -12.468 4.238 1.00 0.71 C ATOM 1140 O GLU A 78 12.401 -12.218 4.551 1.00 0.67 O ATOM 1141 CB GLU A 78 13.750 -14.052 2.301 1.00 0.84 C ATOM 1142 CG GLU A 78 12.433 -14.223 1.530 1.00 1.22 C ATOM 1143 CD GLU A 78 11.713 -15.512 1.926 1.00 2.07 C ATOM 1144 OE1 GLU A 78 12.189 -16.585 1.493 1.00 2.76 O ATOM 1145 OE2 GLU A 78 10.721 -15.411 2.681 1.00 3.17 O ATOM 0 H GLU A 78 15.921 -12.915 2.130 1.00 0.83 H new ATOM 0 HA GLU A 78 13.308 -11.947 2.180 1.00 0.77 H new ATOM 0 HB2 GLU A 78 14.585 -14.348 1.666 1.00 0.84 H new ATOM 0 HB3 GLU A 78 13.755 -14.717 3.165 1.00 0.84 H new ATOM 0 HG2 GLU A 78 11.784 -13.369 1.723 1.00 1.22 H new ATOM 0 HG3 GLU A 78 12.636 -14.233 0.459 1.00 1.22 H new ATOM 1152 N VAL A 79 14.521 -12.604 5.146 1.00 0.75 N ATOM 1153 CA VAL A 79 14.304 -12.475 6.584 1.00 0.75 C ATOM 1154 C VAL A 79 13.868 -11.048 6.909 1.00 0.70 C ATOM 1155 O VAL A 79 12.928 -10.818 7.669 1.00 0.70 O ATOM 1156 CB VAL A 79 15.606 -12.845 7.315 1.00 0.82 C ATOM 1157 CG1 VAL A 79 15.554 -12.537 8.817 1.00 0.88 C ATOM 1158 CG2 VAL A 79 15.903 -14.337 7.133 1.00 0.92 C ATOM 0 H VAL A 79 15.489 -12.809 4.898 1.00 0.75 H new ATOM 0 HA VAL A 79 13.514 -13.149 6.915 1.00 0.75 H new ATOM 0 HB VAL A 79 16.393 -12.234 6.873 1.00 0.82 H new ATOM 0 HG11 VAL A 79 16.500 -12.819 9.279 1.00 0.88 H new ATOM 0 HG12 VAL A 79 15.382 -11.471 8.964 1.00 0.88 H new ATOM 0 HG13 VAL A 79 14.743 -13.102 9.276 1.00 0.88 H new ATOM 0 HG21 VAL A 79 16.826 -14.590 7.654 1.00 0.92 H new ATOM 0 HG22 VAL A 79 15.082 -14.924 7.544 1.00 0.92 H new ATOM 0 HG23 VAL A 79 16.012 -14.559 6.072 1.00 0.92 H new ATOM 1168 N GLU A 80 14.581 -10.076 6.351 1.00 0.68 N ATOM 1169 CA GLU A 80 14.277 -8.679 6.586 1.00 0.61 C ATOM 1170 C GLU A 80 12.982 -8.334 5.868 1.00 0.58 C ATOM 1171 O GLU A 80 12.186 -7.583 6.404 1.00 0.59 O ATOM 1172 CB GLU A 80 15.462 -7.830 6.105 1.00 0.66 C ATOM 1173 CG GLU A 80 15.304 -6.327 6.363 1.00 0.83 C ATOM 1174 CD GLU A 80 15.674 -5.991 7.805 1.00 1.46 C ATOM 1175 OE1 GLU A 80 16.750 -5.379 7.987 1.00 2.24 O ATOM 1176 OE2 GLU A 80 14.903 -6.395 8.703 1.00 2.57 O ATOM 0 H GLU A 80 15.375 -10.236 5.731 1.00 0.68 H new ATOM 0 HA GLU A 80 14.132 -8.473 7.646 1.00 0.61 H new ATOM 0 HB2 GLU A 80 16.369 -8.179 6.599 1.00 0.66 H new ATOM 0 HB3 GLU A 80 15.600 -7.991 5.036 1.00 0.66 H new ATOM 0 HG2 GLU A 80 15.939 -5.766 5.678 1.00 0.83 H new ATOM 0 HG3 GLU A 80 14.276 -6.024 6.165 1.00 0.83 H new ATOM 1183 N GLY A 81 12.726 -8.881 4.680 1.00 0.62 N ATOM 1184 CA GLY A 81 11.512 -8.551 3.958 1.00 0.61 C ATOM 1185 C GLY A 81 10.280 -9.246 4.523 1.00 0.60 C ATOM 1186 O GLY A 81 9.177 -8.758 4.323 1.00 0.61 O ATOM 0 H GLY A 81 13.338 -9.546 4.207 1.00 0.62 H new ATOM 0 HA2 GLY A 81 11.360 -7.472 3.987 1.00 0.61 H new ATOM 0 HA3 GLY A 81 11.631 -8.828 2.911 1.00 0.61 H new ATOM 1190 N ASP A 82 10.439 -10.359 5.232 1.00 0.62 N ATOM 1191 CA ASP A 82 9.362 -10.977 5.992 1.00 0.64 C ATOM 1192 C ASP A 82 8.940 -9.988 7.064 1.00 0.57 C ATOM 1193 O ASP A 82 7.787 -9.564 7.132 1.00 0.54 O ATOM 1194 CB ASP A 82 9.848 -12.291 6.619 1.00 0.73 C ATOM 1195 CG ASP A 82 8.967 -12.726 7.792 1.00 0.99 C ATOM 1196 OD1 ASP A 82 7.790 -13.051 7.534 1.00 1.59 O ATOM 1197 OD2 ASP A 82 9.484 -12.710 8.932 1.00 1.95 O ATOM 0 H ASP A 82 11.325 -10.860 5.295 1.00 0.62 H new ATOM 0 HA ASP A 82 8.516 -11.216 5.348 1.00 0.64 H new ATOM 0 HB2 ASP A 82 9.855 -13.074 5.861 1.00 0.73 H new ATOM 0 HB3 ASP A 82 10.876 -12.171 6.962 1.00 0.73 H new ATOM 1202 N LYS A 83 9.906 -9.560 7.876 1.00 0.55 N ATOM 1203 CA LYS A 83 9.589 -8.686 8.988 1.00 0.52 C ATOM 1204 C LYS A 83 9.082 -7.356 8.482 1.00 0.47 C ATOM 1205 O LYS A 83 8.118 -6.851 9.030 1.00 0.45 O ATOM 1206 CB LYS A 83 10.798 -8.514 9.900 1.00 0.57 C ATOM 1207 CG LYS A 83 10.757 -9.614 10.963 1.00 0.75 C ATOM 1208 CD LYS A 83 12.141 -9.857 11.555 1.00 1.07 C ATOM 1209 CE LYS A 83 11.973 -10.670 12.840 1.00 2.24 C ATOM 1210 NZ LYS A 83 13.273 -11.150 13.350 1.00 3.13 N ATOM 0 H LYS A 83 10.893 -9.802 7.783 1.00 0.55 H new ATOM 0 HA LYS A 83 8.796 -9.144 9.579 1.00 0.52 H new ATOM 0 HB2 LYS A 83 11.721 -8.577 9.323 1.00 0.57 H new ATOM 0 HB3 LYS A 83 10.782 -7.531 10.370 1.00 0.57 H new ATOM 0 HG2 LYS A 83 10.063 -9.333 11.755 1.00 0.75 H new ATOM 0 HG3 LYS A 83 10.380 -10.537 10.522 1.00 0.75 H new ATOM 0 HD2 LYS A 83 12.770 -10.394 10.845 1.00 1.07 H new ATOM 0 HD3 LYS A 83 12.636 -8.909 11.766 1.00 1.07 H new ATOM 0 HE2 LYS A 83 11.487 -10.057 13.599 1.00 2.24 H new ATOM 0 HE3 LYS A 83 11.319 -11.521 12.651 1.00 2.24 H new ATOM 0 HZ1 LYS A 83 13.123 -11.697 14.222 1.00 3.13 H new ATOM 0 HZ2 LYS A 83 13.725 -11.755 12.635 1.00 3.13 H new ATOM 0 HZ3 LYS A 83 13.888 -10.336 13.554 1.00 3.13 H new ATOM 1224 N GLN A 84 9.685 -6.795 7.438 1.00 0.50 N ATOM 1225 CA GLN A 84 9.258 -5.530 6.870 1.00 0.53 C ATOM 1226 C GLN A 84 7.843 -5.700 6.357 1.00 0.60 C ATOM 1227 O GLN A 84 7.030 -4.806 6.535 1.00 0.65 O ATOM 1228 CB GLN A 84 10.220 -5.016 5.780 1.00 0.62 C ATOM 1229 CG GLN A 84 9.846 -5.365 4.332 1.00 2.97 C ATOM 1230 CD GLN A 84 8.679 -4.557 3.764 1.00 4.35 C ATOM 1231 OE1 GLN A 84 8.503 -3.391 4.077 1.00 3.68 O ATOM 1232 NE2 GLN A 84 7.869 -5.158 2.904 1.00 6.46 N ATOM 0 H GLN A 84 10.487 -7.211 6.964 1.00 0.50 H new ATOM 0 HA GLN A 84 9.277 -4.761 7.643 1.00 0.53 H new ATOM 0 HB2 GLN A 84 10.288 -3.931 5.865 1.00 0.62 H new ATOM 0 HB3 GLN A 84 11.214 -5.414 5.984 1.00 0.62 H new ATOM 0 HG2 GLN A 84 10.719 -5.212 3.698 1.00 2.97 H new ATOM 0 HG3 GLN A 84 9.596 -6.425 4.280 1.00 2.97 H new ATOM 0 HE21 GLN A 84 8.027 -6.133 2.651 1.00 6.46 H new ATOM 0 HE22 GLN A 84 7.088 -4.645 2.496 1.00 6.46 H new ATOM 1241 N LEU A 85 7.527 -6.822 5.700 1.00 0.62 N ATOM 1242 CA LEU A 85 6.197 -6.966 5.132 1.00 0.65 C ATOM 1243 C LEU A 85 5.189 -6.977 6.268 1.00 0.60 C ATOM 1244 O LEU A 85 4.137 -6.354 6.154 1.00 0.61 O ATOM 1245 CB LEU A 85 6.127 -8.207 4.223 1.00 0.69 C ATOM 1246 CG LEU A 85 4.871 -8.319 3.338 1.00 0.64 C ATOM 1247 CD1 LEU A 85 4.630 -7.018 2.563 1.00 0.81 C ATOM 1248 CD2 LEU A 85 5.070 -9.453 2.327 1.00 0.88 C ATOM 0 H LEU A 85 8.154 -7.613 5.555 1.00 0.62 H new ATOM 0 HA LEU A 85 5.954 -6.123 4.485 1.00 0.65 H new ATOM 0 HB2 LEU A 85 7.005 -8.211 3.577 1.00 0.69 H new ATOM 0 HB3 LEU A 85 6.188 -9.097 4.849 1.00 0.69 H new ATOM 0 HG LEU A 85 4.013 -8.516 3.981 1.00 0.64 H new ATOM 0 HD11 LEU A 85 3.738 -7.122 1.946 1.00 0.81 H new ATOM 0 HD12 LEU A 85 4.491 -6.196 3.266 1.00 0.81 H new ATOM 0 HD13 LEU A 85 5.490 -6.809 1.926 1.00 0.81 H new ATOM 0 HD21 LEU A 85 4.185 -9.538 1.697 1.00 0.88 H new ATOM 0 HD22 LEU A 85 5.939 -9.238 1.705 1.00 0.88 H new ATOM 0 HD23 LEU A 85 5.228 -10.391 2.859 1.00 0.88 H new ATOM 1260 N ALA A 86 5.534 -7.607 7.394 1.00 0.55 N ATOM 1261 CA ALA A 86 4.656 -7.608 8.550 1.00 0.50 C ATOM 1262 C ALA A 86 4.672 -6.270 9.279 1.00 0.41 C ATOM 1263 O ALA A 86 3.685 -5.928 9.905 1.00 0.38 O ATOM 1264 CB ALA A 86 5.068 -8.730 9.504 1.00 0.55 C ATOM 0 H ALA A 86 6.408 -8.116 7.522 1.00 0.55 H new ATOM 0 HA ALA A 86 3.638 -7.775 8.198 1.00 0.50 H new ATOM 0 HB1 ALA A 86 4.408 -8.730 10.372 1.00 0.55 H new ATOM 0 HB2 ALA A 86 4.994 -9.689 8.991 1.00 0.55 H new ATOM 0 HB3 ALA A 86 6.096 -8.571 9.830 1.00 0.55 H new ATOM 1270 N GLU A 87 5.756 -5.504 9.225 1.00 0.39 N ATOM 1271 CA GLU A 87 5.888 -4.221 9.900 1.00 0.35 C ATOM 1272 C GLU A 87 5.056 -3.187 9.166 1.00 0.35 C ATOM 1273 O GLU A 87 4.392 -2.366 9.789 1.00 0.34 O ATOM 1274 CB GLU A 87 7.361 -3.793 9.924 1.00 0.33 C ATOM 1275 CG GLU A 87 8.117 -4.400 11.114 1.00 0.36 C ATOM 1276 CD GLU A 87 8.839 -3.321 11.922 1.00 0.93 C ATOM 1277 OE1 GLU A 87 10.083 -3.258 11.812 1.00 1.57 O ATOM 1278 OE2 GLU A 87 8.137 -2.566 12.631 1.00 2.26 O ATOM 0 H GLU A 87 6.588 -5.766 8.696 1.00 0.39 H new ATOM 0 HA GLU A 87 5.534 -4.309 10.927 1.00 0.35 H new ATOM 0 HB2 GLU A 87 7.842 -4.098 8.995 1.00 0.33 H new ATOM 0 HB3 GLU A 87 7.422 -2.706 9.972 1.00 0.33 H new ATOM 0 HG2 GLU A 87 7.418 -4.933 11.758 1.00 0.36 H new ATOM 0 HG3 GLU A 87 8.840 -5.132 10.753 1.00 0.36 H new ATOM 1285 N ALA A 88 5.048 -3.245 7.837 1.00 0.38 N ATOM 1286 CA ALA A 88 4.243 -2.344 7.038 1.00 0.37 C ATOM 1287 C ALA A 88 2.790 -2.717 7.293 1.00 0.37 C ATOM 1288 O ALA A 88 1.972 -1.873 7.642 1.00 0.39 O ATOM 1289 CB ALA A 88 4.620 -2.440 5.551 1.00 0.37 C ATOM 0 H ALA A 88 5.595 -3.913 7.294 1.00 0.38 H new ATOM 0 HA ALA A 88 4.415 -1.304 7.316 1.00 0.37 H new ATOM 0 HB1 ALA A 88 4.001 -1.753 4.974 1.00 0.37 H new ATOM 0 HB2 ALA A 88 5.670 -2.176 5.424 1.00 0.37 H new ATOM 0 HB3 ALA A 88 4.457 -3.459 5.199 1.00 0.37 H new ATOM 1295 N TYR A 89 2.472 -4.001 7.147 1.00 0.37 N ATOM 1296 CA TYR A 89 1.135 -4.527 7.323 1.00 0.40 C ATOM 1297 C TYR A 89 0.630 -4.345 8.750 1.00 0.40 C ATOM 1298 O TYR A 89 -0.568 -4.179 8.924 1.00 0.42 O ATOM 1299 CB TYR A 89 1.145 -5.996 6.895 1.00 0.42 C ATOM 1300 CG TYR A 89 1.162 -6.264 5.392 1.00 0.49 C ATOM 1301 CD1 TYR A 89 1.484 -5.264 4.447 1.00 1.55 C ATOM 1302 CD2 TYR A 89 0.857 -7.559 4.937 1.00 1.94 C ATOM 1303 CE1 TYR A 89 1.508 -5.556 3.069 1.00 1.54 C ATOM 1304 CE2 TYR A 89 0.873 -7.848 3.564 1.00 2.02 C ATOM 1305 CZ TYR A 89 1.200 -6.857 2.619 1.00 0.73 C ATOM 1306 OH TYR A 89 1.174 -7.147 1.286 1.00 0.87 O ATOM 0 H TYR A 89 3.157 -4.714 6.898 1.00 0.37 H new ATOM 0 HA TYR A 89 0.436 -3.970 6.699 1.00 0.40 H new ATOM 0 HB2 TYR A 89 2.018 -6.475 7.338 1.00 0.42 H new ATOM 0 HB3 TYR A 89 0.266 -6.482 7.319 1.00 0.42 H new ATOM 0 HD1 TYR A 89 1.714 -4.264 4.785 1.00 1.55 H new ATOM 0 HD2 TYR A 89 0.609 -8.334 5.647 1.00 1.94 H new ATOM 0 HE1 TYR A 89 1.762 -4.784 2.358 1.00 1.54 H new ATOM 0 HE2 TYR A 89 0.631 -8.845 3.227 1.00 2.02 H new ATOM 0 HH TYR A 89 0.717 -8.003 1.146 1.00 0.87 H new ATOM 1316 N GLU A 90 1.485 -4.330 9.771 1.00 0.41 N ATOM 1317 CA GLU A 90 1.065 -4.049 11.134 1.00 0.45 C ATOM 1318 C GLU A 90 0.919 -2.559 11.316 1.00 0.35 C ATOM 1319 O GLU A 90 0.018 -2.113 12.004 1.00 0.37 O ATOM 1320 CB GLU A 90 2.056 -4.554 12.191 1.00 0.57 C ATOM 1321 CG GLU A 90 1.802 -6.018 12.550 1.00 1.59 C ATOM 1322 CD GLU A 90 1.927 -6.226 14.063 1.00 2.10 C ATOM 1323 OE1 GLU A 90 0.875 -6.152 14.744 1.00 3.57 O ATOM 1324 OE2 GLU A 90 3.072 -6.406 14.533 1.00 2.16 O ATOM 0 H GLU A 90 2.484 -4.512 9.673 1.00 0.41 H new ATOM 0 HA GLU A 90 0.121 -4.574 11.278 1.00 0.45 H new ATOM 0 HB2 GLU A 90 3.074 -4.442 11.818 1.00 0.57 H new ATOM 0 HB3 GLU A 90 1.976 -3.940 13.088 1.00 0.57 H new ATOM 0 HG2 GLU A 90 0.807 -6.314 12.217 1.00 1.59 H new ATOM 0 HG3 GLU A 90 2.515 -6.656 12.029 1.00 1.59 H new ATOM 1331 N SER A 91 1.786 -1.749 10.729 1.00 0.33 N ATOM 1332 CA SER A 91 1.648 -0.323 10.917 1.00 0.32 C ATOM 1333 C SER A 91 0.318 0.099 10.305 1.00 0.33 C ATOM 1334 O SER A 91 -0.411 0.890 10.889 1.00 0.39 O ATOM 1335 CB SER A 91 2.872 0.399 10.340 1.00 0.42 C ATOM 1336 OG SER A 91 3.017 1.686 10.913 1.00 1.45 O ATOM 0 H SER A 91 2.564 -2.044 10.140 1.00 0.33 H new ATOM 0 HA SER A 91 1.624 -0.045 11.971 1.00 0.32 H new ATOM 0 HB2 SER A 91 3.769 -0.191 10.529 1.00 0.42 H new ATOM 0 HB3 SER A 91 2.770 0.488 9.258 1.00 0.42 H new ATOM 0 HG SER A 91 3.802 1.696 11.500 1.00 1.45 H new ATOM 1342 N ILE A 92 -0.057 -0.493 9.171 1.00 0.33 N ATOM 1343 CA ILE A 92 -1.294 -0.174 8.499 1.00 0.37 C ATOM 1344 C ILE A 92 -2.464 -0.825 9.239 1.00 0.36 C ATOM 1345 O ILE A 92 -3.474 -0.172 9.465 1.00 0.38 O ATOM 1346 CB ILE A 92 -1.155 -0.576 7.019 1.00 0.44 C ATOM 1347 CG1 ILE A 92 -0.572 0.593 6.207 1.00 0.56 C ATOM 1348 CG2 ILE A 92 -2.480 -0.979 6.388 1.00 0.60 C ATOM 1349 CD1 ILE A 92 0.949 0.586 6.159 1.00 0.74 C ATOM 0 H ILE A 92 0.498 -1.208 8.700 1.00 0.33 H new ATOM 0 HA ILE A 92 -1.509 0.895 8.513 1.00 0.37 H new ATOM 0 HB ILE A 92 -0.490 -1.440 6.998 1.00 0.44 H new ATOM 0 HG12 ILE A 92 -0.962 0.551 5.190 1.00 0.56 H new ATOM 0 HG13 ILE A 92 -0.912 1.534 6.640 1.00 0.56 H new ATOM 0 HG21 ILE A 92 -2.318 -1.252 5.345 1.00 0.60 H new ATOM 0 HG22 ILE A 92 -2.895 -1.832 6.926 1.00 0.60 H new ATOM 0 HG23 ILE A 92 -3.177 -0.143 6.441 1.00 0.60 H new ATOM 0 HD11 ILE A 92 1.298 1.435 5.572 1.00 0.74 H new ATOM 0 HD12 ILE A 92 1.345 0.658 7.172 1.00 0.74 H new ATOM 0 HD13 ILE A 92 1.294 -0.340 5.699 1.00 0.74 H new ATOM 1361 N ALA A 93 -2.359 -2.096 9.622 1.00 0.38 N ATOM 1362 CA ALA A 93 -3.476 -2.835 10.212 1.00 0.45 C ATOM 1363 C ALA A 93 -3.809 -2.274 11.590 1.00 0.40 C ATOM 1364 O ALA A 93 -4.971 -2.064 11.933 1.00 0.40 O ATOM 1365 CB ALA A 93 -3.159 -4.331 10.308 1.00 0.58 C ATOM 0 H ALA A 93 -1.502 -2.642 9.533 1.00 0.38 H new ATOM 0 HA ALA A 93 -4.343 -2.716 9.562 1.00 0.45 H new ATOM 0 HB1 ALA A 93 -4.007 -4.855 10.750 1.00 0.58 H new ATOM 0 HB2 ALA A 93 -2.968 -4.727 9.311 1.00 0.58 H new ATOM 0 HB3 ALA A 93 -2.277 -4.477 10.932 1.00 0.58 H new ATOM 1371 N LYS A 94 -2.786 -2.002 12.395 1.00 0.39 N ATOM 1372 CA LYS A 94 -2.991 -1.333 13.662 1.00 0.39 C ATOM 1373 C LYS A 94 -3.572 0.046 13.392 1.00 0.37 C ATOM 1374 O LYS A 94 -4.575 0.367 14.009 1.00 0.40 O ATOM 1375 CB LYS A 94 -1.721 -1.300 14.520 1.00 0.44 C ATOM 1376 CG LYS A 94 -1.236 -2.729 14.829 1.00 1.15 C ATOM 1377 CD LYS A 94 -0.578 -2.840 16.203 1.00 1.83 C ATOM 1378 CE LYS A 94 -1.669 -2.948 17.273 1.00 3.49 C ATOM 1379 NZ LYS A 94 -1.496 -4.164 18.096 1.00 4.55 N ATOM 0 H LYS A 94 -1.815 -2.236 12.188 1.00 0.39 H new ATOM 0 HA LYS A 94 -3.705 -1.899 14.261 1.00 0.39 H new ATOM 0 HB2 LYS A 94 -0.938 -0.750 13.999 1.00 0.44 H new ATOM 0 HB3 LYS A 94 -1.919 -0.768 15.451 1.00 0.44 H new ATOM 0 HG2 LYS A 94 -2.082 -3.415 14.778 1.00 1.15 H new ATOM 0 HG3 LYS A 94 -0.526 -3.042 14.063 1.00 1.15 H new ATOM 0 HD2 LYS A 94 0.072 -3.714 16.239 1.00 1.83 H new ATOM 0 HD3 LYS A 94 0.049 -1.968 16.391 1.00 1.83 H new ATOM 0 HE2 LYS A 94 -1.642 -2.066 17.913 1.00 3.49 H new ATOM 0 HE3 LYS A 94 -2.649 -2.966 16.796 1.00 3.49 H new ATOM 0 HZ1 LYS A 94 -2.250 -4.209 18.811 1.00 4.55 H new ATOM 0 HZ2 LYS A 94 -1.546 -5.005 17.487 1.00 4.55 H new ATOM 0 HZ3 LYS A 94 -0.571 -4.134 18.570 1.00 4.55 H new ATOM 1393 N ILE A 95 -3.061 0.811 12.417 1.00 0.35 N ATOM 1394 CA ILE A 95 -3.638 2.128 12.118 1.00 0.37 C ATOM 1395 C ILE A 95 -5.115 2.006 11.742 1.00 0.39 C ATOM 1396 O ILE A 95 -5.910 2.881 12.070 1.00 0.44 O ATOM 1397 CB ILE A 95 -2.813 2.867 11.043 1.00 0.38 C ATOM 1398 CG1 ILE A 95 -1.570 3.477 11.718 1.00 0.65 C ATOM 1399 CG2 ILE A 95 -3.596 3.984 10.331 1.00 0.74 C ATOM 1400 CD1 ILE A 95 -0.526 3.978 10.711 1.00 0.62 C ATOM 0 H ILE A 95 -2.267 0.548 11.834 1.00 0.35 H new ATOM 0 HA ILE A 95 -3.591 2.736 13.021 1.00 0.37 H new ATOM 0 HB ILE A 95 -2.544 2.137 10.280 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -1.879 4.306 12.355 1.00 0.65 H new ATOM 0 HG13 ILE A 95 -1.112 2.730 12.366 1.00 0.65 H new ATOM 0 HG21 ILE A 95 -2.956 4.461 9.589 1.00 0.74 H new ATOM 0 HG22 ILE A 95 -4.469 3.558 9.837 1.00 0.74 H new ATOM 0 HG23 ILE A 95 -3.918 4.725 11.062 1.00 0.74 H new ATOM 0 HD11 ILE A 95 0.326 4.396 11.248 1.00 0.62 H new ATOM 0 HD12 ILE A 95 -0.191 3.147 10.090 1.00 0.62 H new ATOM 0 HD13 ILE A 95 -0.970 4.747 10.079 1.00 0.62 H new ATOM 1412 N VAL A 96 -5.498 0.929 11.063 1.00 0.40 N ATOM 1413 CA VAL A 96 -6.859 0.669 10.629 1.00 0.45 C ATOM 1414 C VAL A 96 -7.746 0.480 11.852 1.00 0.48 C ATOM 1415 O VAL A 96 -8.872 0.964 11.883 1.00 0.52 O ATOM 1416 CB VAL A 96 -6.859 -0.544 9.675 1.00 0.51 C ATOM 1417 CG1 VAL A 96 -8.208 -1.266 9.565 1.00 0.65 C ATOM 1418 CG2 VAL A 96 -6.449 -0.100 8.269 1.00 0.54 C ATOM 0 H VAL A 96 -4.846 0.192 10.793 1.00 0.40 H new ATOM 0 HA VAL A 96 -7.268 1.512 10.071 1.00 0.45 H new ATOM 0 HB VAL A 96 -6.148 -1.248 10.108 1.00 0.51 H new ATOM 0 HG11 VAL A 96 -8.117 -2.104 8.875 1.00 0.65 H new ATOM 0 HG12 VAL A 96 -8.504 -1.635 10.547 1.00 0.65 H new ATOM 0 HG13 VAL A 96 -8.963 -0.572 9.195 1.00 0.65 H new ATOM 0 HG21 VAL A 96 -6.451 -0.961 7.601 1.00 0.54 H new ATOM 0 HG22 VAL A 96 -7.155 0.646 7.903 1.00 0.54 H new ATOM 0 HG23 VAL A 96 -5.449 0.332 8.301 1.00 0.54 H new ATOM 1428 N ASN A 97 -7.243 -0.202 12.875 1.00 0.50 N ATOM 1429 CA ASN A 97 -8.025 -0.472 14.073 1.00 0.59 C ATOM 1430 C ASN A 97 -8.070 0.770 14.950 1.00 0.61 C ATOM 1431 O ASN A 97 -9.098 1.052 15.560 1.00 0.70 O ATOM 1432 CB ASN A 97 -7.427 -1.657 14.851 1.00 0.66 C ATOM 1433 CG ASN A 97 -8.214 -2.944 14.636 1.00 0.69 C ATOM 1434 OD1 ASN A 97 -9.016 -3.057 13.719 1.00 1.26 O ATOM 1435 ND2 ASN A 97 -8.004 -3.938 15.489 1.00 1.29 N ATOM 0 H ASN A 97 -6.295 -0.578 12.897 1.00 0.50 H new ATOM 0 HA ASN A 97 -9.041 -0.735 13.779 1.00 0.59 H new ATOM 0 HB2 ASN A 97 -6.394 -1.809 14.540 1.00 0.66 H new ATOM 0 HB3 ASN A 97 -7.408 -1.418 15.914 1.00 0.66 H new ATOM 0 HD21 ASN A 97 -8.515 -4.815 15.386 1.00 1.29 H new ATOM 0 HD22 ASN A 97 -7.331 -3.826 16.247 1.00 1.29 H new ATOM 1442 N ASP A 98 -6.968 1.516 14.990 1.00 0.56 N ATOM 1443 CA ASP A 98 -6.794 2.714 15.796 1.00 0.61 C ATOM 1444 C ASP A 98 -7.767 3.772 15.298 1.00 0.64 C ATOM 1445 O ASP A 98 -8.415 4.461 16.080 1.00 0.73 O ATOM 1446 CB ASP A 98 -5.351 3.222 15.661 1.00 0.58 C ATOM 1447 CG ASP A 98 -4.384 2.558 16.643 1.00 1.54 C ATOM 1448 OD1 ASP A 98 -4.705 2.575 17.851 1.00 2.27 O ATOM 1449 OD2 ASP A 98 -3.325 2.075 16.182 1.00 2.70 O ATOM 0 H ASP A 98 -6.141 1.290 14.438 1.00 0.56 H new ATOM 0 HA ASP A 98 -6.989 2.495 16.846 1.00 0.61 H new ATOM 0 HB2 ASP A 98 -5.004 3.044 14.643 1.00 0.58 H new ATOM 0 HB3 ASP A 98 -5.336 4.300 15.819 1.00 0.58 H new ATOM 1454 N ASN A 99 -7.880 3.901 13.976 1.00 0.58 N ATOM 1455 CA ASN A 99 -8.837 4.810 13.374 1.00 0.61 C ATOM 1456 C ASN A 99 -10.214 4.161 13.244 1.00 0.67 C ATOM 1457 O ASN A 99 -11.184 4.837 12.905 1.00 0.74 O ATOM 1458 CB ASN A 99 -8.332 5.213 11.996 1.00 0.55 C ATOM 1459 CG ASN A 99 -7.707 6.597 11.999 1.00 0.92 C ATOM 1460 OD1 ASN A 99 -8.291 7.565 11.521 1.00 0.93 O ATOM 1461 ND2 ASN A 99 -6.497 6.711 12.522 1.00 2.69 N ATOM 0 H ASN A 99 -7.315 3.382 13.304 1.00 0.58 H new ATOM 0 HA ASN A 99 -8.937 5.686 14.015 1.00 0.61 H new ATOM 0 HB2 ASN A 99 -7.597 4.485 11.652 1.00 0.55 H new ATOM 0 HB3 ASN A 99 -9.159 5.191 11.286 1.00 0.55 H new ATOM 0 HD21 ASN A 99 -6.030 7.618 12.534 1.00 2.69 H new ATOM 0 HD22 ASN A 99 -6.031 5.892 12.913 1.00 2.69 H new ATOM 1468 N ASN A 100 -10.306 2.853 13.487 1.00 0.66 N ATOM 1469 CA ASN A 100 -11.534 2.086 13.411 1.00 0.72 C ATOM 1470 C ASN A 100 -12.175 2.224 12.035 1.00 0.68 C ATOM 1471 O ASN A 100 -13.374 2.465 11.920 1.00 0.74 O ATOM 1472 CB ASN A 100 -12.458 2.552 14.539 1.00 0.84 C ATOM 1473 CG ASN A 100 -13.376 1.436 15.004 1.00 1.01 C ATOM 1474 OD1 ASN A 100 -14.535 1.363 14.612 1.00 1.50 O ATOM 1475 ND2 ASN A 100 -12.865 0.560 15.859 1.00 1.92 N ATOM 0 H ASN A 100 -9.499 2.288 13.750 1.00 0.66 H new ATOM 0 HA ASN A 100 -11.330 1.023 13.541 1.00 0.72 H new ATOM 0 HB2 ASN A 100 -11.859 2.905 15.378 1.00 0.84 H new ATOM 0 HB3 ASN A 100 -13.055 3.397 14.196 1.00 0.84 H new ATOM 0 HD21 ASN A 100 -13.441 -0.205 16.211 1.00 1.92 H new ATOM 0 HD22 ASN A 100 -11.896 0.651 16.164 1.00 1.92 H new ATOM 1482 N TYR A 101 -11.381 2.130 10.970 1.00 0.64 N ATOM 1483 CA TYR A 101 -11.910 2.282 9.628 1.00 0.70 C ATOM 1484 C TYR A 101 -12.833 1.128 9.279 1.00 0.93 C ATOM 1485 O TYR A 101 -12.560 -0.031 9.573 1.00 1.14 O ATOM 1486 CB TYR A 101 -10.786 2.402 8.609 1.00 0.72 C ATOM 1487 CG TYR A 101 -9.903 3.626 8.769 1.00 0.62 C ATOM 1488 CD1 TYR A 101 -10.468 4.894 9.009 1.00 2.16 C ATOM 1489 CD2 TYR A 101 -8.510 3.505 8.623 1.00 1.90 C ATOM 1490 CE1 TYR A 101 -9.655 6.040 9.029 1.00 2.21 C ATOM 1491 CE2 TYR A 101 -7.683 4.640 8.683 1.00 2.01 C ATOM 1492 CZ TYR A 101 -8.256 5.917 8.860 1.00 1.00 C ATOM 1493 OH TYR A 101 -7.455 7.016 8.926 1.00 1.34 O ATOM 0 H TYR A 101 -10.378 1.951 11.015 1.00 0.64 H new ATOM 0 HA TYR A 101 -12.491 3.204 9.598 1.00 0.70 H new ATOM 0 HB2 TYR A 101 -10.161 1.511 8.673 1.00 0.72 H new ATOM 0 HB3 TYR A 101 -11.222 2.415 7.610 1.00 0.72 H new ATOM 0 HD1 TYR A 101 -11.531 4.986 9.178 1.00 2.16 H new ATOM 0 HD2 TYR A 101 -8.071 2.531 8.463 1.00 1.90 H new ATOM 0 HE1 TYR A 101 -10.098 7.014 9.173 1.00 2.21 H new ATOM 0 HE2 TYR A 101 -6.612 4.535 8.594 1.00 2.01 H new ATOM 0 HH TYR A 101 -7.767 7.606 9.644 1.00 1.34 H new ATOM 1503 N LYS A 102 -13.941 1.477 8.627 1.00 1.09 N ATOM 1504 CA LYS A 102 -14.915 0.522 8.149 1.00 1.40 C ATOM 1505 C LYS A 102 -14.326 -0.211 6.948 1.00 1.14 C ATOM 1506 O LYS A 102 -14.589 -1.391 6.767 1.00 1.36 O ATOM 1507 CB LYS A 102 -16.224 1.238 7.780 1.00 1.82 C ATOM 1508 CG LYS A 102 -17.092 1.632 8.990 1.00 2.20 C ATOM 1509 CD LYS A 102 -16.854 3.029 9.590 1.00 2.94 C ATOM 1510 CE LYS A 102 -15.520 3.130 10.332 1.00 2.87 C ATOM 1511 NZ LYS A 102 -15.582 3.992 11.533 1.00 3.83 N ATOM 0 H LYS A 102 -14.182 2.446 8.418 1.00 1.09 H new ATOM 0 HA LYS A 102 -15.148 -0.202 8.930 1.00 1.40 H new ATOM 0 HB2 LYS A 102 -15.985 2.136 7.211 1.00 1.82 H new ATOM 0 HB3 LYS A 102 -16.807 0.591 7.125 1.00 1.82 H new ATOM 0 HG2 LYS A 102 -18.139 1.564 8.694 1.00 2.20 H new ATOM 0 HG3 LYS A 102 -16.934 0.893 9.776 1.00 2.20 H new ATOM 0 HD2 LYS A 102 -16.880 3.772 8.793 1.00 2.94 H new ATOM 0 HD3 LYS A 102 -17.666 3.269 10.276 1.00 2.94 H new ATOM 0 HE2 LYS A 102 -15.200 2.131 10.627 1.00 2.87 H new ATOM 0 HE3 LYS A 102 -14.763 3.520 9.652 1.00 2.87 H new ATOM 0 HZ1 LYS A 102 -14.789 3.763 12.166 1.00 3.83 H new ATOM 0 HZ2 LYS A 102 -15.521 4.990 11.247 1.00 3.83 H new ATOM 0 HZ3 LYS A 102 -16.480 3.829 12.031 1.00 3.83 H new ATOM 1525 N SER A 103 -13.540 0.486 6.129 1.00 0.86 N ATOM 1526 CA SER A 103 -12.954 -0.064 4.918 1.00 0.77 C ATOM 1527 C SER A 103 -11.750 0.793 4.535 1.00 0.70 C ATOM 1528 O SER A 103 -11.671 1.939 4.977 1.00 0.84 O ATOM 1529 CB SER A 103 -14.018 -0.055 3.814 1.00 0.87 C ATOM 1530 OG SER A 103 -14.654 1.205 3.735 1.00 1.38 O ATOM 0 H SER A 103 -13.292 1.461 6.294 1.00 0.86 H new ATOM 0 HA SER A 103 -12.619 -1.090 5.067 1.00 0.77 H new ATOM 0 HB2 SER A 103 -13.556 -0.294 2.856 1.00 0.87 H new ATOM 0 HB3 SER A 103 -14.759 -0.829 4.012 1.00 0.87 H new ATOM 0 HG SER A 103 -15.327 1.188 3.023 1.00 1.38 H new ATOM 1536 N VAL A 104 -10.809 0.260 3.745 1.00 0.59 N ATOM 1537 CA VAL A 104 -9.636 1.012 3.306 1.00 0.66 C ATOM 1538 C VAL A 104 -9.204 0.564 1.910 1.00 0.59 C ATOM 1539 O VAL A 104 -9.265 -0.626 1.596 1.00 0.57 O ATOM 1540 CB VAL A 104 -8.502 0.841 4.335 1.00 0.79 C ATOM 1541 CG1 VAL A 104 -7.164 1.369 3.811 1.00 1.61 C ATOM 1542 CG2 VAL A 104 -8.824 1.581 5.638 1.00 1.60 C ATOM 0 H VAL A 104 -10.842 -0.698 3.397 1.00 0.59 H new ATOM 0 HA VAL A 104 -9.885 2.071 3.243 1.00 0.66 H new ATOM 0 HB VAL A 104 -8.420 -0.230 4.518 1.00 0.79 H new ATOM 0 HG11 VAL A 104 -6.395 1.227 4.570 1.00 1.61 H new ATOM 0 HG12 VAL A 104 -6.887 0.825 2.908 1.00 1.61 H new ATOM 0 HG13 VAL A 104 -7.256 2.431 3.582 1.00 1.61 H new ATOM 0 HG21 VAL A 104 -8.007 1.443 6.346 1.00 1.60 H new ATOM 0 HG22 VAL A 104 -8.950 2.644 5.431 1.00 1.60 H new ATOM 0 HG23 VAL A 104 -9.745 1.183 6.065 1.00 1.60 H new ATOM 1552 N ALA A 105 -8.738 1.515 1.086 1.00 0.60 N ATOM 1553 CA ALA A 105 -8.156 1.224 -0.215 1.00 0.57 C ATOM 1554 C ALA A 105 -6.653 0.982 -0.069 1.00 0.53 C ATOM 1555 O ALA A 105 -5.858 1.917 0.033 1.00 0.55 O ATOM 1556 CB ALA A 105 -8.429 2.367 -1.192 1.00 0.67 C ATOM 0 H ALA A 105 -8.759 2.509 1.313 1.00 0.60 H new ATOM 0 HA ALA A 105 -8.618 0.322 -0.616 1.00 0.57 H new ATOM 0 HB1 ALA A 105 -7.986 2.132 -2.160 1.00 0.67 H new ATOM 0 HB2 ALA A 105 -9.505 2.498 -1.307 1.00 0.67 H new ATOM 0 HB3 ALA A 105 -7.991 3.288 -0.807 1.00 0.67 H new ATOM 1562 N ILE A 106 -6.265 -0.286 -0.102 1.00 0.59 N ATOM 1563 CA ILE A 106 -4.914 -0.787 0.051 1.00 0.61 C ATOM 1564 C ILE A 106 -4.506 -1.393 -1.300 1.00 0.65 C ATOM 1565 O ILE A 106 -5.104 -2.371 -1.742 1.00 0.86 O ATOM 1566 CB ILE A 106 -4.925 -1.774 1.241 1.00 0.81 C ATOM 1567 CG1 ILE A 106 -3.612 -2.538 1.427 1.00 1.75 C ATOM 1568 CG2 ILE A 106 -6.065 -2.808 1.173 1.00 1.34 C ATOM 1569 CD1 ILE A 106 -2.447 -1.653 1.869 1.00 2.96 C ATOM 0 H ILE A 106 -6.936 -1.040 -0.247 1.00 0.59 H new ATOM 0 HA ILE A 106 -4.169 -0.028 0.289 1.00 0.61 H new ATOM 0 HB ILE A 106 -5.080 -1.117 2.097 1.00 0.81 H new ATOM 0 HG12 ILE A 106 -3.761 -3.325 2.167 1.00 1.75 H new ATOM 0 HG13 ILE A 106 -3.350 -3.028 0.489 1.00 1.75 H new ATOM 0 HG21 ILE A 106 -6.011 -3.467 2.039 1.00 1.34 H new ATOM 0 HG22 ILE A 106 -7.025 -2.292 1.170 1.00 1.34 H new ATOM 0 HG23 ILE A 106 -5.967 -3.398 0.262 1.00 1.34 H new ATOM 0 HD11 ILE A 106 -1.550 -2.262 1.981 1.00 2.96 H new ATOM 0 HD12 ILE A 106 -2.271 -0.882 1.119 1.00 2.96 H new ATOM 0 HD13 ILE A 106 -2.688 -1.184 2.823 1.00 2.96 H new ATOM 1581 N PRO A 107 -3.541 -0.800 -2.017 1.00 0.59 N ATOM 1582 CA PRO A 107 -3.130 -1.318 -3.308 1.00 0.71 C ATOM 1583 C PRO A 107 -2.218 -2.526 -3.099 1.00 0.74 C ATOM 1584 O PRO A 107 -2.057 -3.027 -1.986 1.00 0.81 O ATOM 1585 CB PRO A 107 -2.403 -0.151 -3.980 1.00 0.76 C ATOM 1586 CG PRO A 107 -1.737 0.542 -2.797 1.00 0.70 C ATOM 1587 CD PRO A 107 -2.749 0.363 -1.660 1.00 0.62 C ATOM 0 HA PRO A 107 -3.959 -1.664 -3.926 1.00 0.71 H new ATOM 0 HB2 PRO A 107 -1.673 -0.495 -4.713 1.00 0.76 H new ATOM 0 HB3 PRO A 107 -3.093 0.511 -4.503 1.00 0.76 H new ATOM 0 HG2 PRO A 107 -0.777 0.087 -2.554 1.00 0.70 H new ATOM 0 HG3 PRO A 107 -1.548 1.595 -3.004 1.00 0.70 H new ATOM 0 HD2 PRO A 107 -2.243 0.214 -0.706 1.00 0.62 H new ATOM 0 HD3 PRO A 107 -3.378 1.247 -1.553 1.00 0.62 H new ATOM 1595 N LEU A 108 -1.579 -2.979 -4.174 1.00 0.84 N ATOM 1596 CA LEU A 108 -0.629 -4.065 -4.132 1.00 0.90 C ATOM 1597 C LEU A 108 0.719 -3.508 -4.545 1.00 0.97 C ATOM 1598 O LEU A 108 0.813 -2.680 -5.448 1.00 1.14 O ATOM 1599 CB LEU A 108 -1.101 -5.190 -5.053 1.00 1.11 C ATOM 1600 CG LEU A 108 -2.101 -6.103 -4.333 1.00 1.29 C ATOM 1601 CD1 LEU A 108 -2.861 -6.923 -5.374 1.00 1.81 C ATOM 1602 CD2 LEU A 108 -1.387 -7.026 -3.335 1.00 1.71 C ATOM 0 H LEU A 108 -1.715 -2.591 -5.107 1.00 0.84 H new ATOM 0 HA LEU A 108 -0.543 -4.490 -3.132 1.00 0.90 H new ATOM 0 HB2 LEU A 108 -1.565 -4.766 -5.943 1.00 1.11 H new ATOM 0 HB3 LEU A 108 -0.244 -5.775 -5.388 1.00 1.11 H new ATOM 0 HG LEU A 108 -2.802 -5.489 -3.767 1.00 1.29 H new ATOM 0 HD11 LEU A 108 -3.575 -7.576 -4.872 1.00 1.81 H new ATOM 0 HD12 LEU A 108 -3.394 -6.252 -6.047 1.00 1.81 H new ATOM 0 HD13 LEU A 108 -2.157 -7.527 -5.946 1.00 1.81 H new ATOM 0 HD21 LEU A 108 -2.120 -7.662 -2.839 1.00 1.71 H new ATOM 0 HD22 LEU A 108 -0.667 -7.648 -3.866 1.00 1.71 H new ATOM 0 HD23 LEU A 108 -0.867 -6.424 -2.590 1.00 1.71 H new ATOM 1614 N LEU A 109 1.747 -3.947 -3.829 1.00 1.07 N ATOM 1615 CA LEU A 109 3.110 -3.463 -3.900 1.00 1.16 C ATOM 1616 C LEU A 109 4.030 -4.676 -3.764 1.00 0.93 C ATOM 1617 O LEU A 109 3.553 -5.766 -3.458 1.00 0.90 O ATOM 1618 CB LEU A 109 3.331 -2.366 -2.833 1.00 1.59 C ATOM 1619 CG LEU A 109 2.751 -2.655 -1.427 1.00 1.19 C ATOM 1620 CD1 LEU A 109 3.537 -3.742 -0.691 1.00 2.45 C ATOM 1621 CD2 LEU A 109 2.756 -1.394 -0.554 1.00 1.38 C ATOM 0 H LEU A 109 1.639 -4.695 -3.144 1.00 1.07 H new ATOM 0 HA LEU A 109 3.336 -2.982 -4.852 1.00 1.16 H new ATOM 0 HB2 LEU A 109 4.403 -2.196 -2.733 1.00 1.59 H new ATOM 0 HB3 LEU A 109 2.894 -1.438 -3.200 1.00 1.59 H new ATOM 0 HG LEU A 109 1.729 -2.997 -1.590 1.00 1.19 H new ATOM 0 HD11 LEU A 109 3.093 -3.910 0.290 1.00 2.45 H new ATOM 0 HD12 LEU A 109 3.506 -4.667 -1.267 1.00 2.45 H new ATOM 0 HD13 LEU A 109 4.573 -3.424 -0.571 1.00 2.45 H new ATOM 0 HD21 LEU A 109 2.343 -1.629 0.427 1.00 1.38 H new ATOM 0 HD22 LEU A 109 3.779 -1.034 -0.440 1.00 1.38 H new ATOM 0 HD23 LEU A 109 2.150 -0.621 -1.027 1.00 1.38 H new ATOM 1633 N SER A 110 5.326 -4.487 -4.029 1.00 1.08 N ATOM 1634 CA SER A 110 6.338 -5.541 -4.053 1.00 1.04 C ATOM 1635 C SER A 110 6.297 -6.349 -5.349 1.00 1.18 C ATOM 1636 O SER A 110 6.499 -7.557 -5.328 1.00 1.46 O ATOM 1637 CB SER A 110 6.254 -6.453 -2.821 1.00 1.22 C ATOM 1638 OG SER A 110 6.197 -5.666 -1.649 1.00 1.71 O ATOM 0 H SER A 110 5.709 -3.565 -4.239 1.00 1.08 H new ATOM 0 HA SER A 110 7.305 -5.039 -4.016 1.00 1.04 H new ATOM 0 HB2 SER A 110 5.371 -7.089 -2.887 1.00 1.22 H new ATOM 0 HB3 SER A 110 7.121 -7.113 -2.786 1.00 1.22 H new ATOM 0 HG SER A 110 6.142 -6.251 -0.865 1.00 1.71 H new ATOM 1644 N THR A 111 6.123 -5.698 -6.500 1.00 1.25 N ATOM 1645 CA THR A 111 5.989 -6.404 -7.766 1.00 1.51 C ATOM 1646 C THR A 111 6.704 -5.660 -8.888 1.00 1.70 C ATOM 1647 O THR A 111 6.302 -4.564 -9.259 1.00 2.39 O ATOM 1648 CB THR A 111 4.500 -6.549 -8.079 1.00 1.65 C ATOM 1649 OG1 THR A 111 3.768 -5.442 -7.584 1.00 2.14 O ATOM 1650 CG2 THR A 111 3.962 -7.810 -7.418 1.00 1.44 C ATOM 0 H THR A 111 6.072 -4.682 -6.577 1.00 1.25 H new ATOM 0 HA THR A 111 6.452 -7.388 -7.686 1.00 1.51 H new ATOM 0 HB THR A 111 4.386 -6.601 -9.162 1.00 1.65 H new ATOM 0 HG1 THR A 111 3.018 -5.251 -8.185 1.00 2.14 H new ATOM 0 HG21 THR A 111 2.900 -7.913 -7.641 1.00 1.44 H new ATOM 0 HG22 THR A 111 4.499 -8.678 -7.800 1.00 1.44 H new ATOM 0 HG23 THR A 111 4.101 -7.743 -6.339 1.00 1.44 H new ATOM 1658 N GLY A 112 7.779 -6.248 -9.426 1.00 2.35 N ATOM 1659 CA GLY A 112 8.520 -5.663 -10.541 1.00 2.64 C ATOM 1660 C GLY A 112 9.031 -4.256 -10.232 1.00 1.83 C ATOM 1661 O GLY A 112 9.185 -3.442 -11.136 1.00 2.36 O ATOM 0 H GLY A 112 8.155 -7.138 -9.100 1.00 2.35 H new ATOM 0 HA2 GLY A 112 9.364 -6.306 -10.789 1.00 2.64 H new ATOM 0 HA3 GLY A 112 7.878 -5.627 -11.421 1.00 2.64 H new ATOM 1665 N ILE A 113 9.301 -3.973 -8.955 1.00 1.50 N ATOM 1666 CA ILE A 113 9.732 -2.659 -8.500 1.00 0.93 C ATOM 1667 C ILE A 113 10.570 -2.827 -7.232 1.00 0.88 C ATOM 1668 O ILE A 113 11.711 -2.378 -7.183 1.00 1.32 O ATOM 1669 CB ILE A 113 8.505 -1.730 -8.338 1.00 1.67 C ATOM 1670 CG1 ILE A 113 8.916 -0.286 -8.010 1.00 1.43 C ATOM 1671 CG2 ILE A 113 7.498 -2.205 -7.279 1.00 3.04 C ATOM 1672 CD1 ILE A 113 9.354 0.489 -9.253 1.00 2.22 C ATOM 0 H ILE A 113 9.224 -4.660 -8.205 1.00 1.50 H new ATOM 0 HA ILE A 113 10.372 -2.171 -9.235 1.00 0.93 H new ATOM 0 HB ILE A 113 8.012 -1.767 -9.309 1.00 1.67 H new ATOM 0 HG12 ILE A 113 8.079 0.230 -7.539 1.00 1.43 H new ATOM 0 HG13 ILE A 113 9.731 -0.298 -7.286 1.00 1.43 H new ATOM 0 HG21 ILE A 113 6.667 -1.501 -7.225 1.00 3.04 H new ATOM 0 HG22 ILE A 113 7.121 -3.191 -7.551 1.00 3.04 H new ATOM 0 HG23 ILE A 113 7.990 -2.260 -6.308 1.00 3.04 H new ATOM 0 HD11 ILE A 113 9.635 1.503 -8.969 1.00 2.22 H new ATOM 0 HD12 ILE A 113 10.209 -0.009 -9.710 1.00 2.22 H new ATOM 0 HD13 ILE A 113 8.531 0.526 -9.967 1.00 2.22 H new ATOM 1684 N PHE A 114 10.030 -3.512 -6.218 1.00 0.65 N ATOM 1685 CA PHE A 114 10.679 -3.669 -4.923 1.00 0.62 C ATOM 1686 C PHE A 114 11.083 -5.127 -4.699 1.00 0.63 C ATOM 1687 O PHE A 114 12.206 -5.387 -4.278 1.00 0.74 O ATOM 1688 CB PHE A 114 9.782 -3.137 -3.796 1.00 0.78 C ATOM 1689 CG PHE A 114 9.266 -1.721 -3.976 1.00 0.87 C ATOM 1690 CD1 PHE A 114 10.088 -0.719 -4.527 1.00 2.17 C ATOM 1691 CD2 PHE A 114 7.945 -1.406 -3.610 1.00 1.52 C ATOM 1692 CE1 PHE A 114 9.592 0.580 -4.722 1.00 2.37 C ATOM 1693 CE2 PHE A 114 7.442 -0.113 -3.836 1.00 1.63 C ATOM 1694 CZ PHE A 114 8.262 0.883 -4.388 1.00 1.41 C ATOM 0 H PHE A 114 9.123 -3.975 -6.279 1.00 0.65 H new ATOM 0 HA PHE A 114 11.592 -3.074 -4.913 1.00 0.62 H new ATOM 0 HB2 PHE A 114 8.927 -3.805 -3.692 1.00 0.78 H new ATOM 0 HB3 PHE A 114 10.339 -3.184 -2.860 1.00 0.78 H new ATOM 0 HD1 PHE A 114 11.106 -0.951 -4.801 1.00 2.17 H new ATOM 0 HD2 PHE A 114 7.317 -2.158 -3.155 1.00 1.52 H new ATOM 0 HE1 PHE A 114 10.234 1.347 -5.129 1.00 2.37 H new ATOM 0 HE2 PHE A 114 6.417 0.115 -3.583 1.00 1.63 H new ATOM 0 HZ PHE A 114 7.873 1.876 -4.555 1.00 1.41 H new ATOM 1704 N SER A 115 10.186 -6.084 -4.983 1.00 0.69 N ATOM 1705 CA SER A 115 10.472 -7.515 -4.865 1.00 0.88 C ATOM 1706 C SER A 115 11.780 -7.875 -5.574 1.00 0.89 C ATOM 1707 O SER A 115 12.628 -8.571 -5.020 1.00 1.10 O ATOM 1708 CB SER A 115 9.294 -8.370 -5.369 1.00 1.05 C ATOM 1709 OG SER A 115 9.717 -9.673 -5.718 1.00 2.03 O ATOM 0 H SER A 115 9.239 -5.882 -5.302 1.00 0.69 H new ATOM 0 HA SER A 115 10.600 -7.742 -3.807 1.00 0.88 H new ATOM 0 HB2 SER A 115 8.528 -8.429 -4.596 1.00 1.05 H new ATOM 0 HB3 SER A 115 8.837 -7.890 -6.234 1.00 1.05 H new ATOM 0 HG SER A 115 8.936 -10.223 -5.937 1.00 2.03 H new ATOM 1715 N GLY A 116 11.955 -7.412 -6.811 1.00 0.93 N ATOM 1716 CA GLY A 116 13.074 -7.845 -7.628 1.00 1.16 C ATOM 1717 C GLY A 116 12.705 -9.141 -8.329 1.00 1.36 C ATOM 1718 O GLY A 116 12.543 -9.165 -9.551 1.00 1.90 O ATOM 0 H GLY A 116 11.335 -6.740 -7.263 1.00 0.93 H new ATOM 0 HA2 GLY A 116 13.323 -7.078 -8.362 1.00 1.16 H new ATOM 0 HA3 GLY A 116 13.958 -7.992 -7.008 1.00 1.16 H new ATOM 1722 N ASN A 117 12.557 -10.233 -7.575 1.00 1.76 N ATOM 1723 CA ASN A 117 12.103 -11.472 -8.176 1.00 2.05 C ATOM 1724 C ASN A 117 11.492 -12.418 -7.153 1.00 2.23 C ATOM 1725 O ASN A 117 11.671 -12.237 -5.953 1.00 3.23 O ATOM 1726 CB ASN A 117 13.255 -12.152 -8.925 1.00 2.77 C ATOM 1727 CG ASN A 117 12.738 -12.611 -10.272 1.00 2.95 C ATOM 1728 OD1 ASN A 117 12.415 -13.778 -10.456 1.00 3.43 O ATOM 1729 ND2 ASN A 117 12.567 -11.670 -11.190 1.00 3.30 N ATOM 0 H ASN A 117 12.742 -10.278 -6.573 1.00 1.76 H new ATOM 0 HA ASN A 117 11.315 -11.222 -8.887 1.00 2.05 H new ATOM 0 HB2 ASN A 117 14.087 -11.459 -9.053 1.00 2.77 H new ATOM 0 HB3 ASN A 117 13.632 -13.000 -8.353 1.00 2.77 H new ATOM 0 HD21 ASN A 117 12.152 -11.906 -12.091 1.00 3.30 H new ATOM 0 HD22 ASN A 117 12.850 -10.710 -10.995 1.00 3.30 H new ATOM 1736 N LYS A 118 10.810 -13.454 -7.655 1.00 2.31 N ATOM 1737 CA LYS A 118 9.880 -14.283 -6.890 1.00 2.47 C ATOM 1738 C LYS A 118 8.762 -13.424 -6.280 1.00 2.03 C ATOM 1739 O LYS A 118 8.621 -12.252 -6.625 1.00 2.37 O ATOM 1740 CB LYS A 118 10.629 -15.159 -5.866 1.00 3.18 C ATOM 1741 CG LYS A 118 11.664 -16.078 -6.538 1.00 3.45 C ATOM 1742 CD LYS A 118 13.128 -15.666 -6.304 1.00 3.74 C ATOM 1743 CE LYS A 118 13.910 -16.796 -5.620 1.00 4.67 C ATOM 1744 NZ LYS A 118 14.046 -17.990 -6.484 1.00 4.94 N ATOM 0 H LYS A 118 10.894 -13.744 -8.629 1.00 2.31 H new ATOM 0 HA LYS A 118 9.386 -14.982 -7.564 1.00 2.47 H new ATOM 0 HB2 LYS A 118 11.130 -14.519 -5.140 1.00 3.18 H new ATOM 0 HB3 LYS A 118 9.911 -15.765 -5.314 1.00 3.18 H new ATOM 0 HG2 LYS A 118 11.522 -17.094 -6.170 1.00 3.45 H new ATOM 0 HG3 LYS A 118 11.472 -16.098 -7.611 1.00 3.45 H new ATOM 0 HD2 LYS A 118 13.597 -15.418 -7.256 1.00 3.74 H new ATOM 0 HD3 LYS A 118 13.164 -14.768 -5.687 1.00 3.74 H new ATOM 0 HE2 LYS A 118 14.901 -16.434 -5.346 1.00 4.67 H new ATOM 0 HE3 LYS A 118 13.405 -17.075 -4.695 1.00 4.67 H new ATOM 0 HZ1 LYS A 118 14.756 -18.633 -6.079 1.00 4.94 H new ATOM 0 HZ2 LYS A 118 13.131 -18.480 -6.546 1.00 4.94 H new ATOM 0 HZ3 LYS A 118 14.347 -17.697 -7.436 1.00 4.94 H new ATOM 1758 N ASP A 119 7.939 -14.052 -5.437 1.00 2.41 N ATOM 1759 CA ASP A 119 6.896 -13.477 -4.595 1.00 2.06 C ATOM 1760 C ASP A 119 5.955 -12.541 -5.351 1.00 1.44 C ATOM 1761 O ASP A 119 6.208 -11.344 -5.473 1.00 1.99 O ATOM 1762 CB ASP A 119 7.520 -12.835 -3.348 1.00 2.56 C ATOM 1763 CG ASP A 119 8.546 -13.755 -2.681 1.00 3.73 C ATOM 1764 OD1 ASP A 119 8.429 -14.990 -2.878 1.00 5.02 O ATOM 1765 OD2 ASP A 119 9.451 -13.216 -2.015 1.00 4.16 O ATOM 0 H ASP A 119 7.993 -15.064 -5.318 1.00 2.41 H new ATOM 0 HA ASP A 119 6.250 -14.290 -4.263 1.00 2.06 H new ATOM 0 HB2 ASP A 119 8.001 -11.897 -3.625 1.00 2.56 H new ATOM 0 HB3 ASP A 119 6.734 -12.591 -2.634 1.00 2.56 H new ATOM 1770 N ARG A 120 4.844 -13.079 -5.873 1.00 1.34 N ATOM 1771 CA ARG A 120 3.948 -12.281 -6.712 1.00 1.18 C ATOM 1772 C ARG A 120 2.729 -11.821 -5.930 1.00 1.18 C ATOM 1773 O ARG A 120 2.731 -11.746 -4.700 1.00 1.07 O ATOM 1774 CB ARG A 120 3.553 -13.004 -8.012 1.00 1.78 C ATOM 1775 CG ARG A 120 4.700 -13.819 -8.617 1.00 2.02 C ATOM 1776 CD ARG A 120 4.592 -13.829 -10.144 1.00 2.75 C ATOM 1777 NE ARG A 120 5.768 -14.470 -10.748 1.00 3.23 N ATOM 1778 CZ ARG A 120 5.909 -15.772 -11.027 1.00 3.80 C ATOM 1779 NH1 ARG A 120 7.058 -16.219 -11.534 1.00 4.46 N ATOM 1780 NH2 ARG A 120 4.908 -16.624 -10.798 1.00 4.40 N ATOM 0 H ARG A 120 4.550 -14.045 -5.731 1.00 1.34 H new ATOM 0 HA ARG A 120 4.505 -11.394 -7.015 1.00 1.18 H new ATOM 0 HB2 ARG A 120 2.711 -13.666 -7.811 1.00 1.78 H new ATOM 0 HB3 ARG A 120 3.213 -12.269 -8.741 1.00 1.78 H new ATOM 0 HG2 ARG A 120 5.657 -13.393 -8.315 1.00 2.02 H new ATOM 0 HG3 ARG A 120 4.671 -14.840 -8.236 1.00 2.02 H new ATOM 0 HD2 ARG A 120 3.689 -14.359 -10.445 1.00 2.75 H new ATOM 0 HD3 ARG A 120 4.500 -12.807 -10.513 1.00 2.75 H new ATOM 0 HE ARG A 120 6.555 -13.863 -10.978 1.00 3.23 H new ATOM 0 HH11 ARG A 120 7.825 -15.570 -11.708 1.00 4.46 H new ATOM 0 HH12 ARG A 120 7.170 -17.210 -11.748 1.00 4.46 H new ATOM 0 HH21 ARG A 120 4.029 -16.285 -10.408 1.00 4.40 H new ATOM 0 HH22 ARG A 120 5.022 -17.615 -11.013 1.00 4.40 H new ATOM 1794 N LEU A 121 1.655 -11.509 -6.655 1.00 1.28 N ATOM 1795 CA LEU A 121 0.485 -10.911 -6.060 1.00 1.27 C ATOM 1796 C LEU A 121 -0.230 -11.935 -5.236 1.00 1.22 C ATOM 1797 O LEU A 121 -0.611 -11.620 -4.133 1.00 1.15 O ATOM 1798 CB LEU A 121 -0.494 -10.367 -7.093 1.00 1.46 C ATOM 1799 CG LEU A 121 -0.014 -9.131 -7.855 1.00 1.38 C ATOM 1800 CD1 LEU A 121 0.532 -8.091 -6.876 1.00 3.44 C ATOM 1801 CD2 LEU A 121 0.997 -9.455 -8.956 1.00 1.87 C ATOM 0 H LEU A 121 1.582 -11.666 -7.660 1.00 1.28 H new ATOM 0 HA LEU A 121 0.833 -10.076 -5.452 1.00 1.27 H new ATOM 0 HB2 LEU A 121 -0.714 -11.156 -7.813 1.00 1.46 H new ATOM 0 HB3 LEU A 121 -1.430 -10.124 -6.591 1.00 1.46 H new ATOM 0 HG LEU A 121 -0.879 -8.713 -8.369 1.00 1.38 H new ATOM 0 HD11 LEU A 121 0.871 -7.215 -7.428 1.00 3.44 H new ATOM 0 HD12 LEU A 121 -0.254 -7.799 -6.179 1.00 3.44 H new ATOM 0 HD13 LEU A 121 1.368 -8.517 -6.322 1.00 3.44 H new ATOM 0 HD21 LEU A 121 1.297 -8.535 -9.457 1.00 1.87 H new ATOM 0 HD22 LEU A 121 1.874 -9.931 -8.516 1.00 1.87 H new ATOM 0 HD23 LEU A 121 0.542 -10.131 -9.680 1.00 1.87 H new ATOM 1813 N THR A 122 -0.386 -13.159 -5.722 1.00 1.27 N ATOM 1814 CA THR A 122 -1.002 -14.221 -4.954 1.00 1.23 C ATOM 1815 C THR A 122 -0.359 -14.351 -3.574 1.00 1.16 C ATOM 1816 O THR A 122 -1.039 -14.705 -2.619 1.00 1.11 O ATOM 1817 CB THR A 122 -0.879 -15.482 -5.812 1.00 1.36 C ATOM 1818 OG1 THR A 122 -1.843 -15.420 -6.842 1.00 1.68 O ATOM 1819 CG2 THR A 122 -1.060 -16.787 -5.042 1.00 1.29 C ATOM 0 H THR A 122 -0.089 -13.438 -6.657 1.00 1.27 H new ATOM 0 HA THR A 122 -2.052 -14.022 -4.741 1.00 1.23 H new ATOM 0 HB THR A 122 0.139 -15.497 -6.200 1.00 1.36 H new ATOM 0 HG1 THR A 122 -1.775 -16.221 -7.402 1.00 1.68 H new ATOM 0 HG21 THR A 122 -0.957 -17.630 -5.725 1.00 1.29 H new ATOM 0 HG22 THR A 122 -0.302 -16.858 -4.262 1.00 1.29 H new ATOM 0 HG23 THR A 122 -2.051 -16.807 -4.588 1.00 1.29 H new ATOM 1827 N GLN A 123 0.928 -14.026 -3.446 1.00 1.15 N ATOM 1828 CA GLN A 123 1.603 -14.086 -2.166 1.00 1.08 C ATOM 1829 C GLN A 123 1.266 -12.839 -1.368 1.00 1.02 C ATOM 1830 O GLN A 123 0.817 -12.910 -0.227 1.00 0.93 O ATOM 1831 CB GLN A 123 3.116 -14.211 -2.394 1.00 1.13 C ATOM 1832 CG GLN A 123 3.635 -15.484 -1.731 1.00 1.43 C ATOM 1833 CD GLN A 123 5.013 -15.825 -2.277 1.00 1.19 C ATOM 1834 OE1 GLN A 123 5.129 -16.213 -3.436 1.00 2.22 O ATOM 1835 NE2 GLN A 123 6.061 -15.653 -1.484 1.00 1.74 N ATOM 0 H GLN A 123 1.518 -13.719 -4.220 1.00 1.15 H new ATOM 0 HA GLN A 123 1.271 -14.957 -1.601 1.00 1.08 H new ATOM 0 HB2 GLN A 123 3.332 -14.232 -3.462 1.00 1.13 H new ATOM 0 HB3 GLN A 123 3.628 -13.341 -1.983 1.00 1.13 H new ATOM 0 HG2 GLN A 123 3.685 -15.348 -0.651 1.00 1.43 H new ATOM 0 HG3 GLN A 123 2.946 -16.308 -1.916 1.00 1.43 H new ATOM 0 HE21 GLN A 123 5.928 -15.329 -0.526 1.00 1.74 H new ATOM 0 HE22 GLN A 123 7.001 -15.844 -1.832 1.00 1.74 H new ATOM 1844 N SER A 124 1.466 -11.677 -1.982 1.00 1.09 N ATOM 1845 CA SER A 124 1.358 -10.408 -1.287 1.00 1.04 C ATOM 1846 C SER A 124 -0.055 -10.198 -0.753 1.00 0.89 C ATOM 1847 O SER A 124 -0.222 -9.698 0.356 1.00 0.83 O ATOM 1848 CB SER A 124 1.800 -9.278 -2.217 1.00 1.19 C ATOM 1849 OG SER A 124 3.115 -9.525 -2.677 1.00 1.99 O ATOM 0 H SER A 124 1.706 -11.593 -2.970 1.00 1.09 H new ATOM 0 HA SER A 124 2.020 -10.411 -0.421 1.00 1.04 H new ATOM 0 HB2 SER A 124 1.117 -9.202 -3.063 1.00 1.19 H new ATOM 0 HB3 SER A 124 1.762 -8.325 -1.690 1.00 1.19 H new ATOM 0 HG SER A 124 3.095 -10.219 -3.369 1.00 1.99 H new ATOM 1855 N LEU A 125 -1.052 -10.623 -1.531 1.00 0.89 N ATOM 1856 CA LEU A 125 -2.468 -10.656 -1.215 1.00 0.85 C ATOM 1857 C LEU A 125 -2.721 -11.675 -0.131 1.00 0.85 C ATOM 1858 O LEU A 125 -3.518 -11.425 0.755 1.00 0.85 O ATOM 1859 CB LEU A 125 -3.279 -10.940 -2.499 1.00 0.89 C ATOM 1860 CG LEU A 125 -4.618 -11.691 -2.407 1.00 1.18 C ATOM 1861 CD1 LEU A 125 -4.477 -13.198 -2.150 1.00 1.03 C ATOM 1862 CD2 LEU A 125 -5.592 -11.043 -1.429 1.00 2.26 C ATOM 0 H LEU A 125 -0.869 -10.979 -2.469 1.00 0.89 H new ATOM 0 HA LEU A 125 -2.795 -9.689 -0.833 1.00 0.85 H new ATOM 0 HB2 LEU A 125 -3.476 -9.981 -2.978 1.00 0.89 H new ATOM 0 HB3 LEU A 125 -2.635 -11.505 -3.172 1.00 0.89 H new ATOM 0 HG LEU A 125 -5.049 -11.600 -3.404 1.00 1.18 H new ATOM 0 HD11 LEU A 125 -5.466 -13.653 -2.099 1.00 1.03 H new ATOM 0 HD12 LEU A 125 -3.910 -13.654 -2.961 1.00 1.03 H new ATOM 0 HD13 LEU A 125 -3.955 -13.359 -1.207 1.00 1.03 H new ATOM 0 HD21 LEU A 125 -6.519 -11.616 -1.406 1.00 2.26 H new ATOM 0 HD22 LEU A 125 -5.150 -11.027 -0.433 1.00 2.26 H new ATOM 0 HD23 LEU A 125 -5.804 -10.023 -1.749 1.00 2.26 H new ATOM 1874 N ASN A 126 -2.042 -12.812 -0.149 1.00 0.87 N ATOM 1875 CA ASN A 126 -2.221 -13.789 0.917 1.00 0.85 C ATOM 1876 C ASN A 126 -1.923 -13.134 2.251 1.00 0.82 C ATOM 1877 O ASN A 126 -2.684 -13.240 3.206 1.00 0.82 O ATOM 1878 CB ASN A 126 -1.325 -15.022 0.744 1.00 0.85 C ATOM 1879 CG ASN A 126 -2.116 -16.280 1.083 1.00 1.06 C ATOM 1880 OD1 ASN A 126 -3.099 -16.602 0.426 1.00 1.65 O ATOM 1881 ND2 ASN A 126 -1.732 -17.000 2.127 1.00 2.02 N ATOM 0 H ASN A 126 -1.375 -13.079 -0.873 1.00 0.87 H new ATOM 0 HA ASN A 126 -3.255 -14.131 0.876 1.00 0.85 H new ATOM 0 HB2 ASN A 126 -0.958 -15.076 -0.281 1.00 0.85 H new ATOM 0 HB3 ASN A 126 -0.452 -14.943 1.392 1.00 0.85 H new ATOM 0 HD21 ASN A 126 -2.257 -17.834 2.392 1.00 2.02 H new ATOM 0 HD22 ASN A 126 -0.912 -16.721 2.665 1.00 2.02 H new ATOM 1888 N HIS A 127 -0.800 -12.432 2.298 1.00 0.83 N ATOM 1889 CA HIS A 127 -0.340 -11.794 3.511 1.00 0.81 C ATOM 1890 C HIS A 127 -1.220 -10.585 3.804 1.00 0.79 C ATOM 1891 O HIS A 127 -1.448 -10.259 4.962 1.00 0.77 O ATOM 1892 CB HIS A 127 1.138 -11.421 3.357 1.00 0.89 C ATOM 1893 CG HIS A 127 2.023 -12.597 3.040 1.00 1.02 C ATOM 1894 ND1 HIS A 127 2.162 -13.756 3.772 1.00 1.34 N ATOM 1895 CD2 HIS A 127 2.819 -12.704 1.935 1.00 0.92 C ATOM 1896 CE1 HIS A 127 3.027 -14.544 3.105 1.00 1.42 C ATOM 1897 NE2 HIS A 127 3.447 -13.952 1.976 1.00 1.15 N ATOM 0 H HIS A 127 -0.187 -12.292 1.495 1.00 0.83 H new ATOM 0 HA HIS A 127 -0.418 -12.472 4.361 1.00 0.81 H new ATOM 0 HB2 HIS A 127 1.237 -10.678 2.566 1.00 0.89 H new ATOM 0 HB3 HIS A 127 1.485 -10.953 4.278 1.00 0.89 H new ATOM 0 HD2 HIS A 127 2.941 -11.956 1.165 1.00 0.92 H new ATOM 0 HE1 HIS A 127 3.341 -15.523 3.435 1.00 1.42 H new ATOM 0 HE2 HIS A 127 4.094 -14.335 1.287 1.00 1.15 H new ATOM 1905 N LEU A 128 -1.730 -9.918 2.765 1.00 0.81 N ATOM 1906 CA LEU A 128 -2.506 -8.700 2.922 1.00 0.80 C ATOM 1907 C LEU A 128 -3.830 -9.022 3.577 1.00 0.73 C ATOM 1908 O LEU A 128 -4.247 -8.367 4.522 1.00 0.72 O ATOM 1909 CB LEU A 128 -2.755 -8.055 1.549 1.00 0.87 C ATOM 1910 CG LEU A 128 -3.217 -6.606 1.697 1.00 0.80 C ATOM 1911 CD1 LEU A 128 -1.977 -5.719 1.792 1.00 1.79 C ATOM 1912 CD2 LEU A 128 -4.092 -6.217 0.506 1.00 1.07 C ATOM 0 H LEU A 128 -1.613 -10.212 1.795 1.00 0.81 H new ATOM 0 HA LEU A 128 -1.950 -8.003 3.549 1.00 0.80 H new ATOM 0 HB2 LEU A 128 -1.841 -8.090 0.956 1.00 0.87 H new ATOM 0 HB3 LEU A 128 -3.508 -8.626 1.007 1.00 0.87 H new ATOM 0 HG LEU A 128 -3.817 -6.481 2.599 1.00 0.80 H new ATOM 0 HD11 LEU A 128 -2.282 -4.678 1.898 1.00 1.79 H new ATOM 0 HD12 LEU A 128 -1.384 -6.014 2.658 1.00 1.79 H new ATOM 0 HD13 LEU A 128 -1.379 -5.831 0.888 1.00 1.79 H new ATOM 0 HD21 LEU A 128 -4.419 -5.183 0.617 1.00 1.07 H new ATOM 0 HD22 LEU A 128 -3.519 -6.320 -0.415 1.00 1.07 H new ATOM 0 HD23 LEU A 128 -4.964 -6.870 0.466 1.00 1.07 H new ATOM 1924 N LEU A 129 -4.486 -10.053 3.063 1.00 0.74 N ATOM 1925 CA LEU A 129 -5.754 -10.543 3.556 1.00 0.80 C ATOM 1926 C LEU A 129 -5.528 -11.216 4.892 1.00 0.79 C ATOM 1927 O LEU A 129 -6.427 -11.219 5.709 1.00 0.81 O ATOM 1928 CB LEU A 129 -6.413 -11.460 2.510 1.00 0.94 C ATOM 1929 CG LEU A 129 -6.385 -12.972 2.808 1.00 2.11 C ATOM 1930 CD1 LEU A 129 -7.541 -13.396 3.726 1.00 2.83 C ATOM 1931 CD2 LEU A 129 -6.498 -13.774 1.511 1.00 3.73 C ATOM 0 H LEU A 129 -4.134 -10.584 2.266 1.00 0.74 H new ATOM 0 HA LEU A 129 -6.453 -9.723 3.717 1.00 0.80 H new ATOM 0 HB2 LEU A 129 -7.453 -11.154 2.394 1.00 0.94 H new ATOM 0 HB3 LEU A 129 -5.923 -11.292 1.551 1.00 0.94 H new ATOM 0 HG LEU A 129 -5.437 -13.174 3.306 1.00 2.11 H new ATOM 0 HD11 LEU A 129 -7.484 -14.469 3.911 1.00 2.83 H new ATOM 0 HD12 LEU A 129 -7.469 -12.860 4.673 1.00 2.83 H new ATOM 0 HD13 LEU A 129 -8.491 -13.160 3.247 1.00 2.83 H new ATOM 0 HD21 LEU A 129 -6.477 -14.840 1.739 1.00 3.73 H new ATOM 0 HD22 LEU A 129 -7.435 -13.528 1.012 1.00 3.73 H new ATOM 0 HD23 LEU A 129 -5.663 -13.526 0.856 1.00 3.73 H new ATOM 1943 N THR A 130 -4.343 -11.759 5.159 1.00 0.79 N ATOM 1944 CA THR A 130 -4.099 -12.320 6.481 1.00 0.82 C ATOM 1945 C THR A 130 -4.014 -11.180 7.489 1.00 0.78 C ATOM 1946 O THR A 130 -4.549 -11.271 8.592 1.00 0.78 O ATOM 1947 CB THR A 130 -2.851 -13.210 6.455 1.00 0.93 C ATOM 1948 OG1 THR A 130 -3.145 -14.367 5.705 1.00 1.03 O ATOM 1949 CG2 THR A 130 -2.407 -13.670 7.842 1.00 0.94 C ATOM 0 H THR A 130 -3.564 -11.821 4.504 1.00 0.79 H new ATOM 0 HA THR A 130 -4.921 -12.967 6.789 1.00 0.82 H new ATOM 0 HB THR A 130 -2.046 -12.615 6.023 1.00 0.93 H new ATOM 0 HG1 THR A 130 -3.039 -14.174 4.750 1.00 1.03 H new ATOM 0 HG21 THR A 130 -1.519 -14.296 7.751 1.00 0.94 H new ATOM 0 HG22 THR A 130 -2.176 -12.800 8.457 1.00 0.94 H new ATOM 0 HG23 THR A 130 -3.208 -14.243 8.309 1.00 0.94 H new ATOM 1957 N ALA A 131 -3.381 -10.075 7.104 1.00 0.81 N ATOM 1958 CA ALA A 131 -3.265 -8.940 8.002 1.00 0.84 C ATOM 1959 C ALA A 131 -4.634 -8.301 8.212 1.00 0.81 C ATOM 1960 O ALA A 131 -4.990 -7.925 9.325 1.00 0.84 O ATOM 1961 CB ALA A 131 -2.244 -7.943 7.446 1.00 0.92 C ATOM 0 H ALA A 131 -2.948 -9.946 6.190 1.00 0.81 H new ATOM 0 HA ALA A 131 -2.906 -9.273 8.976 1.00 0.84 H new ATOM 0 HB1 ALA A 131 -2.160 -7.093 8.123 1.00 0.92 H new ATOM 0 HB2 ALA A 131 -1.273 -8.430 7.353 1.00 0.92 H new ATOM 0 HB3 ALA A 131 -2.571 -7.596 6.466 1.00 0.92 H new ATOM 1967 N LEU A 132 -5.410 -8.192 7.135 1.00 0.78 N ATOM 1968 CA LEU A 132 -6.716 -7.550 7.159 1.00 0.79 C ATOM 1969 C LEU A 132 -7.810 -8.534 7.561 1.00 0.81 C ATOM 1970 O LEU A 132 -8.938 -8.123 7.777 1.00 0.89 O ATOM 1971 CB LEU A 132 -7.005 -6.898 5.798 1.00 0.83 C ATOM 1972 CG LEU A 132 -6.164 -5.620 5.634 1.00 1.43 C ATOM 1973 CD1 LEU A 132 -5.980 -5.240 4.167 1.00 1.95 C ATOM 1974 CD2 LEU A 132 -6.829 -4.436 6.348 1.00 1.92 C ATOM 0 H LEU A 132 -5.145 -8.550 6.217 1.00 0.78 H new ATOM 0 HA LEU A 132 -6.707 -6.766 7.916 1.00 0.79 H new ATOM 0 HB2 LEU A 132 -6.776 -7.598 4.995 1.00 0.83 H new ATOM 0 HB3 LEU A 132 -8.065 -6.657 5.719 1.00 0.83 H new ATOM 0 HG LEU A 132 -5.191 -5.835 6.075 1.00 1.43 H new ATOM 0 HD11 LEU A 132 -5.380 -4.332 4.099 1.00 1.95 H new ATOM 0 HD12 LEU A 132 -5.473 -6.050 3.642 1.00 1.95 H new ATOM 0 HD13 LEU A 132 -6.955 -5.066 3.711 1.00 1.95 H new ATOM 0 HD21 LEU A 132 -6.217 -3.543 6.219 1.00 1.92 H new ATOM 0 HD22 LEU A 132 -7.818 -4.263 5.923 1.00 1.92 H new ATOM 0 HD23 LEU A 132 -6.925 -4.659 7.411 1.00 1.92 H new ATOM 1986 N ASP A 133 -7.507 -9.821 7.707 1.00 0.79 N ATOM 1987 CA ASP A 133 -8.440 -10.776 8.304 1.00 0.78 C ATOM 1988 C ASP A 133 -8.509 -10.508 9.801 1.00 0.74 C ATOM 1989 O ASP A 133 -9.568 -10.599 10.416 1.00 0.74 O ATOM 1990 CB ASP A 133 -7.994 -12.216 8.024 1.00 0.87 C ATOM 1991 CG ASP A 133 -8.798 -13.230 8.834 1.00 1.44 C ATOM 1992 OD1 ASP A 133 -9.932 -13.532 8.400 1.00 2.01 O ATOM 1993 OD2 ASP A 133 -8.250 -13.712 9.850 1.00 2.74 O ATOM 0 H ASP A 133 -6.618 -10.230 7.419 1.00 0.79 H new ATOM 0 HA ASP A 133 -9.430 -10.653 7.864 1.00 0.78 H new ATOM 0 HB2 ASP A 133 -8.106 -12.430 6.961 1.00 0.87 H new ATOM 0 HB3 ASP A 133 -6.935 -12.320 8.261 1.00 0.87 H new ATOM 1998 N THR A 134 -7.375 -10.104 10.375 1.00 0.84 N ATOM 1999 CA THR A 134 -7.268 -9.738 11.773 1.00 0.93 C ATOM 2000 C THR A 134 -8.123 -8.503 12.121 1.00 0.91 C ATOM 2001 O THR A 134 -8.288 -8.205 13.304 1.00 1.02 O ATOM 2002 CB THR A 134 -5.770 -9.646 12.129 1.00 1.19 C ATOM 2003 OG1 THR A 134 -5.455 -10.597 13.123 1.00 1.66 O ATOM 2004 CG2 THR A 134 -5.300 -8.274 12.592 1.00 1.51 C ATOM 0 H THR A 134 -6.495 -10.023 9.866 1.00 0.84 H new ATOM 0 HA THR A 134 -7.701 -10.506 12.415 1.00 0.93 H new ATOM 0 HB THR A 134 -5.243 -9.847 11.196 1.00 1.19 H new ATOM 0 HG1 THR A 134 -4.502 -10.536 13.344 1.00 1.66 H new ATOM 0 HG21 THR A 134 -4.234 -8.312 12.818 1.00 1.51 H new ATOM 0 HG22 THR A 134 -5.478 -7.543 11.803 1.00 1.51 H new ATOM 0 HG23 THR A 134 -5.851 -7.983 13.487 1.00 1.51 H new ATOM 2012 N THR A 135 -8.719 -7.800 11.148 1.00 0.87 N ATOM 2013 CA THR A 135 -9.630 -6.707 11.441 1.00 0.99 C ATOM 2014 C THR A 135 -10.903 -6.885 10.618 1.00 1.08 C ATOM 2015 O THR A 135 -10.860 -7.109 9.415 1.00 1.90 O ATOM 2016 CB THR A 135 -8.946 -5.357 11.173 1.00 1.43 C ATOM 2017 OG1 THR A 135 -8.559 -5.207 9.823 1.00 1.76 O ATOM 2018 CG2 THR A 135 -7.678 -5.191 12.008 1.00 1.73 C ATOM 0 H THR A 135 -8.580 -7.976 10.153 1.00 0.87 H new ATOM 0 HA THR A 135 -9.904 -6.718 12.496 1.00 0.99 H new ATOM 0 HB THR A 135 -9.691 -4.607 11.438 1.00 1.43 H new ATOM 0 HG1 THR A 135 -8.131 -4.334 9.701 1.00 1.76 H new ATOM 0 HG21 THR A 135 -7.223 -4.225 11.791 1.00 1.73 H new ATOM 0 HG22 THR A 135 -7.930 -5.243 13.067 1.00 1.73 H new ATOM 0 HG23 THR A 135 -6.974 -5.987 11.763 1.00 1.73 H new ATOM 2026 N ASP A 136 -12.081 -6.752 11.221 1.00 1.17 N ATOM 2027 CA ASP A 136 -13.324 -6.730 10.466 1.00 1.29 C ATOM 2028 C ASP A 136 -13.610 -5.313 9.973 1.00 1.68 C ATOM 2029 O ASP A 136 -14.706 -4.788 10.144 1.00 2.00 O ATOM 2030 CB ASP A 136 -14.478 -7.348 11.273 1.00 1.29 C ATOM 2031 CG ASP A 136 -14.817 -6.607 12.569 1.00 2.21 C ATOM 2032 OD1 ASP A 136 -13.854 -6.204 13.264 1.00 3.06 O ATOM 2033 OD2 ASP A 136 -16.023 -6.543 12.888 1.00 2.95 O ATOM 0 H ASP A 136 -12.198 -6.658 12.230 1.00 1.17 H new ATOM 0 HA ASP A 136 -13.222 -7.357 9.580 1.00 1.29 H new ATOM 0 HB2 ASP A 136 -15.368 -7.379 10.644 1.00 1.29 H new ATOM 0 HB3 ASP A 136 -14.223 -8.380 11.516 1.00 1.29 H new ATOM 2038 N ALA A 137 -12.615 -4.727 9.300 1.00 1.79 N ATOM 2039 CA ALA A 137 -12.775 -3.547 8.477 1.00 2.09 C ATOM 2040 C ALA A 137 -13.248 -4.038 7.107 1.00 1.82 C ATOM 2041 O ALA A 137 -14.315 -4.629 7.009 1.00 1.88 O ATOM 2042 CB ALA A 137 -11.445 -2.782 8.440 1.00 2.32 C ATOM 0 H ALA A 137 -11.657 -5.076 9.320 1.00 1.79 H new ATOM 0 HA ALA A 137 -13.512 -2.843 8.864 1.00 2.09 H new ATOM 0 HB1 ALA A 137 -11.555 -1.891 7.822 1.00 2.32 H new ATOM 0 HB2 ALA A 137 -11.165 -2.490 9.452 1.00 2.32 H new ATOM 0 HB3 ALA A 137 -10.669 -3.422 8.019 1.00 2.32 H new ATOM 2048 N ASP A 138 -12.450 -3.852 6.057 1.00 1.62 N ATOM 2049 CA ASP A 138 -12.727 -4.292 4.695 1.00 1.39 C ATOM 2050 C ASP A 138 -11.437 -4.076 3.907 1.00 1.24 C ATOM 2051 O ASP A 138 -10.587 -3.290 4.334 1.00 1.41 O ATOM 2052 CB ASP A 138 -13.832 -3.431 4.064 1.00 1.50 C ATOM 2053 CG ASP A 138 -14.601 -4.168 2.973 1.00 1.35 C ATOM 2054 OD1 ASP A 138 -15.691 -3.674 2.615 1.00 2.33 O ATOM 2055 OD2 ASP A 138 -14.092 -5.213 2.515 1.00 2.08 O ATOM 0 H ASP A 138 -11.555 -3.370 6.138 1.00 1.62 H new ATOM 0 HA ASP A 138 -13.054 -5.332 4.687 1.00 1.39 H new ATOM 0 HB2 ASP A 138 -14.527 -3.113 4.841 1.00 1.50 H new ATOM 0 HB3 ASP A 138 -13.388 -2.528 3.644 1.00 1.50 H new ATOM 2060 N VAL A 139 -11.291 -4.710 2.748 1.00 1.00 N ATOM 2061 CA VAL A 139 -10.137 -4.524 1.891 1.00 0.91 C ATOM 2062 C VAL A 139 -10.591 -4.245 0.469 1.00 0.77 C ATOM 2063 O VAL A 139 -11.223 -5.072 -0.185 1.00 0.79 O ATOM 2064 CB VAL A 139 -9.183 -5.713 2.027 1.00 0.92 C ATOM 2065 CG1 VAL A 139 -9.870 -7.043 2.271 1.00 1.45 C ATOM 2066 CG2 VAL A 139 -8.203 -5.862 0.856 1.00 1.59 C ATOM 0 H VAL A 139 -11.976 -5.370 2.380 1.00 1.00 H new ATOM 0 HA VAL A 139 -9.565 -3.650 2.202 1.00 0.91 H new ATOM 0 HB VAL A 139 -8.616 -5.458 2.922 1.00 0.92 H new ATOM 0 HG11 VAL A 139 -9.120 -7.830 2.355 1.00 1.45 H new ATOM 0 HG12 VAL A 139 -10.446 -6.991 3.195 1.00 1.45 H new ATOM 0 HG13 VAL A 139 -10.538 -7.266 1.439 1.00 1.45 H new ATOM 0 HG21 VAL A 139 -7.561 -6.726 1.026 1.00 1.59 H new ATOM 0 HG22 VAL A 139 -8.761 -6.001 -0.070 1.00 1.59 H new ATOM 0 HG23 VAL A 139 -7.590 -4.964 0.778 1.00 1.59 H new ATOM 2076 N ALA A 140 -10.212 -3.066 -0.011 1.00 0.70 N ATOM 2077 CA ALA A 140 -10.450 -2.631 -1.375 1.00 0.64 C ATOM 2078 C ALA A 140 -9.088 -2.462 -2.034 1.00 0.66 C ATOM 2079 O ALA A 140 -8.226 -1.790 -1.484 1.00 0.81 O ATOM 2080 CB ALA A 140 -11.239 -1.320 -1.363 1.00 0.63 C ATOM 0 H ALA A 140 -9.720 -2.373 0.553 1.00 0.70 H new ATOM 0 HA ALA A 140 -11.040 -3.357 -1.934 1.00 0.64 H new ATOM 0 HB1 ALA A 140 -11.418 -0.993 -2.387 1.00 0.63 H new ATOM 0 HB2 ALA A 140 -12.193 -1.474 -0.860 1.00 0.63 H new ATOM 0 HB3 ALA A 140 -10.669 -0.557 -0.833 1.00 0.63 H new ATOM 2086 N ILE A 141 -8.878 -3.064 -3.198 1.00 0.67 N ATOM 2087 CA ILE A 141 -7.633 -2.988 -3.943 1.00 0.72 C ATOM 2088 C ILE A 141 -7.965 -2.194 -5.198 1.00 0.74 C ATOM 2089 O ILE A 141 -9.069 -2.314 -5.718 1.00 0.86 O ATOM 2090 CB ILE A 141 -7.145 -4.417 -4.240 1.00 0.78 C ATOM 2091 CG1 ILE A 141 -6.749 -5.135 -2.935 1.00 1.21 C ATOM 2092 CG2 ILE A 141 -5.947 -4.420 -5.202 1.00 1.29 C ATOM 2093 CD1 ILE A 141 -6.841 -6.657 -3.071 1.00 1.16 C ATOM 0 H ILE A 141 -9.588 -3.632 -3.659 1.00 0.67 H new ATOM 0 HA ILE A 141 -6.823 -2.497 -3.403 1.00 0.72 H new ATOM 0 HB ILE A 141 -7.971 -4.946 -4.715 1.00 0.78 H new ATOM 0 HG12 ILE A 141 -5.732 -4.856 -2.661 1.00 1.21 H new ATOM 0 HG13 ILE A 141 -7.399 -4.803 -2.126 1.00 1.21 H new ATOM 0 HG21 ILE A 141 -5.632 -5.447 -5.387 1.00 1.29 H new ATOM 0 HG22 ILE A 141 -6.236 -3.954 -6.144 1.00 1.29 H new ATOM 0 HG23 ILE A 141 -5.123 -3.862 -4.758 1.00 1.29 H new ATOM 0 HD11 ILE A 141 -6.554 -7.124 -2.129 1.00 1.16 H new ATOM 0 HD12 ILE A 141 -7.864 -6.939 -3.319 1.00 1.16 H new ATOM 0 HD13 ILE A 141 -6.171 -6.993 -3.862 1.00 1.16 H new ATOM 2105 N TYR A 142 -7.042 -1.370 -5.684 1.00 0.73 N ATOM 2106 CA TYR A 142 -7.253 -0.551 -6.863 1.00 0.79 C ATOM 2107 C TYR A 142 -5.983 -0.596 -7.704 1.00 0.82 C ATOM 2108 O TYR A 142 -4.894 -0.362 -7.180 1.00 0.90 O ATOM 2109 CB TYR A 142 -7.633 0.877 -6.442 1.00 0.91 C ATOM 2110 CG TYR A 142 -6.575 1.589 -5.615 1.00 1.83 C ATOM 2111 CD1 TYR A 142 -6.462 1.329 -4.235 1.00 2.78 C ATOM 2112 CD2 TYR A 142 -5.664 2.461 -6.236 1.00 3.03 C ATOM 2113 CE1 TYR A 142 -5.445 1.939 -3.479 1.00 4.41 C ATOM 2114 CE2 TYR A 142 -4.626 3.047 -5.493 1.00 4.62 C ATOM 2115 CZ TYR A 142 -4.516 2.799 -4.108 1.00 5.23 C ATOM 2116 OH TYR A 142 -3.485 3.359 -3.409 1.00 6.93 O ATOM 0 H TYR A 142 -6.120 -1.254 -5.264 1.00 0.73 H new ATOM 0 HA TYR A 142 -8.078 -0.929 -7.466 1.00 0.79 H new ATOM 0 HB2 TYR A 142 -7.834 1.465 -7.337 1.00 0.91 H new ATOM 0 HB3 TYR A 142 -8.560 0.840 -5.870 1.00 0.91 H new ATOM 0 HD1 TYR A 142 -7.160 0.658 -3.755 1.00 2.78 H new ATOM 0 HD2 TYR A 142 -5.763 2.681 -7.289 1.00 3.03 H new ATOM 0 HE1 TYR A 142 -5.374 1.750 -2.418 1.00 4.41 H new ATOM 0 HE2 TYR A 142 -3.910 3.690 -5.983 1.00 4.62 H new ATOM 0 HH TYR A 142 -2.649 3.239 -3.906 1.00 6.93 H new ATOM 2126 N CYS A 143 -6.085 -0.945 -8.988 1.00 0.79 N ATOM 2127 CA CYS A 143 -4.901 -1.003 -9.835 1.00 0.73 C ATOM 2128 C CYS A 143 -5.282 -0.958 -11.315 1.00 0.79 C ATOM 2129 O CYS A 143 -5.868 -1.903 -11.844 1.00 1.01 O ATOM 2130 CB CYS A 143 -4.090 -2.266 -9.504 1.00 0.77 C ATOM 2131 SG CYS A 143 -5.175 -3.696 -9.212 1.00 3.28 S ATOM 0 H CYS A 143 -6.960 -1.187 -9.454 1.00 0.79 H new ATOM 0 HA CYS A 143 -4.281 -0.129 -9.636 1.00 0.73 H new ATOM 0 HB2 CYS A 143 -3.408 -2.487 -10.325 1.00 0.77 H new ATOM 0 HB3 CYS A 143 -3.478 -2.086 -8.620 1.00 0.77 H new ATOM 0 HG CYS A 143 -6.315 -3.504 -9.807 1.00 3.28 H new ATOM 2137 N ARG A 144 -4.933 0.125 -12.015 1.00 0.97 N ATOM 2138 CA ARG A 144 -5.227 0.270 -13.436 1.00 1.11 C ATOM 2139 C ARG A 144 -4.406 -0.668 -14.321 1.00 1.26 C ATOM 2140 O ARG A 144 -3.436 -0.246 -14.942 1.00 1.87 O ATOM 2141 CB ARG A 144 -5.057 1.733 -13.866 1.00 1.35 C ATOM 2142 CG ARG A 144 -3.643 2.308 -13.635 1.00 1.77 C ATOM 2143 CD ARG A 144 -2.941 2.715 -14.935 1.00 2.41 C ATOM 2144 NE ARG A 144 -3.748 3.688 -15.681 1.00 2.59 N ATOM 2145 CZ ARG A 144 -4.352 3.477 -16.859 1.00 3.16 C ATOM 2146 NH1 ARG A 144 -5.048 4.465 -17.422 1.00 3.89 N ATOM 2147 NH2 ARG A 144 -4.280 2.289 -17.470 1.00 3.88 N ATOM 0 H ARG A 144 -4.440 0.921 -11.611 1.00 0.97 H new ATOM 0 HA ARG A 144 -6.267 -0.024 -13.577 1.00 1.11 H new ATOM 0 HB2 ARG A 144 -5.302 1.818 -14.925 1.00 1.35 H new ATOM 0 HB3 ARG A 144 -5.777 2.344 -13.322 1.00 1.35 H new ATOM 0 HG2 ARG A 144 -3.713 3.176 -12.979 1.00 1.77 H new ATOM 0 HG3 ARG A 144 -3.035 1.566 -13.118 1.00 1.77 H new ATOM 0 HD2 ARG A 144 -1.965 3.144 -14.708 1.00 2.41 H new ATOM 0 HD3 ARG A 144 -2.766 1.833 -15.551 1.00 2.41 H new ATOM 0 HE ARG A 144 -3.860 4.612 -15.264 1.00 2.59 H new ATOM 0 HH11 ARG A 144 -5.117 5.370 -16.957 1.00 3.89 H new ATOM 0 HH12 ARG A 144 -5.512 4.316 -18.318 1.00 3.89 H new ATOM 0 HH21 ARG A 144 -3.759 1.525 -17.040 1.00 3.88 H new ATOM 0 HH22 ARG A 144 -4.746 2.147 -18.366 1.00 3.88 H new ATOM 2161 N ASP A 145 -4.842 -1.917 -14.458 1.00 1.00 N ATOM 2162 CA ASP A 145 -4.193 -2.871 -15.360 1.00 1.10 C ATOM 2163 C ASP A 145 -5.186 -3.860 -15.970 1.00 1.07 C ATOM 2164 O ASP A 145 -4.988 -4.362 -17.070 1.00 1.33 O ATOM 2165 CB ASP A 145 -3.103 -3.635 -14.609 1.00 1.19 C ATOM 2166 CG ASP A 145 -2.151 -4.307 -15.597 1.00 1.58 C ATOM 2167 OD1 ASP A 145 -1.596 -3.575 -16.441 1.00 2.83 O ATOM 2168 OD2 ASP A 145 -1.989 -5.543 -15.489 1.00 2.16 O ATOM 0 H ASP A 145 -5.645 -2.296 -13.955 1.00 1.00 H new ATOM 0 HA ASP A 145 -3.755 -2.299 -16.178 1.00 1.10 H new ATOM 0 HB2 ASP A 145 -2.548 -2.952 -13.966 1.00 1.19 H new ATOM 0 HB3 ASP A 145 -3.556 -4.386 -13.962 1.00 1.19 H new ATOM 2173 N LYS A 146 -6.266 -4.173 -15.247 1.00 0.95 N ATOM 2174 CA LYS A 146 -7.284 -5.154 -15.621 1.00 0.95 C ATOM 2175 C LYS A 146 -6.811 -6.588 -15.458 1.00 1.02 C ATOM 2176 O LYS A 146 -7.531 -7.363 -14.836 1.00 1.01 O ATOM 2177 CB LYS A 146 -7.914 -4.892 -16.999 1.00 1.01 C ATOM 2178 CG LYS A 146 -9.337 -5.465 -17.076 1.00 1.15 C ATOM 2179 CD LYS A 146 -10.321 -4.582 -16.299 1.00 2.13 C ATOM 2180 CE LYS A 146 -11.359 -5.416 -15.551 1.00 2.93 C ATOM 2181 NZ LYS A 146 -12.410 -5.953 -16.441 1.00 3.39 N ATOM 0 H LYS A 146 -6.461 -3.730 -14.349 1.00 0.95 H new ATOM 0 HA LYS A 146 -8.091 -5.015 -14.901 1.00 0.95 H new ATOM 0 HB2 LYS A 146 -7.940 -3.820 -17.192 1.00 1.01 H new ATOM 0 HB3 LYS A 146 -7.296 -5.341 -17.776 1.00 1.01 H new ATOM 0 HG2 LYS A 146 -9.650 -5.536 -18.118 1.00 1.15 H new ATOM 0 HG3 LYS A 146 -9.349 -6.476 -16.670 1.00 1.15 H new ATOM 0 HD2 LYS A 146 -9.772 -3.963 -15.590 1.00 2.13 H new ATOM 0 HD3 LYS A 146 -10.826 -3.906 -16.989 1.00 2.13 H new ATOM 0 HE2 LYS A 146 -10.859 -6.243 -15.046 1.00 2.93 H new ATOM 0 HE3 LYS A 146 -11.822 -4.803 -14.777 1.00 2.93 H new ATOM 0 HZ1 LYS A 146 -13.087 -6.510 -15.882 1.00 3.39 H new ATOM 0 HZ2 LYS A 146 -12.908 -5.166 -16.904 1.00 3.39 H new ATOM 0 HZ3 LYS A 146 -11.975 -6.561 -17.164 1.00 3.39 H new ATOM 2195 N LYS A 147 -5.608 -6.957 -15.907 1.00 1.13 N ATOM 2196 CA LYS A 147 -5.061 -8.255 -15.524 1.00 1.27 C ATOM 2197 C LYS A 147 -5.099 -8.412 -14.011 1.00 1.19 C ATOM 2198 O LYS A 147 -5.435 -9.485 -13.533 1.00 1.18 O ATOM 2199 CB LYS A 147 -3.641 -8.472 -16.073 1.00 1.48 C ATOM 2200 CG LYS A 147 -3.686 -9.263 -17.385 1.00 1.62 C ATOM 2201 CD LYS A 147 -2.284 -9.454 -17.981 1.00 2.33 C ATOM 2202 CE LYS A 147 -1.514 -10.631 -17.364 1.00 3.72 C ATOM 2203 NZ LYS A 147 -2.067 -11.940 -17.777 1.00 3.97 N ATOM 0 H LYS A 147 -5.013 -6.395 -16.516 1.00 1.13 H new ATOM 0 HA LYS A 147 -5.687 -9.026 -15.972 1.00 1.27 H new ATOM 0 HB2 LYS A 147 -3.158 -7.509 -16.239 1.00 1.48 H new ATOM 0 HB3 LYS A 147 -3.039 -9.008 -15.339 1.00 1.48 H new ATOM 0 HG2 LYS A 147 -4.142 -10.237 -17.207 1.00 1.62 H new ATOM 0 HG3 LYS A 147 -4.319 -8.741 -18.103 1.00 1.62 H new ATOM 0 HD2 LYS A 147 -2.373 -9.611 -19.056 1.00 2.33 H new ATOM 0 HD3 LYS A 147 -1.709 -8.539 -17.839 1.00 2.33 H new ATOM 0 HE2 LYS A 147 -0.466 -10.572 -17.659 1.00 3.72 H new ATOM 0 HE3 LYS A 147 -1.544 -10.553 -16.277 1.00 3.72 H new ATOM 0 HZ1 LYS A 147 -1.430 -12.700 -17.464 1.00 3.97 H new ATOM 0 HZ2 LYS A 147 -3.004 -12.073 -17.345 1.00 3.97 H new ATOM 0 HZ3 LYS A 147 -2.157 -11.968 -18.813 1.00 3.97 H new ATOM 2217 N TRP A 148 -4.807 -7.355 -13.250 1.00 1.15 N ATOM 2218 CA TRP A 148 -4.755 -7.479 -11.797 1.00 1.12 C ATOM 2219 C TRP A 148 -6.161 -7.642 -11.243 1.00 1.05 C ATOM 2220 O TRP A 148 -6.353 -8.326 -10.248 1.00 1.05 O ATOM 2221 CB TRP A 148 -4.076 -6.268 -11.145 1.00 1.16 C ATOM 2222 CG TRP A 148 -2.628 -6.036 -11.464 1.00 2.02 C ATOM 2223 CD1 TRP A 148 -2.052 -6.251 -12.664 1.00 3.09 C ATOM 2224 CD2 TRP A 148 -1.564 -5.488 -10.618 1.00 2.71 C ATOM 2225 NE1 TRP A 148 -0.747 -5.821 -12.654 1.00 4.45 N ATOM 2226 CE2 TRP A 148 -0.381 -5.359 -11.409 1.00 4.25 C ATOM 2227 CE3 TRP A 148 -1.477 -5.063 -9.273 1.00 2.39 C ATOM 2228 CZ2 TRP A 148 0.816 -4.832 -10.900 1.00 5.30 C ATOM 2229 CZ3 TRP A 148 -0.280 -4.533 -8.752 1.00 3.34 C ATOM 2230 CH2 TRP A 148 0.863 -4.413 -9.561 1.00 4.78 C ATOM 0 H TRP A 148 -4.607 -6.422 -13.609 1.00 1.15 H new ATOM 0 HA TRP A 148 -4.160 -8.361 -11.560 1.00 1.12 H new ATOM 0 HB2 TRP A 148 -4.632 -5.375 -11.431 1.00 1.16 H new ATOM 0 HB3 TRP A 148 -4.171 -6.370 -10.064 1.00 1.16 H new ATOM 0 HD1 TRP A 148 -2.547 -6.698 -13.513 1.00 3.09 H new ATOM 0 HE1 TRP A 148 -0.128 -5.841 -13.465 1.00 4.45 H new ATOM 0 HE3 TRP A 148 -2.343 -5.146 -8.633 1.00 2.39 H new ATOM 0 HZ2 TRP A 148 1.689 -4.750 -11.530 1.00 5.30 H new ATOM 0 HZ3 TRP A 148 -0.240 -4.216 -7.720 1.00 3.34 H new ATOM 0 HH2 TRP A 148 1.774 -4.000 -9.154 1.00 4.78 H new ATOM 2241 N GLU A 149 -7.155 -7.043 -11.894 1.00 1.05 N ATOM 2242 CA GLU A 149 -8.544 -7.182 -11.474 1.00 1.04 C ATOM 2243 C GLU A 149 -8.922 -8.657 -11.597 1.00 1.06 C ATOM 2244 O GLU A 149 -9.561 -9.233 -10.721 1.00 1.10 O ATOM 2245 CB GLU A 149 -9.473 -6.336 -12.357 1.00 1.17 C ATOM 2246 CG GLU A 149 -9.071 -4.860 -12.482 1.00 2.16 C ATOM 2247 CD GLU A 149 -9.379 -4.034 -11.238 1.00 3.43 C ATOM 2248 OE1 GLU A 149 -8.421 -3.449 -10.686 1.00 4.83 O ATOM 2249 OE2 GLU A 149 -10.581 -3.948 -10.904 1.00 3.56 O ATOM 0 H GLU A 149 -7.022 -6.455 -12.717 1.00 1.05 H new ATOM 0 HA GLU A 149 -8.653 -6.834 -10.447 1.00 1.04 H new ATOM 0 HB2 GLU A 149 -9.504 -6.776 -13.354 1.00 1.17 H new ATOM 0 HB3 GLU A 149 -10.484 -6.390 -11.953 1.00 1.17 H new ATOM 0 HG2 GLU A 149 -8.003 -4.800 -12.692 1.00 2.16 H new ATOM 0 HG3 GLU A 149 -9.589 -4.422 -13.335 1.00 2.16 H new ATOM 2256 N MET A 150 -8.505 -9.263 -12.710 1.00 1.12 N ATOM 2257 CA MET A 150 -8.805 -10.637 -13.062 1.00 1.24 C ATOM 2258 C MET A 150 -8.155 -11.566 -12.049 1.00 1.24 C ATOM 2259 O MET A 150 -8.834 -12.350 -11.402 1.00 1.25 O ATOM 2260 CB MET A 150 -8.321 -10.905 -14.497 1.00 1.39 C ATOM 2261 CG MET A 150 -9.374 -11.657 -15.317 1.00 1.61 C ATOM 2262 SD MET A 150 -9.171 -13.452 -15.291 1.00 3.17 S ATOM 2263 CE MET A 150 -10.745 -13.956 -16.036 1.00 3.41 C ATOM 0 H MET A 150 -7.932 -8.789 -13.408 1.00 1.12 H new ATOM 0 HA MET A 150 -9.879 -10.821 -13.035 1.00 1.24 H new ATOM 0 HB2 MET A 150 -8.087 -9.959 -14.985 1.00 1.39 H new ATOM 0 HB3 MET A 150 -7.399 -11.486 -14.468 1.00 1.39 H new ATOM 0 HG2 MET A 150 -10.364 -11.407 -14.936 1.00 1.61 H new ATOM 0 HG3 MET A 150 -9.333 -11.311 -16.350 1.00 1.61 H new ATOM 0 HE1 MET A 150 -10.787 -15.044 -16.096 1.00 3.41 H new ATOM 0 HE2 MET A 150 -11.570 -13.594 -15.423 1.00 3.41 H new ATOM 0 HE3 MET A 150 -10.825 -13.534 -17.038 1.00 3.41 H new ATOM 2273 N THR A 151 -6.842 -11.461 -11.866 1.00 1.28 N ATOM 2274 CA THR A 151 -6.115 -12.314 -10.952 1.00 1.39 C ATOM 2275 C THR A 151 -6.621 -12.182 -9.528 1.00 1.26 C ATOM 2276 O THR A 151 -6.770 -13.187 -8.838 1.00 1.35 O ATOM 2277 CB THR A 151 -4.632 -11.956 -11.037 1.00 1.55 C ATOM 2278 OG1 THR A 151 -4.225 -11.937 -12.388 1.00 1.62 O ATOM 2279 CG2 THR A 151 -3.770 -12.967 -10.299 1.00 1.84 C ATOM 0 H THR A 151 -6.258 -10.779 -12.351 1.00 1.28 H new ATOM 0 HA THR A 151 -6.268 -13.354 -11.239 1.00 1.39 H new ATOM 0 HB THR A 151 -4.505 -10.976 -10.577 1.00 1.55 H new ATOM 0 HG1 THR A 151 -4.458 -11.073 -12.788 1.00 1.62 H new ATOM 0 HG21 THR A 151 -2.722 -12.680 -10.381 1.00 1.84 H new ATOM 0 HG22 THR A 151 -4.058 -12.992 -9.248 1.00 1.84 H new ATOM 0 HG23 THR A 151 -3.911 -13.955 -10.738 1.00 1.84 H new ATOM 2287 N LEU A 152 -6.899 -10.964 -9.072 1.00 1.09 N ATOM 2288 CA LEU A 152 -7.433 -10.792 -7.737 1.00 0.98 C ATOM 2289 C LEU A 152 -8.805 -11.432 -7.663 1.00 0.87 C ATOM 2290 O LEU A 152 -9.137 -12.009 -6.640 1.00 0.84 O ATOM 2291 CB LEU A 152 -7.482 -9.315 -7.323 1.00 0.96 C ATOM 2292 CG LEU A 152 -6.203 -8.845 -6.613 1.00 1.27 C ATOM 2293 CD1 LEU A 152 -6.095 -9.490 -5.226 1.00 2.48 C ATOM 2294 CD2 LEU A 152 -4.920 -9.138 -7.398 1.00 2.23 C ATOM 0 H LEU A 152 -6.765 -10.101 -9.599 1.00 1.09 H new ATOM 0 HA LEU A 152 -6.767 -11.286 -7.030 1.00 0.98 H new ATOM 0 HB2 LEU A 152 -7.645 -8.701 -8.209 1.00 0.96 H new ATOM 0 HB3 LEU A 152 -8.335 -9.157 -6.664 1.00 0.96 H new ATOM 0 HG LEU A 152 -6.292 -7.762 -6.531 1.00 1.27 H new ATOM 0 HD11 LEU A 152 -5.184 -9.147 -4.735 1.00 2.48 H new ATOM 0 HD12 LEU A 152 -6.959 -9.207 -4.625 1.00 2.48 H new ATOM 0 HD13 LEU A 152 -6.065 -10.575 -5.330 1.00 2.48 H new ATOM 0 HD21 LEU A 152 -4.059 -8.778 -6.835 1.00 2.23 H new ATOM 0 HD22 LEU A 152 -4.827 -10.213 -7.556 1.00 2.23 H new ATOM 0 HD23 LEU A 152 -4.960 -8.632 -8.363 1.00 2.23 H new ATOM 2306 N LYS A 153 -9.597 -11.391 -8.733 1.00 0.90 N ATOM 2307 CA LYS A 153 -10.883 -12.073 -8.732 1.00 0.98 C ATOM 2308 C LYS A 153 -10.685 -13.580 -8.668 1.00 1.16 C ATOM 2309 O LYS A 153 -11.486 -14.268 -8.042 1.00 1.22 O ATOM 2310 CB LYS A 153 -11.698 -11.673 -9.970 1.00 1.22 C ATOM 2311 CG LYS A 153 -12.634 -10.499 -9.654 1.00 1.01 C ATOM 2312 CD LYS A 153 -13.916 -11.007 -8.983 1.00 1.90 C ATOM 2313 CE LYS A 153 -14.786 -11.729 -10.022 1.00 3.06 C ATOM 2314 NZ LYS A 153 -15.559 -12.840 -9.428 1.00 4.15 N ATOM 0 H LYS A 153 -9.373 -10.900 -9.598 1.00 0.90 H new ATOM 0 HA LYS A 153 -11.442 -11.770 -7.846 1.00 0.98 H new ATOM 0 HB2 LYS A 153 -11.024 -11.397 -10.781 1.00 1.22 H new ATOM 0 HB3 LYS A 153 -12.282 -12.526 -10.317 1.00 1.22 H new ATOM 0 HG2 LYS A 153 -12.129 -9.789 -8.999 1.00 1.01 H new ATOM 0 HG3 LYS A 153 -12.882 -9.966 -10.572 1.00 1.01 H new ATOM 0 HD2 LYS A 153 -13.668 -11.685 -8.167 1.00 1.90 H new ATOM 0 HD3 LYS A 153 -14.467 -10.173 -8.548 1.00 1.90 H new ATOM 0 HE2 LYS A 153 -15.472 -11.015 -10.478 1.00 3.06 H new ATOM 0 HE3 LYS A 153 -14.151 -12.116 -10.819 1.00 3.06 H new ATOM 0 HZ1 LYS A 153 -16.131 -13.298 -10.166 1.00 4.15 H new ATOM 0 HZ2 LYS A 153 -14.906 -13.536 -9.015 1.00 4.15 H new ATOM 0 HZ3 LYS A 153 -16.185 -12.469 -8.685 1.00 4.15 H new ATOM 2328 N GLU A 154 -9.631 -14.091 -9.292 1.00 1.31 N ATOM 2329 CA GLU A 154 -9.395 -15.519 -9.415 1.00 1.54 C ATOM 2330 C GLU A 154 -8.954 -16.070 -8.063 1.00 1.57 C ATOM 2331 O GLU A 154 -9.354 -17.157 -7.659 1.00 1.75 O ATOM 2332 CB GLU A 154 -8.344 -15.778 -10.510 1.00 1.69 C ATOM 2333 CG GLU A 154 -8.807 -16.843 -11.512 1.00 1.90 C ATOM 2334 CD GLU A 154 -9.920 -16.340 -12.443 1.00 2.45 C ATOM 2335 OE1 GLU A 154 -10.917 -15.793 -11.920 1.00 3.57 O ATOM 2336 OE2 GLU A 154 -9.767 -16.529 -13.670 1.00 3.57 O ATOM 0 H GLU A 154 -8.910 -13.518 -9.730 1.00 1.31 H new ATOM 0 HA GLU A 154 -10.311 -16.032 -9.709 1.00 1.54 H new ATOM 0 HB2 GLU A 154 -8.136 -14.848 -11.040 1.00 1.69 H new ATOM 0 HB3 GLU A 154 -7.410 -16.097 -10.048 1.00 1.69 H new ATOM 0 HG2 GLU A 154 -7.956 -17.165 -12.112 1.00 1.90 H new ATOM 0 HG3 GLU A 154 -9.163 -17.718 -10.967 1.00 1.90 H new ATOM 2343 N ALA A 155 -8.143 -15.304 -7.335 1.00 1.44 N ATOM 2344 CA ALA A 155 -7.681 -15.671 -6.010 1.00 1.47 C ATOM 2345 C ALA A 155 -8.775 -15.448 -4.979 1.00 1.28 C ATOM 2346 O ALA A 155 -8.902 -16.238 -4.053 1.00 1.39 O ATOM 2347 CB ALA A 155 -6.425 -14.868 -5.659 1.00 1.52 C ATOM 0 H ALA A 155 -7.788 -14.404 -7.657 1.00 1.44 H new ATOM 0 HA ALA A 155 -7.430 -16.732 -6.003 1.00 1.47 H new ATOM 0 HB1 ALA A 155 -6.081 -15.147 -4.663 1.00 1.52 H new ATOM 0 HB2 ALA A 155 -5.642 -15.082 -6.386 1.00 1.52 H new ATOM 0 HB3 ALA A 155 -6.657 -13.803 -5.678 1.00 1.52 H new ATOM 2353 N VAL A 156 -9.585 -14.402 -5.139 1.00 1.03 N ATOM 2354 CA VAL A 156 -10.737 -14.192 -4.285 1.00 0.90 C ATOM 2355 C VAL A 156 -11.741 -15.318 -4.528 1.00 1.06 C ATOM 2356 O VAL A 156 -12.455 -15.708 -3.609 1.00 1.10 O ATOM 2357 CB VAL A 156 -11.298 -12.781 -4.535 1.00 0.75 C ATOM 2358 CG1 VAL A 156 -12.718 -12.610 -4.003 1.00 0.76 C ATOM 2359 CG2 VAL A 156 -10.380 -11.757 -3.851 1.00 0.71 C ATOM 0 H VAL A 156 -9.458 -13.689 -5.857 1.00 1.03 H new ATOM 0 HA VAL A 156 -10.474 -14.233 -3.228 1.00 0.90 H new ATOM 0 HB VAL A 156 -11.334 -12.625 -5.613 1.00 0.75 H new ATOM 0 HG11 VAL A 156 -13.063 -11.596 -4.207 1.00 0.76 H new ATOM 0 HG12 VAL A 156 -13.379 -13.324 -4.494 1.00 0.76 H new ATOM 0 HG13 VAL A 156 -12.727 -12.787 -2.928 1.00 0.76 H new ATOM 0 HG21 VAL A 156 -10.766 -10.752 -4.020 1.00 0.71 H new ATOM 0 HG22 VAL A 156 -10.346 -11.957 -2.780 1.00 0.71 H new ATOM 0 HG23 VAL A 156 -9.375 -11.834 -4.267 1.00 0.71 H new ATOM 2369 N ALA A 157 -11.778 -15.882 -5.738 1.00 1.25 N ATOM 2370 CA ALA A 157 -12.672 -16.989 -6.029 1.00 1.52 C ATOM 2371 C ALA A 157 -12.131 -18.247 -5.365 1.00 1.69 C ATOM 2372 O ALA A 157 -12.852 -18.944 -4.664 1.00 1.79 O ATOM 2373 CB ALA A 157 -12.830 -17.172 -7.542 1.00 1.74 C ATOM 0 H ALA A 157 -11.199 -15.587 -6.524 1.00 1.25 H new ATOM 0 HA ALA A 157 -13.664 -16.779 -5.628 1.00 1.52 H new ATOM 0 HB1 ALA A 157 -13.503 -18.006 -7.739 1.00 1.74 H new ATOM 0 HB2 ALA A 157 -13.242 -16.262 -7.977 1.00 1.74 H new ATOM 0 HB3 ALA A 157 -11.857 -17.378 -7.987 1.00 1.74 H new ATOM 2379 N ARG A 158 -10.845 -18.547 -5.554 1.00 1.77 N ATOM 2380 CA ARG A 158 -10.258 -19.732 -4.950 1.00 1.97 C ATOM 2381 C ARG A 158 -10.064 -19.577 -3.438 1.00 1.92 C ATOM 2382 O ARG A 158 -9.698 -20.537 -2.768 1.00 2.19 O ATOM 2383 CB ARG A 158 -8.969 -20.131 -5.679 1.00 2.10 C ATOM 2384 CG ARG A 158 -8.555 -21.538 -5.224 1.00 2.98 C ATOM 2385 CD ARG A 158 -7.848 -22.340 -6.316 1.00 2.58 C ATOM 2386 NE ARG A 158 -7.873 -23.769 -5.968 1.00 3.10 N ATOM 2387 CZ ARG A 158 -7.777 -24.786 -6.831 1.00 3.24 C ATOM 2388 NH1 ARG A 158 -8.016 -26.032 -6.418 1.00 4.13 N ATOM 2389 NH2 ARG A 158 -7.451 -24.555 -8.104 1.00 3.49 N ATOM 0 H ARG A 158 -10.201 -17.990 -6.115 1.00 1.77 H new ATOM 0 HA ARG A 158 -10.964 -20.554 -5.070 1.00 1.97 H new ATOM 0 HB2 ARG A 158 -9.125 -20.115 -6.758 1.00 2.10 H new ATOM 0 HB3 ARG A 158 -8.176 -19.416 -5.461 1.00 2.10 H new ATOM 0 HG2 ARG A 158 -7.896 -21.454 -4.360 1.00 2.98 H new ATOM 0 HG3 ARG A 158 -9.441 -22.083 -4.898 1.00 2.98 H new ATOM 0 HD2 ARG A 158 -8.339 -22.180 -7.276 1.00 2.58 H new ATOM 0 HD3 ARG A 158 -6.818 -21.999 -6.424 1.00 2.58 H new ATOM 0 HE ARG A 158 -7.972 -24.005 -4.981 1.00 3.10 H new ATOM 0 HH11 ARG A 158 -8.271 -26.207 -5.446 1.00 4.13 H new ATOM 0 HH12 ARG A 158 -7.943 -26.810 -7.074 1.00 4.13 H new ATOM 0 HH21 ARG A 158 -7.275 -23.601 -8.420 1.00 3.49 H new ATOM 0 HH22 ARG A 158 -7.378 -25.332 -8.761 1.00 3.49 H new ATOM 2403 N ARG A 159 -10.284 -18.382 -2.890 1.00 1.59 N ATOM 2404 CA ARG A 159 -10.342 -18.183 -1.447 1.00 1.50 C ATOM 2405 C ARG A 159 -11.614 -18.743 -0.821 1.00 1.51 C ATOM 2406 O ARG A 159 -11.646 -18.828 0.405 1.00 1.65 O ATOM 2407 CB ARG A 159 -10.213 -16.691 -1.107 1.00 1.35 C ATOM 2408 CG ARG A 159 -8.807 -16.362 -0.603 1.00 2.04 C ATOM 2409 CD ARG A 159 -8.582 -16.986 0.782 1.00 2.25 C ATOM 2410 NE ARG A 159 -7.565 -18.049 0.768 1.00 2.98 N ATOM 2411 CZ ARG A 159 -7.109 -18.669 1.865 1.00 3.68 C ATOM 2412 NH1 ARG A 159 -6.179 -19.620 1.762 1.00 4.68 N ATOM 2413 NH2 ARG A 159 -7.582 -18.332 3.065 1.00 3.88 N ATOM 0 H ARG A 159 -10.426 -17.530 -3.433 1.00 1.59 H new ATOM 0 HA ARG A 159 -9.503 -18.735 -1.024 1.00 1.50 H new ATOM 0 HB2 ARG A 159 -10.435 -16.093 -1.991 1.00 1.35 H new ATOM 0 HB3 ARG A 159 -10.947 -16.423 -0.347 1.00 1.35 H new ATOM 0 HG2 ARG A 159 -8.063 -16.739 -1.305 1.00 2.04 H new ATOM 0 HG3 ARG A 159 -8.675 -15.281 -0.549 1.00 2.04 H new ATOM 0 HD2 ARG A 159 -8.278 -16.207 1.482 1.00 2.25 H new ATOM 0 HD3 ARG A 159 -9.524 -17.395 1.149 1.00 2.25 H new ATOM 0 HE ARG A 159 -7.183 -18.332 -0.134 1.00 2.98 H new ATOM 0 HH11 ARG A 159 -5.812 -19.878 0.846 1.00 4.68 H new ATOM 0 HH12 ARG A 159 -5.835 -20.089 2.600 1.00 4.68 H new ATOM 0 HH21 ARG A 159 -8.290 -17.603 3.148 1.00 3.88 H new ATOM 0 HH22 ARG A 159 -7.236 -18.803 3.901 1.00 3.88 H new ATOM 2427 N GLU A 160 -12.653 -19.046 -1.605 1.00 1.57 N ATOM 2428 CA GLU A 160 -13.869 -19.649 -1.083 1.00 1.88 C ATOM 2429 C GLU A 160 -13.541 -20.954 -0.355 1.00 3.01 C ATOM 2430 O GLU A 160 -14.111 -21.155 0.739 1.00 3.33 O ATOM 2431 CB GLU A 160 -14.855 -19.884 -2.239 1.00 2.37 C ATOM 2432 CG GLU A 160 -16.297 -19.908 -1.722 1.00 2.73 C ATOM 2433 CD GLU A 160 -17.219 -20.863 -2.497 1.00 4.01 C ATOM 2434 OE1 GLU A 160 -17.065 -20.957 -3.737 1.00 4.71 O ATOM 2435 OE2 GLU A 160 -18.102 -21.465 -1.844 1.00 4.95 O ATOM 0 H GLU A 160 -12.669 -18.879 -2.611 1.00 1.57 H new ATOM 0 HA GLU A 160 -14.334 -18.977 -0.361 1.00 1.88 H new ATOM 0 HB2 GLU A 160 -14.744 -19.097 -2.985 1.00 2.37 H new ATOM 0 HB3 GLU A 160 -14.625 -20.827 -2.734 1.00 2.37 H new ATOM 0 HG2 GLU A 160 -16.291 -20.197 -0.671 1.00 2.73 H new ATOM 0 HG3 GLU A 160 -16.708 -18.900 -1.773 1.00 2.73 H new TER 2442 GLU A 160