USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 899 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 101 ASN : amide:sc= -0.0558 K(o=0.61,f=-3.4!) USER MOD Set 1.2: A 132 GLN : amide:sc= 0.663 K(o=0.61,f=-4.2!) USER MOD Set 2.1: A 95 THR OG1 : rot 102:sc= 1.17 USER MOD Set 2.2: A 128 ASN :FLIP amide:sc= -0.697 F(o=-0.92,f=0.47) USER MOD Set 3.1: A 79 ASN : amide:sc= -0.542 K(o=0.095,f=-3.8!) USER MOD Set 3.2: A 82 THR OG1 : rot 3:sc= 0.638 USER MOD Set 4.1: A 54 ASN : amide:sc= -0.503 K(o=-3.2,f=-4.3) USER MOD Set 4.2: A 93 HIS : no HD1:sc= -2.71 X(o=-3.2,f=-2.8!) USER MOD Set 5.1: A 34 GLN : amide:sc=0.000823 X(o=-0.21,f=-0.31) USER MOD Set 5.2: A 38 ASN : amide:sc= -0.213 K(o=-0.21,f=-3!) USER MOD Set 6.1: A 23 MET CE :methyl 163:sc= -0.215 (180deg=-1.06) USER MOD Set 6.2: A 102 SER OG : rot 180:sc= 0.016 USER MOD Set 7.1: A 11 HIS : no HE2:sc= 1.38 K(o=2.7,f=-10!) USER MOD Set 7.2: A 123 TYR OH : rot -3:sc= 1.31 USER MOD Set 8.1: A 1 GLN : amide:sc= -0.6 X(o=-0.39,f=-0.25) USER MOD Set 8.2: A 63 THR OG1 : rot -130:sc= 0.212 USER MOD Single : A 1 GLN N :NH3+ -170:sc= 0.589 (180deg=0.0382) USER MOD Single : A 2 ASN : amide:sc= -0.816 K(o=-0.82,f=-4.3!) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 5 GLN : amide:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0364 K(o=-0.036,f=-1.6!) USER MOD Single : A 17 GLN : amide:sc= 1.02 K(o=1,f=-0.9) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 28 ASN : amide:sc=-0.00998 K(o=-0.01,f=-0.69) USER MOD Single : A 31 SER OG : rot -55:sc= 1.03 USER MOD Single : A 35 ASN : amide:sc= 0.01 X(o=0.01,f=-0.0084) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 31:sc= 0.632 USER MOD Single : A 45 ASN : amide:sc= 0.378 X(o=0.38,f=-0.016) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0558 X(o=-0.056,f=-0.17) USER MOD Single : A 73 SER OG : rot 41:sc= 0.0929 USER MOD Single : A 77 SER OG : rot 180:sc= 0.00419 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.01! C(o=-1!,f=-3.3!) USER MOD Single : A 84 GLN : amide:sc= 0.124 X(o=0.12,f=0) USER MOD Single : A 94 TYR OH : rot -172:sc= 0.248 USER MOD Single : A 96 GLN : amide:sc= 0.2 K(o=0.2,f=-2.1) USER MOD Single : A 120 SER OG : rot -33:sc= 1.11 USER MOD Single : A 122 ASN : amide:sc= 0.996 K(o=1,f=-0.28) USER MOD Single : A 135 TYR OH : rot -7:sc= 1.51 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -5.301 9.197 6.567 1.00 1.82 N ATOM 2 CA GLN A 1 -5.083 8.771 5.175 1.00 1.28 C ATOM 3 C GLN A 1 -3.756 8.006 5.010 1.00 1.27 C ATOM 4 O GLN A 1 -3.266 7.848 3.895 1.00 1.35 O ATOM 5 CB GLN A 1 -5.109 9.964 4.218 1.00 1.28 C ATOM 6 CG GLN A 1 -6.320 10.900 4.313 1.00 1.84 C ATOM 7 CD GLN A 1 -5.947 12.240 3.691 1.00 2.60 C ATOM 8 OE1 GLN A 1 -5.501 13.145 4.392 1.00 3.45 O ATOM 9 NE2 GLN A 1 -6.012 12.356 2.375 1.00 3.28 N ATOM 0 H1 GLN A 1 -6.272 9.555 6.672 1.00 1.82 H new ATOM 0 H2 GLN A 1 -5.160 8.387 7.204 1.00 1.82 H new ATOM 0 H3 GLN A 1 -4.626 9.950 6.809 1.00 1.82 H new ATOM 0 HA GLN A 1 -5.902 8.097 4.924 1.00 1.28 H new ATOM 0 HB2 GLN A 1 -4.209 10.555 4.387 1.00 1.28 H new ATOM 0 HB3 GLN A 1 -5.053 9.583 3.198 1.00 1.28 H new ATOM 0 HG2 GLN A 1 -7.175 10.467 3.794 1.00 1.84 H new ATOM 0 HG3 GLN A 1 -6.614 11.035 5.354 1.00 1.84 H new ATOM 0 HE21 GLN A 1 -6.386 11.591 1.813 1.00 3.28 H new ATOM 0 HE22 GLN A 1 -5.688 13.210 1.922 1.00 3.28 H new ATOM 20 N ASN A 2 -3.122 7.558 6.090 1.00 1.43 N ATOM 21 CA ASN A 2 -1.823 6.881 6.049 1.00 1.57 C ATOM 22 C ASN A 2 -1.673 5.861 7.177 1.00 1.58 C ATOM 23 O ASN A 2 -0.651 5.184 7.260 1.00 2.71 O ATOM 24 CB ASN A 2 -0.683 7.910 6.092 1.00 1.99 C ATOM 25 CG ASN A 2 -0.663 8.720 7.388 1.00 1.97 C ATOM 26 OD1 ASN A 2 -0.895 8.208 8.478 1.00 3.12 O ATOM 27 ND2 ASN A 2 -0.418 10.015 7.292 1.00 1.92 N ATOM 0 H ASN A 2 -3.499 7.655 7.033 1.00 1.43 H new ATOM 0 HA ASN A 2 -1.768 6.332 5.109 1.00 1.57 H new ATOM 0 HB2 ASN A 2 0.270 7.394 5.977 1.00 1.99 H new ATOM 0 HB3 ASN A 2 -0.782 8.590 5.246 1.00 1.99 H new ATOM 0 HD21 ASN A 2 -0.421 10.598 8.129 1.00 1.92 H new ATOM 0 HD22 ASN A 2 -0.226 10.432 6.381 1.00 1.92 H new ATOM 34 N SER A 3 -2.680 5.743 8.035 1.00 1.00 N ATOM 35 CA SER A 3 -2.726 4.807 9.135 1.00 0.90 C ATOM 36 C SER A 3 -2.976 3.418 8.532 1.00 0.79 C ATOM 37 O SER A 3 -3.383 3.331 7.373 1.00 0.98 O ATOM 38 CB SER A 3 -3.876 5.299 10.029 1.00 1.01 C ATOM 39 OG SER A 3 -3.816 6.720 10.169 1.00 1.90 O ATOM 0 H SER A 3 -3.517 6.323 7.975 1.00 1.00 H new ATOM 0 HA SER A 3 -1.814 4.742 9.729 1.00 0.90 H new ATOM 0 HB2 SER A 3 -4.833 5.009 9.596 1.00 1.01 H new ATOM 0 HB3 SER A 3 -3.813 4.826 11.009 1.00 1.01 H new ATOM 0 HG SER A 3 -4.553 7.024 10.739 1.00 1.90 H new ATOM 45 N PRO A 4 -2.744 2.329 9.274 1.00 0.77 N ATOM 46 CA PRO A 4 -2.918 0.974 8.765 1.00 0.79 C ATOM 47 C PRO A 4 -4.282 0.818 8.090 1.00 0.57 C ATOM 48 O PRO A 4 -4.381 0.509 6.902 1.00 0.51 O ATOM 49 CB PRO A 4 -2.737 0.058 9.981 1.00 0.96 C ATOM 50 CG PRO A 4 -2.805 0.974 11.202 1.00 0.94 C ATOM 51 CD PRO A 4 -2.307 2.309 10.657 1.00 0.92 C ATOM 0 HA PRO A 4 -2.195 0.720 7.990 1.00 0.79 H new ATOM 0 HB2 PRO A 4 -3.517 -0.702 10.018 1.00 0.96 H new ATOM 0 HB3 PRO A 4 -1.782 -0.466 9.938 1.00 0.96 H new ATOM 0 HG2 PRO A 4 -3.820 1.051 11.593 1.00 0.94 H new ATOM 0 HG3 PRO A 4 -2.177 0.610 12.015 1.00 0.94 H new ATOM 0 HD2 PRO A 4 -2.725 3.146 11.216 1.00 0.92 H new ATOM 0 HD3 PRO A 4 -1.222 2.387 10.731 1.00 0.92 H new ATOM 59 N GLN A 5 -5.334 1.119 8.848 1.00 0.50 N ATOM 60 CA GLN A 5 -6.701 1.105 8.370 1.00 0.42 C ATOM 61 C GLN A 5 -6.933 1.946 7.114 1.00 0.44 C ATOM 62 O GLN A 5 -7.883 1.669 6.390 1.00 0.54 O ATOM 63 CB GLN A 5 -7.642 1.566 9.479 1.00 0.49 C ATOM 64 CG GLN A 5 -7.339 2.975 9.992 1.00 2.03 C ATOM 65 CD GLN A 5 -8.386 3.336 11.025 1.00 2.66 C ATOM 66 OE1 GLN A 5 -8.103 3.346 12.220 1.00 3.48 O ATOM 67 NE2 GLN A 5 -9.604 3.572 10.562 1.00 3.25 N ATOM 0 H GLN A 5 -5.251 1.384 9.830 1.00 0.50 H new ATOM 0 HA GLN A 5 -6.911 0.073 8.088 1.00 0.42 H new ATOM 0 HB2 GLN A 5 -8.667 1.535 9.110 1.00 0.49 H new ATOM 0 HB3 GLN A 5 -7.581 0.864 10.311 1.00 0.49 H new ATOM 0 HG2 GLN A 5 -6.342 3.014 10.431 1.00 2.03 H new ATOM 0 HG3 GLN A 5 -7.353 3.690 9.170 1.00 2.03 H new ATOM 0 HE21 GLN A 5 -9.781 3.550 9.558 1.00 3.25 H new ATOM 0 HE22 GLN A 5 -10.365 3.775 11.210 1.00 3.25 H new ATOM 76 N ASP A 6 -6.159 3.010 6.870 1.00 0.54 N ATOM 77 CA ASP A 6 -6.394 3.850 5.701 1.00 0.69 C ATOM 78 C ASP A 6 -6.068 3.030 4.459 1.00 0.65 C ATOM 79 O ASP A 6 -6.874 2.946 3.537 1.00 0.73 O ATOM 80 CB ASP A 6 -5.558 5.141 5.715 1.00 0.92 C ATOM 81 CG ASP A 6 -6.052 6.185 6.690 1.00 1.27 C ATOM 82 OD1 ASP A 6 -7.201 6.649 6.561 1.00 1.63 O ATOM 83 OD2 ASP A 6 -5.237 6.671 7.504 1.00 2.51 O ATOM 0 H ASP A 6 -5.379 3.302 7.458 1.00 0.54 H new ATOM 0 HA ASP A 6 -7.438 4.162 5.706 1.00 0.69 H new ATOM 0 HB2 ASP A 6 -4.526 4.890 5.960 1.00 0.92 H new ATOM 0 HB3 ASP A 6 -5.553 5.569 4.713 1.00 0.92 H new ATOM 88 N TYR A 7 -4.883 2.416 4.431 1.00 0.59 N ATOM 89 CA TYR A 7 -4.531 1.528 3.332 1.00 0.59 C ATOM 90 C TYR A 7 -5.521 0.363 3.293 1.00 0.55 C ATOM 91 O TYR A 7 -6.132 0.103 2.254 1.00 0.58 O ATOM 92 CB TYR A 7 -3.091 1.012 3.458 1.00 0.58 C ATOM 93 CG TYR A 7 -1.993 2.032 3.204 1.00 0.76 C ATOM 94 CD1 TYR A 7 -1.409 2.147 1.926 1.00 1.45 C ATOM 95 CD2 TYR A 7 -1.385 2.672 4.297 1.00 2.34 C ATOM 96 CE1 TYR A 7 -0.171 2.794 1.769 1.00 1.53 C ATOM 97 CE2 TYR A 7 -0.150 3.320 4.139 1.00 2.70 C ATOM 98 CZ TYR A 7 0.477 3.345 2.886 1.00 1.64 C ATOM 99 OH TYR A 7 1.756 3.802 2.801 1.00 2.25 O ATOM 0 H TYR A 7 -4.164 2.518 5.147 1.00 0.59 H new ATOM 0 HA TYR A 7 -4.587 2.089 2.399 1.00 0.59 H new ATOM 0 HB2 TYR A 7 -2.958 0.607 4.461 1.00 0.58 H new ATOM 0 HB3 TYR A 7 -2.960 0.185 2.760 1.00 0.58 H new ATOM 0 HD1 TYR A 7 -1.915 1.737 1.064 1.00 1.45 H new ATOM 0 HD2 TYR A 7 -1.870 2.665 5.262 1.00 2.34 H new ATOM 0 HE1 TYR A 7 0.281 2.867 0.791 1.00 1.53 H new ATOM 0 HE2 TYR A 7 0.318 3.801 4.985 1.00 2.70 H new ATOM 0 HH TYR A 7 2.038 4.149 3.673 1.00 2.25 H new ATOM 109 N LEU A 8 -5.655 -0.360 4.409 1.00 0.49 N ATOM 110 CA LEU A 8 -6.492 -1.554 4.475 1.00 0.44 C ATOM 111 C LEU A 8 -7.901 -1.283 3.960 1.00 0.46 C ATOM 112 O LEU A 8 -8.407 -2.064 3.164 1.00 0.57 O ATOM 113 CB LEU A 8 -6.539 -2.135 5.896 1.00 0.35 C ATOM 114 CG LEU A 8 -5.527 -3.268 6.102 1.00 0.34 C ATOM 115 CD1 LEU A 8 -5.359 -3.528 7.600 1.00 0.39 C ATOM 116 CD2 LEU A 8 -5.999 -4.570 5.438 1.00 0.47 C ATOM 0 H LEU A 8 -5.187 -0.133 5.286 1.00 0.49 H new ATOM 0 HA LEU A 8 -6.033 -2.297 3.823 1.00 0.44 H new ATOM 0 HB2 LEU A 8 -6.342 -1.341 6.616 1.00 0.35 H new ATOM 0 HB3 LEU A 8 -7.543 -2.508 6.099 1.00 0.35 H new ATOM 0 HG LEU A 8 -4.584 -2.962 5.648 1.00 0.34 H new ATOM 0 HD11 LEU A 8 -4.640 -4.333 7.751 1.00 0.39 H new ATOM 0 HD12 LEU A 8 -4.998 -2.623 8.088 1.00 0.39 H new ATOM 0 HD13 LEU A 8 -6.319 -3.814 8.030 1.00 0.39 H new ATOM 0 HD21 LEU A 8 -5.258 -5.352 5.603 1.00 0.47 H new ATOM 0 HD22 LEU A 8 -6.952 -4.875 5.871 1.00 0.47 H new ATOM 0 HD23 LEU A 8 -6.123 -4.408 4.367 1.00 0.47 H new ATOM 128 N ALA A 9 -8.528 -0.189 4.393 1.00 0.42 N ATOM 129 CA ALA A 9 -9.891 0.140 4.009 1.00 0.41 C ATOM 130 C ALA A 9 -10.060 0.090 2.495 1.00 0.38 C ATOM 131 O ALA A 9 -10.958 -0.587 2.002 1.00 0.38 O ATOM 132 CB ALA A 9 -10.287 1.515 4.546 1.00 0.44 C ATOM 0 H ALA A 9 -8.100 0.492 5.021 1.00 0.42 H new ATOM 0 HA ALA A 9 -10.552 -0.606 4.449 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -11.310 1.741 4.247 1.00 0.44 H new ATOM 0 HB2 ALA A 9 -10.218 1.514 5.634 1.00 0.44 H new ATOM 0 HB3 ALA A 9 -9.615 2.271 4.141 1.00 0.44 H new ATOM 138 N VAL A 10 -9.198 0.795 1.761 1.00 0.38 N ATOM 139 CA VAL A 10 -9.307 0.895 0.312 1.00 0.39 C ATOM 140 C VAL A 10 -9.082 -0.477 -0.329 1.00 0.37 C ATOM 141 O VAL A 10 -9.819 -0.864 -1.236 1.00 0.36 O ATOM 142 CB VAL A 10 -8.319 1.940 -0.234 1.00 0.43 C ATOM 143 CG1 VAL A 10 -8.532 2.176 -1.737 1.00 0.49 C ATOM 144 CG2 VAL A 10 -8.481 3.300 0.448 1.00 0.49 C ATOM 0 H VAL A 10 -8.410 1.309 2.155 1.00 0.38 H new ATOM 0 HA VAL A 10 -10.313 1.227 0.055 1.00 0.39 H new ATOM 0 HB VAL A 10 -7.327 1.534 -0.035 1.00 0.43 H new ATOM 0 HG11 VAL A 10 -7.819 2.919 -2.093 1.00 0.49 H new ATOM 0 HG12 VAL A 10 -8.382 1.241 -2.277 1.00 0.49 H new ATOM 0 HG13 VAL A 10 -9.547 2.535 -1.909 1.00 0.49 H new ATOM 0 HG21 VAL A 10 -7.762 4.005 0.030 1.00 0.49 H new ATOM 0 HG22 VAL A 10 -9.492 3.672 0.283 1.00 0.49 H new ATOM 0 HG23 VAL A 10 -8.304 3.194 1.518 1.00 0.49 H new ATOM 154 N HIS A 11 -8.056 -1.210 0.120 1.00 0.42 N ATOM 155 CA HIS A 11 -7.798 -2.553 -0.395 1.00 0.47 C ATOM 156 C HIS A 11 -9.046 -3.410 -0.220 1.00 0.48 C ATOM 157 O HIS A 11 -9.528 -4.043 -1.156 1.00 0.50 O ATOM 158 CB HIS A 11 -6.635 -3.227 0.344 1.00 0.48 C ATOM 159 CG HIS A 11 -5.271 -2.692 0.008 1.00 0.50 C ATOM 160 ND1 HIS A 11 -4.743 -1.495 0.426 1.00 0.57 N ATOM 161 CD2 HIS A 11 -4.280 -3.374 -0.644 1.00 0.62 C ATOM 162 CE1 HIS A 11 -3.463 -1.451 0.027 1.00 0.78 C ATOM 163 NE2 HIS A 11 -3.138 -2.569 -0.638 1.00 0.78 N ATOM 0 H HIS A 11 -7.398 -0.896 0.833 1.00 0.42 H new ATOM 0 HA HIS A 11 -7.535 -2.461 -1.449 1.00 0.47 H new ATOM 0 HB2 HIS A 11 -6.796 -3.120 1.417 1.00 0.48 H new ATOM 0 HB3 HIS A 11 -6.654 -4.294 0.123 1.00 0.48 H new ATOM 0 HD1 HIS A 11 -5.236 -0.769 0.947 1.00 0.57 H new ATOM 0 HD2 HIS A 11 -4.365 -4.357 -1.084 1.00 0.62 H new ATOM 0 HE1 HIS A 11 -2.788 -0.629 0.215 1.00 0.78 H new ATOM 171 N ASN A 12 -9.542 -3.438 1.011 1.00 0.53 N ATOM 172 CA ASN A 12 -10.679 -4.234 1.417 1.00 0.58 C ATOM 173 C ASN A 12 -11.912 -3.825 0.618 1.00 0.52 C ATOM 174 O ASN A 12 -12.659 -4.705 0.206 1.00 0.54 O ATOM 175 CB ASN A 12 -10.911 -4.113 2.929 1.00 0.74 C ATOM 176 CG ASN A 12 -9.979 -4.985 3.773 1.00 0.88 C ATOM 177 OD1 ASN A 12 -9.394 -5.956 3.297 1.00 1.60 O ATOM 178 ND2 ASN A 12 -9.857 -4.672 5.057 1.00 0.74 N ATOM 0 H ASN A 12 -9.147 -2.888 1.773 1.00 0.53 H new ATOM 0 HA ASN A 12 -10.476 -5.284 1.206 1.00 0.58 H new ATOM 0 HB2 ASN A 12 -10.783 -3.071 3.224 1.00 0.74 H new ATOM 0 HB3 ASN A 12 -11.944 -4.382 3.151 1.00 0.74 H new ATOM 0 HD21 ASN A 12 -9.270 -5.241 5.667 1.00 0.74 H new ATOM 0 HD22 ASN A 12 -10.350 -3.863 5.434 1.00 0.74 H new ATOM 185 N ASP A 13 -12.119 -2.530 0.367 1.00 0.49 N ATOM 186 CA ASP A 13 -13.140 -2.062 -0.569 1.00 0.47 C ATOM 187 C ASP A 13 -13.001 -2.710 -1.933 1.00 0.43 C ATOM 188 O ASP A 13 -13.909 -3.387 -2.397 1.00 0.49 O ATOM 189 CB ASP A 13 -13.127 -0.536 -0.726 1.00 0.47 C ATOM 190 CG ASP A 13 -14.513 0.060 -0.731 1.00 0.61 C ATOM 191 OD1 ASP A 13 -15.238 -0.102 -1.738 1.00 1.42 O ATOM 192 OD2 ASP A 13 -14.810 0.811 0.223 1.00 1.91 O ATOM 0 H ASP A 13 -11.585 -1.780 0.806 1.00 0.49 H new ATOM 0 HA ASP A 13 -14.096 -2.358 -0.136 1.00 0.47 H new ATOM 0 HB2 ASP A 13 -12.550 -0.096 0.087 1.00 0.47 H new ATOM 0 HB3 ASP A 13 -12.620 -0.275 -1.655 1.00 0.47 H new ATOM 197 N ALA A 14 -11.863 -2.494 -2.591 1.00 0.39 N ATOM 198 CA ALA A 14 -11.650 -2.992 -3.941 1.00 0.40 C ATOM 199 C ALA A 14 -11.905 -4.499 -3.985 1.00 0.39 C ATOM 200 O ALA A 14 -12.635 -4.984 -4.842 1.00 0.50 O ATOM 201 CB ALA A 14 -10.239 -2.628 -4.412 1.00 0.46 C ATOM 0 H ALA A 14 -11.074 -1.975 -2.206 1.00 0.39 H new ATOM 0 HA ALA A 14 -12.355 -2.522 -4.627 1.00 0.40 H new ATOM 0 HB1 ALA A 14 -10.085 -3.003 -5.424 1.00 0.46 H new ATOM 0 HB2 ALA A 14 -10.121 -1.544 -4.405 1.00 0.46 H new ATOM 0 HB3 ALA A 14 -9.505 -3.077 -3.743 1.00 0.46 H new ATOM 207 N ARG A 15 -11.330 -5.231 -3.032 1.00 0.41 N ATOM 208 CA ARG A 15 -11.534 -6.663 -2.888 1.00 0.45 C ATOM 209 C ARG A 15 -13.025 -6.976 -2.734 1.00 0.48 C ATOM 210 O ARG A 15 -13.562 -7.800 -3.470 1.00 0.54 O ATOM 211 CB ARG A 15 -10.662 -7.187 -1.735 1.00 0.49 C ATOM 212 CG ARG A 15 -9.184 -7.107 -2.152 1.00 0.56 C ATOM 213 CD ARG A 15 -8.190 -7.242 -0.993 1.00 0.95 C ATOM 214 NE ARG A 15 -7.912 -8.648 -0.660 1.00 1.01 N ATOM 215 CZ ARG A 15 -6.801 -9.338 -0.967 1.00 1.91 C ATOM 216 NH1 ARG A 15 -5.929 -8.865 -1.864 1.00 3.20 N ATOM 217 NH2 ARG A 15 -6.565 -10.492 -0.342 1.00 2.65 N ATOM 0 H ARG A 15 -10.702 -4.837 -2.332 1.00 0.41 H new ATOM 0 HA ARG A 15 -11.215 -7.190 -3.787 1.00 0.45 H new ATOM 0 HB2 ARG A 15 -10.832 -6.596 -0.835 1.00 0.49 H new ATOM 0 HB3 ARG A 15 -10.931 -8.216 -1.496 1.00 0.49 H new ATOM 0 HG2 ARG A 15 -8.982 -7.892 -2.881 1.00 0.56 H new ATOM 0 HG3 ARG A 15 -9.012 -6.154 -2.653 1.00 0.56 H new ATOM 0 HD2 ARG A 15 -7.258 -6.742 -1.256 1.00 0.95 H new ATOM 0 HD3 ARG A 15 -8.588 -6.734 -0.114 1.00 0.95 H new ATOM 0 HE ARG A 15 -8.635 -9.149 -0.144 1.00 1.01 H new ATOM 0 HH11 ARG A 15 -6.104 -7.971 -2.323 1.00 3.20 H new ATOM 0 HH12 ARG A 15 -5.089 -9.398 -2.089 1.00 3.20 H new ATOM 0 HH21 ARG A 15 -7.223 -10.838 0.357 1.00 2.65 H new ATOM 0 HH22 ARG A 15 -5.726 -11.029 -0.562 1.00 2.65 H new ATOM 231 N ALA A 16 -13.714 -6.291 -1.824 1.00 0.51 N ATOM 232 CA ALA A 16 -15.142 -6.465 -1.606 1.00 0.59 C ATOM 233 C ALA A 16 -15.917 -6.272 -2.908 1.00 0.57 C ATOM 234 O ALA A 16 -16.826 -7.043 -3.215 1.00 0.64 O ATOM 235 CB ALA A 16 -15.642 -5.488 -0.536 1.00 0.71 C ATOM 0 H ALA A 16 -13.289 -5.593 -1.213 1.00 0.51 H new ATOM 0 HA ALA A 16 -15.312 -7.483 -1.255 1.00 0.59 H new ATOM 0 HB1 ALA A 16 -16.712 -5.631 -0.384 1.00 0.71 H new ATOM 0 HB2 ALA A 16 -15.115 -5.673 0.400 1.00 0.71 H new ATOM 0 HB3 ALA A 16 -15.455 -4.465 -0.862 1.00 0.71 H new ATOM 241 N GLN A 17 -15.568 -5.248 -3.687 1.00 0.55 N ATOM 242 CA GLN A 17 -16.245 -4.932 -4.934 1.00 0.66 C ATOM 243 C GLN A 17 -16.173 -6.075 -5.947 1.00 0.69 C ATOM 244 O GLN A 17 -17.033 -6.154 -6.824 1.00 0.94 O ATOM 245 CB GLN A 17 -15.738 -3.610 -5.525 1.00 0.80 C ATOM 246 CG GLN A 17 -16.201 -2.420 -4.674 1.00 1.38 C ATOM 247 CD GLN A 17 -15.902 -1.072 -5.320 1.00 1.47 C ATOM 248 OE1 GLN A 17 -15.854 -0.955 -6.543 1.00 2.17 O ATOM 249 NE2 GLN A 17 -15.699 -0.031 -4.519 1.00 1.92 N ATOM 0 H GLN A 17 -14.801 -4.613 -3.464 1.00 0.55 H new ATOM 0 HA GLN A 17 -17.301 -4.803 -4.696 1.00 0.66 H new ATOM 0 HB2 GLN A 17 -14.649 -3.624 -5.578 1.00 0.80 H new ATOM 0 HB3 GLN A 17 -16.105 -3.498 -6.545 1.00 0.80 H new ATOM 0 HG2 GLN A 17 -17.274 -2.502 -4.498 1.00 1.38 H new ATOM 0 HG3 GLN A 17 -15.714 -2.466 -3.700 1.00 1.38 H new ATOM 0 HE21 GLN A 17 -15.743 -0.150 -3.507 1.00 1.92 H new ATOM 0 HE22 GLN A 17 -15.499 0.887 -4.916 1.00 1.92 H new ATOM 258 N VAL A 18 -15.195 -6.971 -5.836 1.00 0.55 N ATOM 259 CA VAL A 18 -15.114 -8.155 -6.681 1.00 0.61 C ATOM 260 C VAL A 18 -15.212 -9.439 -5.853 1.00 0.61 C ATOM 261 O VAL A 18 -14.851 -10.516 -6.325 1.00 0.85 O ATOM 262 CB VAL A 18 -13.866 -8.063 -7.563 1.00 0.76 C ATOM 263 CG1 VAL A 18 -14.086 -6.946 -8.592 1.00 1.03 C ATOM 264 CG2 VAL A 18 -12.596 -7.755 -6.758 1.00 0.70 C ATOM 0 H VAL A 18 -14.438 -6.895 -5.157 1.00 0.55 H new ATOM 0 HA VAL A 18 -15.972 -8.197 -7.353 1.00 0.61 H new ATOM 0 HB VAL A 18 -13.720 -9.031 -8.042 1.00 0.76 H new ATOM 0 HG11 VAL A 18 -13.208 -6.863 -9.232 1.00 1.03 H new ATOM 0 HG12 VAL A 18 -14.959 -7.180 -9.202 1.00 1.03 H new ATOM 0 HG13 VAL A 18 -14.248 -6.001 -8.074 1.00 1.03 H new ATOM 0 HG21 VAL A 18 -11.742 -7.701 -7.433 1.00 0.70 H new ATOM 0 HG22 VAL A 18 -12.713 -6.801 -6.244 1.00 0.70 H new ATOM 0 HG23 VAL A 18 -12.430 -8.544 -6.025 1.00 0.70 H new ATOM 274 N GLY A 19 -15.753 -9.338 -4.638 1.00 0.52 N ATOM 275 CA GLY A 19 -15.954 -10.453 -3.732 1.00 0.56 C ATOM 276 C GLY A 19 -14.693 -11.292 -3.552 1.00 0.63 C ATOM 277 O GLY A 19 -14.751 -12.521 -3.589 1.00 0.88 O ATOM 0 H GLY A 19 -16.070 -8.449 -4.253 1.00 0.52 H new ATOM 0 HA2 GLY A 19 -16.277 -10.075 -2.762 1.00 0.56 H new ATOM 0 HA3 GLY A 19 -16.757 -11.085 -4.111 1.00 0.56 H new ATOM 281 N VAL A 20 -13.547 -10.645 -3.370 1.00 0.58 N ATOM 282 CA VAL A 20 -12.307 -11.297 -2.996 1.00 0.64 C ATOM 283 C VAL A 20 -12.156 -11.149 -1.481 1.00 0.68 C ATOM 284 O VAL A 20 -12.517 -10.109 -0.929 1.00 0.72 O ATOM 285 CB VAL A 20 -11.135 -10.657 -3.756 1.00 0.65 C ATOM 286 CG1 VAL A 20 -9.818 -11.278 -3.290 1.00 0.80 C ATOM 287 CG2 VAL A 20 -11.250 -10.864 -5.273 1.00 0.70 C ATOM 0 H VAL A 20 -13.457 -9.635 -3.481 1.00 0.58 H new ATOM 0 HA VAL A 20 -12.314 -12.355 -3.257 1.00 0.64 H new ATOM 0 HB VAL A 20 -11.162 -9.588 -3.545 1.00 0.65 H new ATOM 0 HG11 VAL A 20 -8.989 -10.822 -3.831 1.00 0.80 H new ATOM 0 HG12 VAL A 20 -9.692 -11.105 -2.221 1.00 0.80 H new ATOM 0 HG13 VAL A 20 -9.832 -12.350 -3.485 1.00 0.80 H new ATOM 0 HG21 VAL A 20 -10.400 -10.395 -5.770 1.00 0.70 H new ATOM 0 HG22 VAL A 20 -11.257 -11.931 -5.495 1.00 0.70 H new ATOM 0 HG23 VAL A 20 -12.175 -10.413 -5.633 1.00 0.70 H new ATOM 297 N GLY A 21 -11.644 -12.182 -0.811 1.00 0.77 N ATOM 298 CA GLY A 21 -11.369 -12.181 0.619 1.00 0.90 C ATOM 299 C GLY A 21 -10.450 -11.027 1.044 1.00 0.89 C ATOM 300 O GLY A 21 -9.823 -10.378 0.201 1.00 0.88 O ATOM 0 H GLY A 21 -11.404 -13.064 -1.264 1.00 0.77 H new ATOM 0 HA2 GLY A 21 -12.309 -12.112 1.166 1.00 0.90 H new ATOM 0 HA3 GLY A 21 -10.908 -13.129 0.897 1.00 0.90 H new ATOM 304 N PRO A 22 -10.349 -10.761 2.351 1.00 1.04 N ATOM 305 CA PRO A 22 -9.746 -9.556 2.889 1.00 0.95 C ATOM 306 C PRO A 22 -8.222 -9.698 2.922 1.00 1.14 C ATOM 307 O PRO A 22 -7.641 -10.489 2.174 1.00 1.59 O ATOM 308 CB PRO A 22 -10.372 -9.433 4.285 1.00 1.16 C ATOM 309 CG PRO A 22 -10.513 -10.891 4.722 1.00 1.58 C ATOM 310 CD PRO A 22 -10.912 -11.572 3.415 1.00 1.45 C ATOM 0 HA PRO A 22 -9.929 -8.661 2.294 1.00 0.95 H new ATOM 0 HB2 PRO A 22 -9.736 -8.867 4.965 1.00 1.16 H new ATOM 0 HB3 PRO A 22 -11.336 -8.925 4.253 1.00 1.16 H new ATOM 0 HG2 PRO A 22 -9.581 -11.290 5.123 1.00 1.58 H new ATOM 0 HG3 PRO A 22 -11.271 -11.014 5.495 1.00 1.58 H new ATOM 0 HD2 PRO A 22 -10.528 -12.591 3.373 1.00 1.45 H new ATOM 0 HD3 PRO A 22 -11.996 -11.636 3.324 1.00 1.45 H new ATOM 318 N MET A 23 -7.573 -8.915 3.782 1.00 0.94 N ATOM 319 CA MET A 23 -6.180 -9.035 4.176 1.00 0.98 C ATOM 320 C MET A 23 -6.056 -8.459 5.593 1.00 0.90 C ATOM 321 O MET A 23 -7.021 -7.864 6.091 1.00 0.89 O ATOM 322 CB MET A 23 -5.247 -8.351 3.160 1.00 0.95 C ATOM 323 CG MET A 23 -5.958 -7.421 2.163 1.00 1.08 C ATOM 324 SD MET A 23 -4.927 -6.565 0.948 1.00 1.31 S ATOM 325 CE MET A 23 -3.700 -7.828 0.566 1.00 1.18 C ATOM 0 H MET A 23 -8.038 -8.135 4.247 1.00 0.94 H new ATOM 0 HA MET A 23 -5.865 -10.079 4.185 1.00 0.98 H new ATOM 0 HB2 MET A 23 -4.499 -7.775 3.704 1.00 0.95 H new ATOM 0 HB3 MET A 23 -4.713 -9.120 2.602 1.00 0.95 H new ATOM 0 HG2 MET A 23 -6.699 -8.010 1.622 1.00 1.08 H new ATOM 0 HG3 MET A 23 -6.503 -6.669 2.733 1.00 1.08 H new ATOM 0 HE1 MET A 23 -3.192 -7.572 -0.364 1.00 1.18 H new ATOM 0 HE2 MET A 23 -2.971 -7.884 1.375 1.00 1.18 H new ATOM 0 HE3 MET A 23 -4.194 -8.793 0.455 1.00 1.18 H new ATOM 335 N SER A 24 -4.900 -8.642 6.237 1.00 0.94 N ATOM 336 CA SER A 24 -4.616 -8.135 7.575 1.00 0.86 C ATOM 337 C SER A 24 -3.347 -7.294 7.530 1.00 0.69 C ATOM 338 O SER A 24 -2.605 -7.319 6.550 1.00 0.79 O ATOM 339 CB SER A 24 -4.535 -9.283 8.597 1.00 1.19 C ATOM 340 OG SER A 24 -3.353 -9.334 9.375 1.00 0.97 O ATOM 0 H SER A 24 -4.120 -9.159 5.830 1.00 0.94 H new ATOM 0 HA SER A 24 -5.433 -7.495 7.909 1.00 0.86 H new ATOM 0 HB2 SER A 24 -5.388 -9.205 9.271 1.00 1.19 H new ATOM 0 HB3 SER A 24 -4.637 -10.228 8.063 1.00 1.19 H new ATOM 0 HG SER A 24 -3.400 -10.094 9.992 1.00 0.97 H new ATOM 346 N TRP A 25 -3.114 -6.564 8.614 1.00 0.56 N ATOM 347 CA TRP A 25 -1.926 -5.761 8.822 1.00 0.46 C ATOM 348 C TRP A 25 -0.914 -6.605 9.585 1.00 0.59 C ATOM 349 O TRP A 25 -1.180 -6.969 10.735 1.00 1.10 O ATOM 350 CB TRP A 25 -2.247 -4.515 9.656 1.00 0.39 C ATOM 351 CG TRP A 25 -1.281 -3.406 9.420 1.00 0.37 C ATOM 352 CD1 TRP A 25 -0.397 -2.866 10.288 1.00 0.47 C ATOM 353 CD2 TRP A 25 -1.128 -2.676 8.180 1.00 0.38 C ATOM 354 NE1 TRP A 25 0.285 -1.842 9.657 1.00 0.46 N ATOM 355 CE2 TRP A 25 -0.154 -1.656 8.359 1.00 0.38 C ATOM 356 CE3 TRP A 25 -1.749 -2.774 6.923 1.00 0.54 C ATOM 357 CZ2 TRP A 25 0.141 -0.728 7.348 1.00 0.41 C ATOM 358 CZ3 TRP A 25 -1.441 -1.876 5.898 1.00 0.61 C ATOM 359 CH2 TRP A 25 -0.548 -0.816 6.126 1.00 0.49 C ATOM 0 H TRP A 25 -3.770 -6.516 9.394 1.00 0.56 H new ATOM 0 HA TRP A 25 -1.535 -5.444 7.855 1.00 0.46 H new ATOM 0 HB2 TRP A 25 -3.254 -4.172 9.418 1.00 0.39 H new ATOM 0 HB3 TRP A 25 -2.241 -4.778 10.714 1.00 0.39 H new ATOM 0 HD1 TRP A 25 -0.247 -3.183 11.310 1.00 0.47 H new ATOM 0 HE1 TRP A 25 1.023 -1.291 10.096 1.00 0.46 H new ATOM 0 HE3 TRP A 25 -2.474 -3.554 6.747 1.00 0.54 H new ATOM 0 HZ2 TRP A 25 0.884 0.040 7.506 1.00 0.41 H new ATOM 0 HZ3 TRP A 25 -1.892 -1.998 4.924 1.00 0.61 H new ATOM 0 HH2 TRP A 25 -0.391 -0.069 5.362 1.00 0.49 H new ATOM 370 N ASP A 26 0.260 -6.852 9.005 1.00 0.69 N ATOM 371 CA ASP A 26 1.301 -7.638 9.672 1.00 0.85 C ATOM 372 C ASP A 26 2.193 -6.871 10.638 1.00 1.49 C ATOM 373 O ASP A 26 2.953 -7.433 11.424 1.00 3.51 O ATOM 374 CB ASP A 26 2.121 -8.377 8.615 1.00 0.83 C ATOM 375 CG ASP A 26 3.332 -9.067 9.190 1.00 2.17 C ATOM 376 OD1 ASP A 26 3.156 -10.151 9.782 1.00 3.30 O ATOM 377 OD2 ASP A 26 4.438 -8.503 9.061 1.00 3.15 O ATOM 0 H ASP A 26 0.515 -6.520 8.075 1.00 0.69 H new ATOM 0 HA ASP A 26 0.780 -8.343 10.320 1.00 0.85 H new ATOM 0 HB2 ASP A 26 1.488 -9.115 8.122 1.00 0.83 H new ATOM 0 HB3 ASP A 26 2.441 -7.669 7.850 1.00 0.83 H new ATOM 382 N ALA A 27 2.039 -5.567 10.595 1.00 0.82 N ATOM 383 CA ALA A 27 2.803 -4.532 11.285 1.00 1.02 C ATOM 384 C ALA A 27 4.282 -4.513 10.868 1.00 1.08 C ATOM 385 O ALA A 27 4.799 -3.467 10.472 1.00 1.23 O ATOM 386 CB ALA A 27 2.629 -4.644 12.801 1.00 1.29 C ATOM 0 H ALA A 27 1.304 -5.156 10.020 1.00 0.82 H new ATOM 0 HA ALA A 27 2.396 -3.569 10.976 1.00 1.02 H new ATOM 0 HB1 ALA A 27 3.208 -3.862 13.292 1.00 1.29 H new ATOM 0 HB2 ALA A 27 1.575 -4.530 13.056 1.00 1.29 H new ATOM 0 HB3 ALA A 27 2.980 -5.620 13.136 1.00 1.29 H new ATOM 392 N ASN A 28 4.974 -5.650 10.927 1.00 1.15 N ATOM 393 CA ASN A 28 6.352 -5.769 10.473 1.00 1.33 C ATOM 394 C ASN A 28 6.429 -5.538 8.973 1.00 1.08 C ATOM 395 O ASN A 28 7.300 -4.797 8.538 1.00 1.12 O ATOM 396 CB ASN A 28 6.974 -7.122 10.826 1.00 1.66 C ATOM 397 CG ASN A 28 7.564 -7.179 12.225 1.00 2.26 C ATOM 398 OD1 ASN A 28 7.300 -6.320 13.064 1.00 3.17 O ATOM 399 ND2 ASN A 28 8.389 -8.177 12.495 1.00 2.70 N ATOM 0 H ASN A 28 4.588 -6.519 11.295 1.00 1.15 H new ATOM 0 HA ASN A 28 6.927 -5.005 10.995 1.00 1.33 H new ATOM 0 HB2 ASN A 28 6.214 -7.897 10.731 1.00 1.66 H new ATOM 0 HB3 ASN A 28 7.756 -7.352 10.102 1.00 1.66 H new ATOM 0 HD21 ASN A 28 8.822 -8.246 13.416 1.00 2.70 H new ATOM 0 HD22 ASN A 28 8.592 -8.878 11.782 1.00 2.70 H new ATOM 406 N LEU A 29 5.522 -6.089 8.163 1.00 0.90 N ATOM 407 CA LEU A 29 5.505 -5.746 6.750 1.00 0.76 C ATOM 408 C LEU A 29 5.426 -4.237 6.574 1.00 0.59 C ATOM 409 O LEU A 29 6.001 -3.689 5.642 1.00 0.54 O ATOM 410 CB LEU A 29 4.282 -6.343 6.056 1.00 0.76 C ATOM 411 CG LEU A 29 4.404 -7.811 5.661 1.00 0.80 C ATOM 412 CD1 LEU A 29 3.064 -8.246 5.066 1.00 1.00 C ATOM 413 CD2 LEU A 29 5.498 -8.023 4.609 1.00 0.81 C ATOM 0 H LEU A 29 4.809 -6.757 8.456 1.00 0.90 H new ATOM 0 HA LEU A 29 6.421 -6.144 6.312 1.00 0.76 H new ATOM 0 HB2 LEU A 29 3.421 -6.232 6.716 1.00 0.76 H new ATOM 0 HB3 LEU A 29 4.074 -5.759 5.159 1.00 0.76 H new ATOM 0 HG LEU A 29 4.666 -8.394 6.544 1.00 0.80 H new ATOM 0 HD11 LEU A 29 3.119 -9.294 4.773 1.00 1.00 H new ATOM 0 HD12 LEU A 29 2.277 -8.118 5.809 1.00 1.00 H new ATOM 0 HD13 LEU A 29 2.839 -7.636 4.191 1.00 1.00 H new ATOM 0 HD21 LEU A 29 5.556 -9.081 4.352 1.00 0.81 H new ATOM 0 HD22 LEU A 29 5.261 -7.445 3.716 1.00 0.81 H new ATOM 0 HD23 LEU A 29 6.457 -7.694 5.010 1.00 0.81 H new ATOM 425 N ALA A 30 4.674 -3.562 7.441 1.00 0.60 N ATOM 426 CA ALA A 30 4.519 -2.128 7.349 1.00 0.54 C ATOM 427 C ALA A 30 5.843 -1.437 7.675 1.00 0.69 C ATOM 428 O ALA A 30 6.246 -0.522 6.958 1.00 0.70 O ATOM 429 CB ALA A 30 3.348 -1.681 8.218 1.00 0.65 C ATOM 0 H ALA A 30 4.166 -3.994 8.213 1.00 0.60 H new ATOM 0 HA ALA A 30 4.272 -1.831 6.330 1.00 0.54 H new ATOM 0 HB1 ALA A 30 3.234 -0.599 8.146 1.00 0.65 H new ATOM 0 HB2 ALA A 30 2.434 -2.166 7.875 1.00 0.65 H new ATOM 0 HB3 ALA A 30 3.538 -1.958 9.255 1.00 0.65 H new ATOM 435 N SER A 31 6.558 -1.899 8.708 1.00 0.84 N ATOM 436 CA SER A 31 7.880 -1.398 8.998 1.00 0.95 C ATOM 437 C SER A 31 8.778 -1.595 7.778 1.00 0.87 C ATOM 438 O SER A 31 9.311 -0.619 7.261 1.00 0.98 O ATOM 439 CB SER A 31 8.415 -2.037 10.285 1.00 1.13 C ATOM 440 OG SER A 31 9.020 -3.306 10.127 1.00 1.24 O ATOM 0 H SER A 31 6.230 -2.621 9.350 1.00 0.84 H new ATOM 0 HA SER A 31 7.855 -0.325 9.190 1.00 0.95 H new ATOM 0 HB2 SER A 31 9.143 -1.359 10.731 1.00 1.13 H new ATOM 0 HB3 SER A 31 7.592 -2.132 10.993 1.00 1.13 H new ATOM 0 HG SER A 31 8.394 -3.914 9.681 1.00 1.24 H new ATOM 446 N ARG A 32 8.903 -2.836 7.301 1.00 0.82 N ATOM 447 CA ARG A 32 9.674 -3.215 6.122 1.00 0.79 C ATOM 448 C ARG A 32 9.352 -2.273 4.966 1.00 0.64 C ATOM 449 O ARG A 32 10.249 -1.677 4.386 1.00 0.68 O ATOM 450 CB ARG A 32 9.353 -4.668 5.709 1.00 0.88 C ATOM 451 CG ARG A 32 10.598 -5.530 5.449 1.00 1.39 C ATOM 452 CD ARG A 32 11.099 -6.212 6.733 1.00 2.91 C ATOM 453 NE ARG A 32 12.495 -5.860 7.053 1.00 3.95 N ATOM 454 CZ ARG A 32 13.095 -6.157 8.217 1.00 5.13 C ATOM 455 NH1 ARG A 32 12.395 -6.793 9.157 1.00 5.70 N ATOM 456 NH2 ARG A 32 14.365 -5.809 8.430 1.00 6.03 N ATOM 0 H ARG A 32 8.450 -3.634 7.746 1.00 0.82 H new ATOM 0 HA ARG A 32 10.734 -3.144 6.365 1.00 0.79 H new ATOM 0 HB2 ARG A 32 8.757 -5.135 6.493 1.00 0.88 H new ATOM 0 HB3 ARG A 32 8.739 -4.652 4.808 1.00 0.88 H new ATOM 0 HG2 ARG A 32 10.365 -6.289 4.702 1.00 1.39 H new ATOM 0 HG3 ARG A 32 11.391 -4.907 5.035 1.00 1.39 H new ATOM 0 HD2 ARG A 32 10.456 -5.927 7.566 1.00 2.91 H new ATOM 0 HD3 ARG A 32 11.017 -7.293 6.622 1.00 2.91 H new ATOM 0 HE ARG A 32 13.037 -5.361 6.348 1.00 3.95 H new ATOM 0 HH11 ARG A 32 11.422 -7.045 8.985 1.00 5.70 H new ATOM 0 HH12 ARG A 32 12.833 -7.027 10.048 1.00 5.70 H new ATOM 0 HH21 ARG A 32 14.886 -5.314 7.706 1.00 6.03 H new ATOM 0 HH22 ARG A 32 14.815 -6.038 9.317 1.00 6.03 H new ATOM 470 N ALA A 33 8.073 -2.132 4.633 1.00 0.54 N ATOM 471 CA ALA A 33 7.611 -1.311 3.532 1.00 0.53 C ATOM 472 C ALA A 33 8.080 0.128 3.726 1.00 0.55 C ATOM 473 O ALA A 33 8.654 0.720 2.813 1.00 0.59 O ATOM 474 CB ALA A 33 6.087 -1.398 3.429 1.00 0.55 C ATOM 0 H ALA A 33 7.317 -2.597 5.135 1.00 0.54 H new ATOM 0 HA ALA A 33 8.033 -1.676 2.596 1.00 0.53 H new ATOM 0 HB1 ALA A 33 5.742 -0.780 2.600 1.00 0.55 H new ATOM 0 HB2 ALA A 33 5.793 -2.433 3.256 1.00 0.55 H new ATOM 0 HB3 ALA A 33 5.639 -1.043 4.357 1.00 0.55 H new ATOM 480 N GLN A 34 7.842 0.706 4.905 1.00 0.64 N ATOM 481 CA GLN A 34 8.251 2.077 5.161 1.00 0.82 C ATOM 482 C GLN A 34 9.770 2.206 5.157 1.00 0.79 C ATOM 483 O GLN A 34 10.290 3.241 4.776 1.00 0.80 O ATOM 484 CB GLN A 34 7.662 2.635 6.466 1.00 1.21 C ATOM 485 CG GLN A 34 7.481 4.140 6.310 1.00 2.01 C ATOM 486 CD GLN A 34 7.519 4.933 7.606 1.00 1.40 C ATOM 487 OE1 GLN A 34 7.112 4.458 8.663 1.00 2.49 O ATOM 488 NE2 GLN A 34 8.029 6.153 7.540 1.00 1.72 N ATOM 0 H GLN A 34 7.373 0.247 5.686 1.00 0.64 H new ATOM 0 HA GLN A 34 7.848 2.679 4.347 1.00 0.82 H new ATOM 0 HB2 GLN A 34 6.706 2.159 6.684 1.00 1.21 H new ATOM 0 HB3 GLN A 34 8.325 2.418 7.304 1.00 1.21 H new ATOM 0 HG2 GLN A 34 8.261 4.517 5.649 1.00 2.01 H new ATOM 0 HG3 GLN A 34 6.527 4.326 5.816 1.00 2.01 H new ATOM 0 HE21 GLN A 34 8.359 6.520 6.647 1.00 1.72 H new ATOM 0 HE22 GLN A 34 8.092 6.726 8.382 1.00 1.72 H new ATOM 497 N ASN A 35 10.486 1.185 5.611 1.00 0.80 N ATOM 498 CA ASN A 35 11.934 1.200 5.782 1.00 0.90 C ATOM 499 C ASN A 35 12.591 1.116 4.408 1.00 0.70 C ATOM 500 O ASN A 35 13.493 1.887 4.086 1.00 0.75 O ATOM 501 CB ASN A 35 12.350 0.053 6.719 1.00 1.21 C ATOM 502 CG ASN A 35 12.273 0.490 8.185 1.00 1.75 C ATOM 503 OD1 ASN A 35 13.236 0.430 8.943 1.00 1.62 O ATOM 504 ND2 ASN A 35 11.121 0.964 8.638 1.00 3.29 N ATOM 0 H ASN A 35 10.063 0.296 5.879 1.00 0.80 H new ATOM 0 HA ASN A 35 12.268 2.127 6.249 1.00 0.90 H new ATOM 0 HB2 ASN A 35 11.701 -0.808 6.557 1.00 1.21 H new ATOM 0 HB3 ASN A 35 13.366 -0.265 6.483 1.00 1.21 H new ATOM 0 HD21 ASN A 35 11.043 1.274 9.607 1.00 3.29 H new ATOM 0 HD22 ASN A 35 10.313 1.019 8.018 1.00 3.29 H new ATOM 511 N TYR A 36 12.085 0.223 3.563 1.00 0.63 N ATOM 512 CA TYR A 36 12.438 0.133 2.161 1.00 0.66 C ATOM 513 C TYR A 36 12.156 1.477 1.493 1.00 0.64 C ATOM 514 O TYR A 36 13.015 2.035 0.820 1.00 0.72 O ATOM 515 CB TYR A 36 11.646 -1.004 1.499 1.00 0.74 C ATOM 516 CG TYR A 36 12.073 -1.273 0.071 1.00 0.89 C ATOM 517 CD1 TYR A 36 11.641 -0.425 -0.966 1.00 1.61 C ATOM 518 CD2 TYR A 36 13.015 -2.281 -0.201 1.00 2.28 C ATOM 519 CE1 TYR A 36 12.211 -0.531 -2.244 1.00 1.76 C ATOM 520 CE2 TYR A 36 13.554 -2.411 -1.492 1.00 2.55 C ATOM 521 CZ TYR A 36 13.201 -1.496 -2.493 1.00 1.65 C ATOM 522 OH TYR A 36 13.723 -1.642 -3.743 1.00 2.12 O ATOM 0 H TYR A 36 11.399 -0.475 3.849 1.00 0.63 H new ATOM 0 HA TYR A 36 13.498 -0.094 2.049 1.00 0.66 H new ATOM 0 HB2 TYR A 36 11.769 -1.914 2.086 1.00 0.74 H new ATOM 0 HB3 TYR A 36 10.585 -0.756 1.514 1.00 0.74 H new ATOM 0 HD1 TYR A 36 10.870 0.308 -0.778 1.00 1.61 H new ATOM 0 HD2 TYR A 36 13.324 -2.956 0.583 1.00 2.28 H new ATOM 0 HE1 TYR A 36 11.889 0.129 -3.036 1.00 1.76 H new ATOM 0 HE2 TYR A 36 14.240 -3.216 -1.713 1.00 2.55 H new ATOM 0 HH TYR A 36 14.396 -2.354 -3.735 1.00 2.12 H new ATOM 532 N ALA A 37 10.945 2.006 1.672 1.00 0.62 N ATOM 533 CA ALA A 37 10.575 3.301 1.122 1.00 0.73 C ATOM 534 C ALA A 37 11.531 4.386 1.619 1.00 0.79 C ATOM 535 O ALA A 37 11.956 5.237 0.852 1.00 0.98 O ATOM 536 CB ALA A 37 9.126 3.635 1.490 1.00 0.80 C ATOM 0 H ALA A 37 10.201 1.549 2.199 1.00 0.62 H new ATOM 0 HA ALA A 37 10.651 3.258 0.036 1.00 0.73 H new ATOM 0 HB1 ALA A 37 8.859 4.606 1.073 1.00 0.80 H new ATOM 0 HB2 ALA A 37 8.462 2.872 1.084 1.00 0.80 H new ATOM 0 HB3 ALA A 37 9.024 3.665 2.575 1.00 0.80 H new ATOM 542 N ASN A 38 11.858 4.362 2.907 1.00 0.71 N ATOM 543 CA ASN A 38 12.692 5.344 3.586 1.00 0.90 C ATOM 544 C ASN A 38 14.081 5.349 2.967 1.00 0.93 C ATOM 545 O ASN A 38 14.597 6.407 2.617 1.00 1.08 O ATOM 546 CB ASN A 38 12.728 5.081 5.099 1.00 1.03 C ATOM 547 CG ASN A 38 11.585 5.716 5.897 1.00 1.32 C ATOM 548 OD1 ASN A 38 10.999 6.720 5.504 1.00 2.07 O ATOM 549 ND2 ASN A 38 11.251 5.152 7.054 1.00 1.39 N ATOM 0 H ASN A 38 11.534 3.624 3.532 1.00 0.71 H new ATOM 0 HA ASN A 38 12.263 6.337 3.454 1.00 0.90 H new ATOM 0 HB2 ASN A 38 12.712 4.004 5.265 1.00 1.03 H new ATOM 0 HB3 ASN A 38 13.675 5.450 5.494 1.00 1.03 H new ATOM 0 HD21 ASN A 38 10.504 5.554 7.620 1.00 1.39 H new ATOM 0 HD22 ASN A 38 11.742 4.318 7.375 1.00 1.39 H new ATOM 556 N SER A 39 14.691 4.180 2.792 1.00 0.88 N ATOM 557 CA SER A 39 15.981 4.096 2.127 1.00 1.07 C ATOM 558 C SER A 39 15.848 4.530 0.662 1.00 1.22 C ATOM 559 O SER A 39 16.561 5.414 0.186 1.00 1.77 O ATOM 560 CB SER A 39 16.556 2.683 2.277 1.00 1.11 C ATOM 561 OG SER A 39 15.540 1.697 2.167 1.00 1.80 O ATOM 0 H SER A 39 14.313 3.284 3.101 1.00 0.88 H new ATOM 0 HA SER A 39 16.687 4.780 2.598 1.00 1.07 H new ATOM 0 HB2 SER A 39 17.314 2.514 1.512 1.00 1.11 H new ATOM 0 HB3 SER A 39 17.052 2.591 3.243 1.00 1.11 H new ATOM 0 HG SER A 39 14.833 2.021 1.571 1.00 1.80 H new ATOM 567 N ARG A 40 14.889 3.958 -0.067 1.00 1.06 N ATOM 568 CA ARG A 40 14.823 4.083 -1.512 1.00 1.32 C ATOM 569 C ARG A 40 14.360 5.495 -1.883 1.00 1.53 C ATOM 570 O ARG A 40 14.630 5.955 -2.986 1.00 1.75 O ATOM 571 CB ARG A 40 13.857 3.006 -2.036 1.00 1.54 C ATOM 572 CG ARG A 40 13.503 3.067 -3.530 1.00 2.08 C ATOM 573 CD ARG A 40 14.446 2.337 -4.494 1.00 1.73 C ATOM 574 NE ARG A 40 15.868 2.627 -4.265 1.00 1.99 N ATOM 575 CZ ARG A 40 16.834 1.779 -4.646 1.00 2.93 C ATOM 576 NH1 ARG A 40 16.568 0.904 -5.614 1.00 3.41 N ATOM 577 NH2 ARG A 40 18.023 1.814 -4.054 1.00 4.16 N ATOM 0 H ARG A 40 14.138 3.396 0.334 1.00 1.06 H new ATOM 0 HA ARG A 40 15.801 3.933 -1.968 1.00 1.32 H new ATOM 0 HB2 ARG A 40 14.292 2.028 -1.829 1.00 1.54 H new ATOM 0 HB3 ARG A 40 12.932 3.071 -1.464 1.00 1.54 H new ATOM 0 HG2 ARG A 40 12.501 2.657 -3.659 1.00 2.08 H new ATOM 0 HG3 ARG A 40 13.459 4.115 -3.826 1.00 2.08 H new ATOM 0 HD2 ARG A 40 14.284 1.263 -4.402 1.00 1.73 H new ATOM 0 HD3 ARG A 40 14.189 2.612 -5.517 1.00 1.73 H new ATOM 0 HE ARG A 40 16.128 3.498 -3.803 1.00 1.99 H new ATOM 0 HH11 ARG A 40 15.645 0.889 -6.049 1.00 3.41 H new ATOM 0 HH12 ARG A 40 17.287 0.249 -5.921 1.00 3.41 H new ATOM 0 HH21 ARG A 40 18.202 2.487 -3.308 1.00 4.16 H new ATOM 0 HH22 ARG A 40 18.757 1.168 -4.345 1.00 4.16 H new ATOM 591 N ALA A 41 13.715 6.210 -0.966 1.00 2.04 N ATOM 592 CA ALA A 41 13.359 7.611 -1.098 1.00 2.11 C ATOM 593 C ALA A 41 14.565 8.502 -1.422 1.00 1.90 C ATOM 594 O ALA A 41 14.389 9.555 -2.036 1.00 2.53 O ATOM 595 CB ALA A 41 12.671 8.061 0.189 1.00 2.57 C ATOM 0 H ALA A 41 13.416 5.809 -0.077 1.00 2.04 H new ATOM 0 HA ALA A 41 12.679 7.716 -1.944 1.00 2.11 H new ATOM 0 HB1 ALA A 41 12.397 9.113 0.106 1.00 2.57 H new ATOM 0 HB2 ALA A 41 11.774 7.463 0.350 1.00 2.57 H new ATOM 0 HB3 ALA A 41 13.351 7.928 1.031 1.00 2.57 H new ATOM 601 N GLY A 42 15.784 8.099 -1.049 1.00 1.75 N ATOM 602 CA GLY A 42 16.988 8.813 -1.469 1.00 1.80 C ATOM 603 C GLY A 42 17.149 8.834 -2.995 1.00 1.48 C ATOM 604 O GLY A 42 17.858 9.686 -3.530 1.00 1.66 O ATOM 0 H GLY A 42 15.960 7.285 -0.460 1.00 1.75 H new ATOM 0 HA2 GLY A 42 16.950 9.836 -1.096 1.00 1.80 H new ATOM 0 HA3 GLY A 42 17.862 8.342 -1.020 1.00 1.80 H new ATOM 608 N ASP A 43 16.477 7.917 -3.698 1.00 1.35 N ATOM 609 CA ASP A 43 16.361 7.895 -5.149 1.00 1.39 C ATOM 610 C ASP A 43 14.969 8.394 -5.532 1.00 1.56 C ATOM 611 O ASP A 43 14.850 9.406 -6.209 1.00 2.56 O ATOM 612 CB ASP A 43 16.598 6.468 -5.673 1.00 1.93 C ATOM 613 CG ASP A 43 16.464 6.376 -7.177 1.00 2.66 C ATOM 614 OD1 ASP A 43 16.381 7.422 -7.849 1.00 3.86 O ATOM 615 OD2 ASP A 43 16.514 5.250 -7.709 1.00 3.25 O ATOM 0 H ASP A 43 15.983 7.145 -3.251 1.00 1.35 H new ATOM 0 HA ASP A 43 17.112 8.544 -5.598 1.00 1.39 H new ATOM 0 HB2 ASP A 43 17.594 6.137 -5.379 1.00 1.93 H new ATOM 0 HB3 ASP A 43 15.885 5.789 -5.205 1.00 1.93 H new ATOM 620 N CYS A 44 13.928 7.685 -5.086 1.00 1.34 N ATOM 621 CA CYS A 44 12.489 7.933 -5.287 1.00 1.67 C ATOM 622 C CYS A 44 11.869 6.951 -6.285 1.00 1.41 C ATOM 623 O CYS A 44 10.648 6.833 -6.366 1.00 1.96 O ATOM 624 CB CYS A 44 12.123 9.365 -5.697 1.00 2.26 C ATOM 625 SG CYS A 44 10.386 9.849 -5.443 1.00 3.09 S ATOM 0 H CYS A 44 14.080 6.847 -4.524 1.00 1.34 H new ATOM 0 HA CYS A 44 12.067 7.776 -4.294 1.00 1.67 H new ATOM 0 HB2 CYS A 44 12.757 10.055 -5.139 1.00 2.26 H new ATOM 0 HB3 CYS A 44 12.364 9.493 -6.752 1.00 2.26 H new ATOM 630 N ASN A 45 12.697 6.220 -7.036 1.00 1.39 N ATOM 631 CA ASN A 45 12.238 5.446 -8.187 1.00 1.73 C ATOM 632 C ASN A 45 11.268 4.347 -7.769 1.00 1.56 C ATOM 633 O ASN A 45 11.468 3.698 -6.742 1.00 2.25 O ATOM 634 CB ASN A 45 13.427 4.771 -8.887 1.00 2.21 C ATOM 635 CG ASN A 45 13.957 5.551 -10.080 1.00 3.05 C ATOM 636 OD1 ASN A 45 13.232 5.784 -11.038 1.00 4.00 O ATOM 637 ND2 ASN A 45 15.231 5.896 -10.099 1.00 3.50 N ATOM 0 H ASN A 45 13.700 6.150 -6.862 1.00 1.39 H new ATOM 0 HA ASN A 45 11.738 6.144 -8.858 1.00 1.73 H new ATOM 0 HB2 ASN A 45 14.233 4.636 -8.166 1.00 2.21 H new ATOM 0 HB3 ASN A 45 13.126 3.777 -9.219 1.00 2.21 H new ATOM 0 HD21 ASN A 45 15.621 6.362 -10.918 1.00 3.50 H new ATOM 0 HD22 ASN A 45 15.825 5.697 -9.294 1.00 3.50 H new ATOM 644 N LEU A 46 10.251 4.099 -8.597 1.00 1.49 N ATOM 645 CA LEU A 46 9.303 3.004 -8.424 1.00 1.36 C ATOM 646 C LEU A 46 10.021 1.677 -8.697 1.00 1.44 C ATOM 647 O LEU A 46 9.834 1.066 -9.753 1.00 1.69 O ATOM 648 CB LEU A 46 8.107 3.201 -9.375 1.00 1.63 C ATOM 649 CG LEU A 46 7.188 4.369 -8.985 1.00 1.54 C ATOM 650 CD1 LEU A 46 6.310 4.760 -10.175 1.00 1.89 C ATOM 651 CD2 LEU A 46 6.244 3.981 -7.848 1.00 1.71 C ATOM 0 H LEU A 46 10.062 4.667 -9.423 1.00 1.49 H new ATOM 0 HA LEU A 46 8.921 2.989 -7.403 1.00 1.36 H new ATOM 0 HB2 LEU A 46 8.482 3.368 -10.385 1.00 1.63 H new ATOM 0 HB3 LEU A 46 7.520 2.283 -9.400 1.00 1.63 H new ATOM 0 HG LEU A 46 7.832 5.191 -8.673 1.00 1.54 H new ATOM 0 HD11 LEU A 46 5.661 5.589 -9.892 1.00 1.89 H new ATOM 0 HD12 LEU A 46 6.942 5.063 -11.010 1.00 1.89 H new ATOM 0 HD13 LEU A 46 5.700 3.907 -10.473 1.00 1.89 H new ATOM 0 HD21 LEU A 46 5.608 4.830 -7.597 1.00 1.71 H new ATOM 0 HD22 LEU A 46 5.622 3.142 -8.161 1.00 1.71 H new ATOM 0 HD23 LEU A 46 6.827 3.693 -6.973 1.00 1.71 H new ATOM 718 N ALA A 51 6.834 -8.334 -8.434 1.00 2.40 N ATOM 719 CA ALA A 51 5.636 -9.133 -8.226 1.00 2.14 C ATOM 720 C ALA A 51 5.508 -9.433 -6.733 1.00 1.53 C ATOM 721 O ALA A 51 6.181 -10.324 -6.208 1.00 2.25 O ATOM 722 CB ALA A 51 5.686 -10.403 -9.083 1.00 2.91 C ATOM 0 HA ALA A 51 4.748 -8.586 -8.542 1.00 2.14 H new ATOM 0 HB1 ALA A 51 4.783 -10.990 -8.916 1.00 2.91 H new ATOM 0 HB2 ALA A 51 5.752 -10.129 -10.136 1.00 2.91 H new ATOM 0 HB3 ALA A 51 6.559 -10.994 -8.807 1.00 2.91 H new ATOM 728 N GLY A 52 4.653 -8.683 -6.045 1.00 1.38 N ATOM 729 CA GLY A 52 4.340 -8.816 -4.629 1.00 0.91 C ATOM 730 C GLY A 52 4.411 -7.474 -3.890 1.00 0.73 C ATOM 731 O GLY A 52 4.613 -7.471 -2.675 1.00 1.58 O ATOM 0 H GLY A 52 4.132 -7.925 -6.486 1.00 1.38 H new ATOM 0 HA2 GLY A 52 3.341 -9.237 -4.518 1.00 0.91 H new ATOM 0 HA3 GLY A 52 5.035 -9.519 -4.170 1.00 0.91 H new ATOM 735 N GLU A 53 4.294 -6.340 -4.592 1.00 0.78 N ATOM 736 CA GLU A 53 4.345 -5.003 -4.016 1.00 0.69 C ATOM 737 C GLU A 53 3.417 -4.075 -4.803 1.00 0.81 C ATOM 738 O GLU A 53 3.003 -4.406 -5.916 1.00 1.21 O ATOM 739 CB GLU A 53 5.786 -4.479 -4.068 1.00 0.79 C ATOM 740 CG GLU A 53 6.507 -4.634 -2.721 1.00 1.14 C ATOM 741 CD GLU A 53 6.229 -3.546 -1.701 1.00 2.60 C ATOM 742 OE1 GLU A 53 5.643 -2.495 -2.045 1.00 3.93 O ATOM 743 OE2 GLU A 53 6.730 -3.741 -0.575 1.00 3.64 O ATOM 0 H GLU A 53 4.158 -6.334 -5.603 1.00 0.78 H new ATOM 0 HA GLU A 53 4.017 -5.036 -2.977 1.00 0.69 H new ATOM 0 HB2 GLU A 53 6.339 -5.016 -4.838 1.00 0.79 H new ATOM 0 HB3 GLU A 53 5.779 -3.428 -4.356 1.00 0.79 H new ATOM 0 HG2 GLU A 53 6.227 -5.594 -2.287 1.00 1.14 H new ATOM 0 HG3 GLU A 53 7.581 -4.669 -2.906 1.00 1.14 H new ATOM 750 N ASN A 54 3.096 -2.899 -4.268 1.00 0.65 N ATOM 751 CA ASN A 54 2.468 -1.831 -5.041 1.00 0.76 C ATOM 752 C ASN A 54 3.066 -0.508 -4.615 1.00 0.62 C ATOM 753 O ASN A 54 2.864 -0.051 -3.495 1.00 1.03 O ATOM 754 CB ASN A 54 0.932 -1.809 -4.939 1.00 1.00 C ATOM 755 CG ASN A 54 0.287 -2.003 -6.303 1.00 1.31 C ATOM 756 OD1 ASN A 54 -0.537 -1.213 -6.751 1.00 2.60 O ATOM 757 ND2 ASN A 54 0.719 -3.035 -7.012 1.00 2.48 N ATOM 0 H ASN A 54 3.263 -2.661 -3.290 1.00 0.65 H new ATOM 0 HA ASN A 54 2.675 -2.020 -6.094 1.00 0.76 H new ATOM 0 HB2 ASN A 54 0.599 -2.595 -4.261 1.00 1.00 H new ATOM 0 HB3 ASN A 54 0.607 -0.860 -4.512 1.00 1.00 H new ATOM 0 HD21 ASN A 54 0.366 -3.189 -7.956 1.00 2.48 H new ATOM 0 HD22 ASN A 54 1.405 -3.676 -6.614 1.00 2.48 H new ATOM 764 N LEU A 55 3.839 0.086 -5.519 1.00 0.54 N ATOM 765 CA LEU A 55 4.614 1.274 -5.240 1.00 0.59 C ATOM 766 C LEU A 55 3.911 2.477 -5.836 1.00 0.65 C ATOM 767 O LEU A 55 3.213 2.360 -6.853 1.00 0.72 O ATOM 768 CB LEU A 55 6.015 1.140 -5.844 1.00 0.85 C ATOM 769 CG LEU A 55 6.651 -0.237 -5.620 1.00 1.01 C ATOM 770 CD1 LEU A 55 7.996 -0.309 -6.347 1.00 1.32 C ATOM 771 CD2 LEU A 55 6.811 -0.485 -4.120 1.00 1.09 C ATOM 0 H LEU A 55 3.941 -0.254 -6.475 1.00 0.54 H new ATOM 0 HA LEU A 55 4.708 1.401 -4.161 1.00 0.59 H new ATOM 0 HB2 LEU A 55 5.960 1.336 -6.915 1.00 0.85 H new ATOM 0 HB3 LEU A 55 6.662 1.904 -5.413 1.00 0.85 H new ATOM 0 HG LEU A 55 6.007 -1.017 -6.028 1.00 1.01 H new ATOM 0 HD11 LEU A 55 8.445 -1.289 -6.185 1.00 1.32 H new ATOM 0 HD12 LEU A 55 7.841 -0.152 -7.415 1.00 1.32 H new ATOM 0 HD13 LEU A 55 8.661 0.463 -5.959 1.00 1.32 H new ATOM 0 HD21 LEU A 55 7.263 -1.464 -3.959 1.00 1.09 H new ATOM 0 HD22 LEU A 55 7.451 0.285 -3.690 1.00 1.09 H new ATOM 0 HD23 LEU A 55 5.833 -0.454 -3.640 1.00 1.09 H new ATOM 783 N ALA A 56 4.125 3.636 -5.230 1.00 0.68 N ATOM 784 CA ALA A 56 3.541 4.886 -5.655 1.00 0.65 C ATOM 785 C ALA A 56 4.507 6.009 -5.326 1.00 0.68 C ATOM 786 O ALA A 56 5.094 5.997 -4.249 1.00 0.74 O ATOM 787 CB ALA A 56 2.221 5.071 -4.920 1.00 0.72 C ATOM 0 H ALA A 56 4.725 3.728 -4.410 1.00 0.68 H new ATOM 0 HA ALA A 56 3.353 4.891 -6.729 1.00 0.65 H new ATOM 0 HB1 ALA A 56 1.762 6.011 -5.227 1.00 0.72 H new ATOM 0 HB2 ALA A 56 1.552 4.245 -5.161 1.00 0.72 H new ATOM 0 HB3 ALA A 56 2.402 5.090 -3.845 1.00 0.72 H new ATOM 793 N LYS A 57 4.636 6.980 -6.222 1.00 0.80 N ATOM 794 CA LYS A 57 5.203 8.273 -5.894 1.00 0.76 C ATOM 795 C LYS A 57 4.179 9.314 -6.327 1.00 1.05 C ATOM 796 O LYS A 57 3.515 9.103 -7.346 1.00 1.61 O ATOM 797 CB LYS A 57 6.600 8.443 -6.515 1.00 1.13 C ATOM 798 CG LYS A 57 6.642 8.387 -8.050 1.00 1.70 C ATOM 799 CD LYS A 57 6.497 9.797 -8.635 1.00 1.75 C ATOM 800 CE LYS A 57 6.114 9.801 -10.119 1.00 2.17 C ATOM 801 NZ LYS A 57 7.195 9.346 -11.013 1.00 3.10 N ATOM 0 H LYS A 57 4.349 6.888 -7.196 1.00 0.80 H new ATOM 0 HA LYS A 57 5.385 8.388 -4.825 1.00 0.76 H new ATOM 0 HB2 LYS A 57 7.011 9.399 -6.190 1.00 1.13 H new ATOM 0 HB3 LYS A 57 7.253 7.665 -6.120 1.00 1.13 H new ATOM 0 HG2 LYS A 57 7.582 7.943 -8.379 1.00 1.70 H new ATOM 0 HG3 LYS A 57 5.841 7.748 -8.420 1.00 1.70 H new ATOM 0 HD2 LYS A 57 5.740 10.341 -8.070 1.00 1.75 H new ATOM 0 HD3 LYS A 57 7.437 10.334 -8.508 1.00 1.75 H new ATOM 0 HE2 LYS A 57 5.243 9.161 -10.262 1.00 2.17 H new ATOM 0 HE3 LYS A 57 5.818 10.810 -10.406 1.00 2.17 H new ATOM 0 HZ1 LYS A 57 6.865 9.375 -11.999 1.00 3.10 H new ATOM 0 HZ2 LYS A 57 8.020 9.970 -10.905 1.00 3.10 H new ATOM 0 HZ3 LYS A 57 7.463 8.372 -10.766 1.00 3.10 H new ATOM 815 N GLY A 58 4.018 10.384 -5.554 1.00 0.96 N ATOM 816 CA GLY A 58 3.083 11.461 -5.857 1.00 1.32 C ATOM 817 C GLY A 58 3.833 12.777 -5.980 1.00 1.48 C ATOM 818 O GLY A 58 4.901 12.807 -6.591 1.00 2.37 O ATOM 0 H GLY A 58 4.540 10.529 -4.690 1.00 0.96 H new ATOM 0 HA2 GLY A 58 2.555 11.245 -6.786 1.00 1.32 H new ATOM 0 HA3 GLY A 58 2.331 11.533 -5.072 1.00 1.32 H new ATOM 822 N GLY A 59 3.291 13.853 -5.410 1.00 1.58 N ATOM 823 CA GLY A 59 3.834 15.195 -5.544 1.00 1.92 C ATOM 824 C GLY A 59 3.903 15.931 -4.211 1.00 1.59 C ATOM 825 O GLY A 59 4.949 16.483 -3.873 1.00 2.68 O ATOM 0 H GLY A 59 2.450 13.811 -4.835 1.00 1.58 H new ATOM 0 HA2 GLY A 59 4.833 15.138 -5.976 1.00 1.92 H new ATOM 0 HA3 GLY A 59 3.218 15.765 -6.239 1.00 1.92 H new ATOM 829 N GLY A 60 2.805 15.983 -3.457 1.00 1.40 N ATOM 830 CA GLY A 60 2.722 16.843 -2.281 1.00 1.54 C ATOM 831 C GLY A 60 1.873 16.209 -1.191 1.00 1.36 C ATOM 832 O GLY A 60 2.399 15.482 -0.351 1.00 1.94 O ATOM 0 H GLY A 60 1.962 15.439 -3.641 1.00 1.40 H new ATOM 0 HA2 GLY A 60 3.724 17.036 -1.898 1.00 1.54 H new ATOM 0 HA3 GLY A 60 2.297 17.806 -2.562 1.00 1.54 H new ATOM 836 N ASP A 61 0.559 16.430 -1.206 1.00 1.78 N ATOM 837 CA ASP A 61 -0.356 15.868 -0.214 1.00 1.94 C ATOM 838 C ASP A 61 -0.619 14.386 -0.498 1.00 1.55 C ATOM 839 O ASP A 61 -1.740 13.917 -0.354 1.00 1.80 O ATOM 840 CB ASP A 61 -1.665 16.683 -0.144 1.00 2.72 C ATOM 841 CG ASP A 61 -2.623 16.426 -1.293 1.00 3.07 C ATOM 842 OD1 ASP A 61 -2.249 16.753 -2.439 1.00 3.98 O ATOM 843 OD2 ASP A 61 -3.724 15.893 -1.047 1.00 3.51 O ATOM 0 H ASP A 61 0.098 17.006 -1.910 1.00 1.78 H new ATOM 0 HA ASP A 61 0.116 15.934 0.766 1.00 1.94 H new ATOM 0 HB2 ASP A 61 -2.171 16.455 0.794 1.00 2.72 H new ATOM 0 HB3 ASP A 61 -1.418 17.744 -0.123 1.00 2.72 H new ATOM 848 N PHE A 62 0.390 13.623 -0.910 1.00 1.16 N ATOM 849 CA PHE A 62 0.176 12.271 -1.389 1.00 1.00 C ATOM 850 C PHE A 62 0.136 11.313 -0.209 1.00 0.97 C ATOM 851 O PHE A 62 1.156 11.057 0.432 1.00 1.35 O ATOM 852 CB PHE A 62 1.256 11.889 -2.393 1.00 1.01 C ATOM 853 CG PHE A 62 0.951 10.606 -3.132 1.00 1.06 C ATOM 854 CD1 PHE A 62 -0.198 10.533 -3.940 1.00 1.73 C ATOM 855 CD2 PHE A 62 1.887 9.556 -3.148 1.00 2.84 C ATOM 856 CE1 PHE A 62 -0.405 9.426 -4.774 1.00 1.72 C ATOM 857 CE2 PHE A 62 1.701 8.468 -4.014 1.00 3.06 C ATOM 858 CZ PHE A 62 0.565 8.415 -4.843 1.00 1.56 C ATOM 0 H PHE A 62 1.365 13.924 -0.920 1.00 1.16 H new ATOM 0 HA PHE A 62 -0.782 12.212 -1.905 1.00 1.00 H new ATOM 0 HB2 PHE A 62 1.375 12.697 -3.114 1.00 1.01 H new ATOM 0 HB3 PHE A 62 2.208 11.784 -1.872 1.00 1.01 H new ATOM 0 HD1 PHE A 62 -0.923 11.333 -3.918 1.00 1.73 H new ATOM 0 HD2 PHE A 62 2.747 9.587 -2.495 1.00 2.84 H new ATOM 0 HE1 PHE A 62 -1.308 9.352 -5.362 1.00 1.72 H new ATOM 0 HE2 PHE A 62 2.429 7.671 -4.044 1.00 3.06 H new ATOM 0 HZ PHE A 62 0.440 7.594 -5.534 1.00 1.56 H new ATOM 868 N THR A 63 -1.056 10.822 0.104 1.00 1.04 N ATOM 869 CA THR A 63 -1.291 9.974 1.248 1.00 1.04 C ATOM 870 C THR A 63 -1.304 8.502 0.826 1.00 1.02 C ATOM 871 O THR A 63 -1.410 8.178 -0.355 1.00 1.64 O ATOM 872 CB THR A 63 -2.602 10.427 1.888 1.00 1.06 C ATOM 873 OG1 THR A 63 -3.703 10.238 1.015 1.00 1.06 O ATOM 874 CG2 THR A 63 -2.512 11.890 2.326 1.00 1.31 C ATOM 0 H THR A 63 -1.896 11.009 -0.444 1.00 1.04 H new ATOM 0 HA THR A 63 -0.492 10.062 1.985 1.00 1.04 H new ATOM 0 HB THR A 63 -2.767 9.807 2.769 1.00 1.06 H new ATOM 0 HG1 THR A 63 -4.227 11.065 0.965 1.00 1.06 H new ATOM 0 HG21 THR A 63 -3.456 12.193 2.779 1.00 1.31 H new ATOM 0 HG22 THR A 63 -1.708 12.003 3.053 1.00 1.31 H new ATOM 0 HG23 THR A 63 -2.308 12.518 1.458 1.00 1.31 H new ATOM 882 N GLY A 64 -1.215 7.589 1.793 1.00 0.85 N ATOM 883 CA GLY A 64 -1.318 6.169 1.501 1.00 0.72 C ATOM 884 C GLY A 64 -2.691 5.859 0.915 1.00 0.56 C ATOM 885 O GLY A 64 -2.789 5.130 -0.066 1.00 0.49 O ATOM 0 H GLY A 64 -1.073 7.811 2.778 1.00 0.85 H new ATOM 0 HA2 GLY A 64 -0.538 5.876 0.798 1.00 0.72 H new ATOM 0 HA3 GLY A 64 -1.162 5.589 2.411 1.00 0.72 H new ATOM 889 N ARG A 65 -3.752 6.431 1.493 1.00 0.58 N ATOM 890 CA ARG A 65 -5.106 6.243 0.994 1.00 0.55 C ATOM 891 C ARG A 65 -5.163 6.644 -0.478 1.00 0.53 C ATOM 892 O ARG A 65 -5.611 5.863 -1.313 1.00 0.50 O ATOM 893 CB ARG A 65 -6.126 7.044 1.818 1.00 0.65 C ATOM 894 CG ARG A 65 -7.505 6.389 1.689 1.00 0.95 C ATOM 895 CD ARG A 65 -8.668 7.314 2.057 1.00 1.19 C ATOM 896 NE ARG A 65 -8.996 8.209 0.933 1.00 2.59 N ATOM 897 CZ ARG A 65 -10.222 8.357 0.407 1.00 3.15 C ATOM 898 NH1 ARG A 65 -11.299 8.143 1.155 1.00 3.05 N ATOM 899 NH2 ARG A 65 -10.388 8.698 -0.869 1.00 4.74 N ATOM 0 H ARG A 65 -3.691 7.033 2.314 1.00 0.58 H new ATOM 0 HA ARG A 65 -5.370 5.190 1.092 1.00 0.55 H new ATOM 0 HB2 ARG A 65 -5.822 7.075 2.864 1.00 0.65 H new ATOM 0 HB3 ARG A 65 -6.166 8.075 1.467 1.00 0.65 H new ATOM 0 HG2 ARG A 65 -7.638 6.044 0.664 1.00 0.95 H new ATOM 0 HG3 ARG A 65 -7.539 5.507 2.329 1.00 0.95 H new ATOM 0 HD2 ARG A 65 -9.542 6.720 2.322 1.00 1.19 H new ATOM 0 HD3 ARG A 65 -8.406 7.905 2.935 1.00 1.19 H new ATOM 0 HE ARG A 65 -8.237 8.755 0.526 1.00 2.59 H new ATOM 0 HH11 ARG A 65 -11.195 7.866 2.131 1.00 3.05 H new ATOM 0 HH12 ARG A 65 -12.230 8.256 0.753 1.00 3.05 H new ATOM 0 HH21 ARG A 65 -9.575 8.852 -1.466 1.00 4.74 H new ATOM 0 HH22 ARG A 65 -11.328 8.806 -1.250 1.00 4.74 H new ATOM 913 N ALA A 66 -4.694 7.857 -0.785 1.00 0.59 N ATOM 914 CA ALA A 66 -4.612 8.342 -2.152 1.00 0.65 C ATOM 915 C ALA A 66 -3.831 7.373 -3.024 1.00 0.55 C ATOM 916 O ALA A 66 -4.243 7.091 -4.139 1.00 0.54 O ATOM 917 CB ALA A 66 -3.949 9.711 -2.188 1.00 0.83 C ATOM 0 H ALA A 66 -4.363 8.524 -0.088 1.00 0.59 H new ATOM 0 HA ALA A 66 -5.627 8.423 -2.542 1.00 0.65 H new ATOM 0 HB1 ALA A 66 -3.894 10.062 -3.219 1.00 0.83 H new ATOM 0 HB2 ALA A 66 -4.534 10.414 -1.596 1.00 0.83 H new ATOM 0 HB3 ALA A 66 -2.943 9.639 -1.775 1.00 0.83 H new ATOM 923 N ALA A 67 -2.710 6.847 -2.539 1.00 0.53 N ATOM 924 CA ALA A 67 -1.950 5.892 -3.320 1.00 0.50 C ATOM 925 C ALA A 67 -2.798 4.660 -3.646 1.00 0.43 C ATOM 926 O ALA A 67 -2.919 4.303 -4.812 1.00 0.44 O ATOM 927 CB ALA A 67 -0.638 5.552 -2.623 1.00 0.60 C ATOM 0 H ALA A 67 -2.317 7.065 -1.623 1.00 0.53 H new ATOM 0 HA ALA A 67 -1.684 6.342 -4.276 1.00 0.50 H new ATOM 0 HB1 ALA A 67 -0.082 4.834 -3.225 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -0.045 6.459 -2.501 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -0.847 5.120 -1.644 1.00 0.60 H new ATOM 933 N VAL A 68 -3.422 4.009 -2.663 1.00 0.41 N ATOM 934 CA VAL A 68 -4.262 2.854 -2.984 1.00 0.38 C ATOM 935 C VAL A 68 -5.351 3.258 -3.981 1.00 0.38 C ATOM 936 O VAL A 68 -5.607 2.562 -4.961 1.00 0.38 O ATOM 937 CB VAL A 68 -4.850 2.170 -1.739 1.00 0.42 C ATOM 938 CG1 VAL A 68 -5.445 0.811 -2.144 1.00 0.41 C ATOM 939 CG2 VAL A 68 -3.792 1.904 -0.669 1.00 0.47 C ATOM 0 H VAL A 68 -3.367 4.249 -1.673 1.00 0.41 H new ATOM 0 HA VAL A 68 -3.621 2.105 -3.449 1.00 0.38 H new ATOM 0 HB VAL A 68 -5.604 2.842 -1.330 1.00 0.42 H new ATOM 0 HG11 VAL A 68 -5.864 0.321 -1.265 1.00 0.41 H new ATOM 0 HG12 VAL A 68 -6.231 0.964 -2.883 1.00 0.41 H new ATOM 0 HG13 VAL A 68 -4.662 0.184 -2.571 1.00 0.41 H new ATOM 0 HG21 VAL A 68 -4.257 1.420 0.190 1.00 0.47 H new ATOM 0 HG22 VAL A 68 -3.018 1.254 -1.077 1.00 0.47 H new ATOM 0 HG23 VAL A 68 -3.346 2.848 -0.356 1.00 0.47 H new ATOM 949 N GLN A 69 -5.973 4.407 -3.750 1.00 0.44 N ATOM 950 CA GLN A 69 -6.957 4.979 -4.649 1.00 0.52 C ATOM 951 C GLN A 69 -6.396 5.155 -6.065 1.00 0.53 C ATOM 952 O GLN A 69 -7.080 4.822 -7.027 1.00 0.57 O ATOM 953 CB GLN A 69 -7.465 6.285 -4.025 1.00 0.65 C ATOM 954 CG GLN A 69 -8.520 5.976 -2.958 1.00 0.70 C ATOM 955 CD GLN A 69 -9.875 5.731 -3.605 1.00 1.28 C ATOM 956 OE1 GLN A 69 -10.280 4.593 -3.820 1.00 2.61 O ATOM 957 NE2 GLN A 69 -10.572 6.805 -3.950 1.00 1.83 N ATOM 0 H GLN A 69 -5.803 4.973 -2.919 1.00 0.44 H new ATOM 0 HA GLN A 69 -7.802 4.301 -4.771 1.00 0.52 H new ATOM 0 HB2 GLN A 69 -6.634 6.833 -3.580 1.00 0.65 H new ATOM 0 HB3 GLN A 69 -7.892 6.925 -4.797 1.00 0.65 H new ATOM 0 HG2 GLN A 69 -8.220 5.099 -2.385 1.00 0.70 H new ATOM 0 HG3 GLN A 69 -8.590 6.807 -2.256 1.00 0.70 H new ATOM 0 HE21 GLN A 69 -10.204 7.736 -3.755 1.00 1.83 H new ATOM 0 HE22 GLN A 69 -11.476 6.700 -4.410 1.00 1.83 H new ATOM 966 N LEU A 70 -5.153 5.614 -6.213 1.00 0.57 N ATOM 967 CA LEU A 70 -4.494 5.766 -7.502 1.00 0.64 C ATOM 968 C LEU A 70 -4.407 4.402 -8.177 1.00 0.61 C ATOM 969 O LEU A 70 -4.456 4.295 -9.398 1.00 0.74 O ATOM 970 CB LEU A 70 -3.100 6.390 -7.310 1.00 0.71 C ATOM 971 CG LEU A 70 -2.166 6.305 -8.530 1.00 0.81 C ATOM 972 CD1 LEU A 70 -2.699 7.120 -9.710 1.00 1.83 C ATOM 973 CD2 LEU A 70 -0.777 6.814 -8.139 1.00 1.97 C ATOM 0 H LEU A 70 -4.570 5.894 -5.425 1.00 0.57 H new ATOM 0 HA LEU A 70 -5.069 6.436 -8.142 1.00 0.64 H new ATOM 0 HB2 LEU A 70 -3.224 7.439 -7.041 1.00 0.71 H new ATOM 0 HB3 LEU A 70 -2.614 5.900 -6.467 1.00 0.71 H new ATOM 0 HG LEU A 70 -2.112 5.263 -8.844 1.00 0.81 H new ATOM 0 HD11 LEU A 70 -2.011 7.034 -10.551 1.00 1.83 H new ATOM 0 HD12 LEU A 70 -3.678 6.740 -10.001 1.00 1.83 H new ATOM 0 HD13 LEU A 70 -2.787 8.167 -9.419 1.00 1.83 H new ATOM 0 HD21 LEU A 70 -0.112 6.755 -9.001 1.00 1.97 H new ATOM 0 HD22 LEU A 70 -0.849 7.849 -7.806 1.00 1.97 H new ATOM 0 HD23 LEU A 70 -0.379 6.200 -7.331 1.00 1.97 H new ATOM 985 N TRP A 71 -4.208 3.345 -7.397 1.00 0.54 N ATOM 986 CA TRP A 71 -4.095 1.991 -7.923 1.00 0.55 C ATOM 987 C TRP A 71 -5.476 1.501 -8.360 1.00 0.55 C ATOM 988 O TRP A 71 -5.619 0.871 -9.405 1.00 0.70 O ATOM 989 CB TRP A 71 -3.406 1.083 -6.893 1.00 0.52 C ATOM 990 CG TRP A 71 -2.164 1.646 -6.257 1.00 0.52 C ATOM 991 CD1 TRP A 71 -1.460 2.708 -6.707 1.00 0.63 C ATOM 992 CD2 TRP A 71 -1.548 1.288 -4.981 1.00 0.45 C ATOM 993 NE1 TRP A 71 -0.485 3.046 -5.804 1.00 0.54 N ATOM 994 CE2 TRP A 71 -0.490 2.205 -4.713 1.00 0.45 C ATOM 995 CE3 TRP A 71 -1.824 0.333 -3.982 1.00 0.48 C ATOM 996 CZ2 TRP A 71 0.247 2.167 -3.521 1.00 0.44 C ATOM 997 CZ3 TRP A 71 -1.063 0.258 -2.804 1.00 0.53 C ATOM 998 CH2 TRP A 71 -0.022 1.173 -2.582 1.00 0.53 C ATOM 0 H TRP A 71 -4.121 3.404 -6.382 1.00 0.54 H new ATOM 0 HA TRP A 71 -3.462 1.970 -8.810 1.00 0.55 H new ATOM 0 HB2 TRP A 71 -4.122 0.849 -6.105 1.00 0.52 H new ATOM 0 HB3 TRP A 71 -3.149 0.142 -7.379 1.00 0.52 H new ATOM 0 HD1 TRP A 71 -1.639 3.217 -7.643 1.00 0.63 H new ATOM 0 HE1 TRP A 71 0.164 3.824 -5.925 1.00 0.54 H new ATOM 0 HE3 TRP A 71 -2.641 -0.358 -4.126 1.00 0.48 H new ATOM 0 HZ2 TRP A 71 1.016 2.901 -3.332 1.00 0.44 H new ATOM 0 HZ3 TRP A 71 -1.279 -0.503 -2.069 1.00 0.53 H new ATOM 0 HH2 TRP A 71 0.571 1.107 -1.682 1.00 0.53 H new ATOM 1009 N VAL A 72 -6.498 1.825 -7.571 1.00 0.47 N ATOM 1010 CA VAL A 72 -7.891 1.567 -7.902 1.00 0.54 C ATOM 1011 C VAL A 72 -8.388 2.520 -8.999 1.00 0.66 C ATOM 1012 O VAL A 72 -9.450 2.281 -9.569 1.00 0.78 O ATOM 1013 CB VAL A 72 -8.732 1.580 -6.611 1.00 0.53 C ATOM 1014 CG1 VAL A 72 -10.242 1.448 -6.848 1.00 0.68 C ATOM 1015 CG2 VAL A 72 -8.314 0.391 -5.737 1.00 0.45 C ATOM 0 H VAL A 72 -6.375 2.283 -6.668 1.00 0.47 H new ATOM 0 HA VAL A 72 -8.000 0.573 -8.335 1.00 0.54 H new ATOM 0 HB VAL A 72 -8.548 2.546 -6.142 1.00 0.53 H new ATOM 0 HG11 VAL A 72 -10.763 1.466 -5.891 1.00 0.68 H new ATOM 0 HG12 VAL A 72 -10.587 2.278 -7.465 1.00 0.68 H new ATOM 0 HG13 VAL A 72 -10.449 0.507 -7.357 1.00 0.68 H new ATOM 0 HG21 VAL A 72 -8.903 0.389 -4.820 1.00 0.45 H new ATOM 0 HG22 VAL A 72 -8.486 -0.538 -6.280 1.00 0.45 H new ATOM 0 HG23 VAL A 72 -7.256 0.476 -5.489 1.00 0.45 H new ATOM 1025 N SER A 73 -7.636 3.558 -9.381 1.00 0.73 N ATOM 1026 CA SER A 73 -7.985 4.336 -10.559 1.00 0.82 C ATOM 1027 C SER A 73 -8.133 3.451 -11.790 1.00 0.71 C ATOM 1028 O SER A 73 -8.943 3.771 -12.662 1.00 0.78 O ATOM 1029 CB SER A 73 -7.003 5.476 -10.829 1.00 1.05 C ATOM 1030 OG SER A 73 -6.977 6.363 -9.727 1.00 2.07 O ATOM 0 H SER A 73 -6.795 3.870 -8.895 1.00 0.73 H new ATOM 0 HA SER A 73 -8.952 4.792 -10.344 1.00 0.82 H new ATOM 0 HB2 SER A 73 -6.006 5.074 -11.006 1.00 1.05 H new ATOM 0 HB3 SER A 73 -7.295 6.013 -11.732 1.00 1.05 H new ATOM 0 HG SER A 73 -6.996 5.849 -8.893 1.00 2.07 H new ATOM 1036 N GLU A 74 -7.422 2.329 -11.847 1.00 0.73 N ATOM 1037 CA GLU A 74 -7.656 1.302 -12.840 1.00 0.76 C ATOM 1038 C GLU A 74 -8.963 0.516 -12.590 1.00 0.84 C ATOM 1039 O GLU A 74 -9.044 -0.651 -12.972 1.00 1.12 O ATOM 1040 CB GLU A 74 -6.436 0.366 -12.871 1.00 0.88 C ATOM 1041 CG GLU A 74 -5.158 1.019 -13.411 1.00 1.71 C ATOM 1042 CD GLU A 74 -4.316 1.770 -12.419 1.00 2.75 C ATOM 1043 OE1 GLU A 74 -4.597 2.960 -12.183 1.00 4.09 O ATOM 1044 OE2 GLU A 74 -3.253 1.243 -12.037 1.00 3.35 O ATOM 0 H GLU A 74 -6.665 2.112 -11.199 1.00 0.73 H new ATOM 0 HA GLU A 74 -7.784 1.780 -13.811 1.00 0.76 H new ATOM 0 HB2 GLU A 74 -6.246 0.001 -11.862 1.00 0.88 H new ATOM 0 HB3 GLU A 74 -6.674 -0.503 -13.484 1.00 0.88 H new ATOM 0 HG2 GLU A 74 -4.542 0.241 -13.861 1.00 1.71 H new ATOM 0 HG3 GLU A 74 -5.438 1.706 -14.210 1.00 1.71 H new ATOM 1051 N ARG A 75 -9.992 1.091 -11.952 1.00 0.84 N ATOM 1052 CA ARG A 75 -11.213 0.348 -11.676 1.00 1.03 C ATOM 1053 C ARG A 75 -11.844 -0.184 -12.963 1.00 1.18 C ATOM 1054 O ARG A 75 -11.889 -1.395 -13.145 1.00 1.33 O ATOM 1055 CB ARG A 75 -12.209 1.054 -10.735 1.00 1.17 C ATOM 1056 CG ARG A 75 -13.526 0.250 -10.711 1.00 1.07 C ATOM 1057 CD ARG A 75 -14.403 0.477 -9.473 1.00 1.43 C ATOM 1058 NE ARG A 75 -15.672 1.130 -9.828 1.00 1.87 N ATOM 1059 CZ ARG A 75 -15.924 2.447 -9.815 1.00 2.48 C ATOM 1060 NH1 ARG A 75 -15.050 3.290 -9.269 1.00 2.92 N ATOM 1061 NH2 ARG A 75 -17.051 2.898 -10.363 1.00 3.84 N ATOM 0 H ARG A 75 -9.997 2.057 -11.624 1.00 0.84 H new ATOM 0 HA ARG A 75 -10.906 -0.518 -11.089 1.00 1.03 H new ATOM 0 HB2 ARG A 75 -11.793 1.126 -9.730 1.00 1.17 H new ATOM 0 HB3 ARG A 75 -12.395 2.072 -11.077 1.00 1.17 H new ATOM 0 HG2 ARG A 75 -14.105 0.504 -11.599 1.00 1.07 H new ATOM 0 HG3 ARG A 75 -13.287 -0.811 -10.779 1.00 1.07 H new ATOM 0 HD2 ARG A 75 -14.606 -0.478 -8.989 1.00 1.43 H new ATOM 0 HD3 ARG A 75 -13.865 1.092 -8.752 1.00 1.43 H new ATOM 0 HE ARG A 75 -16.438 0.519 -10.113 1.00 1.87 H new ATOM 0 HH11 ARG A 75 -14.186 2.935 -8.859 1.00 2.92 H new ATOM 0 HH12 ARG A 75 -15.244 4.291 -9.260 1.00 2.92 H new ATOM 0 HH21 ARG A 75 -17.710 2.244 -10.786 1.00 3.84 H new ATOM 0 HH22 ARG A 75 -17.255 3.897 -10.360 1.00 3.84 H new ATOM 1075 N PRO A 76 -12.341 0.662 -13.873 1.00 1.38 N ATOM 1076 CA PRO A 76 -13.040 0.147 -15.034 1.00 1.69 C ATOM 1077 C PRO A 76 -12.100 -0.539 -16.041 1.00 1.41 C ATOM 1078 O PRO A 76 -12.564 -0.985 -17.089 1.00 1.68 O ATOM 1079 CB PRO A 76 -13.797 1.346 -15.607 1.00 2.34 C ATOM 1080 CG PRO A 76 -12.950 2.546 -15.185 1.00 2.10 C ATOM 1081 CD PRO A 76 -12.394 2.115 -13.828 1.00 1.61 C ATOM 0 HA PRO A 76 -13.731 -0.654 -14.770 1.00 1.69 H new ATOM 0 HB2 PRO A 76 -13.887 1.281 -16.691 1.00 2.34 H new ATOM 0 HB3 PRO A 76 -14.809 1.409 -15.206 1.00 2.34 H new ATOM 0 HG2 PRO A 76 -12.154 2.750 -15.901 1.00 2.10 H new ATOM 0 HG3 PRO A 76 -13.548 3.454 -15.106 1.00 2.10 H new ATOM 0 HD2 PRO A 76 -11.404 2.539 -13.657 1.00 1.61 H new ATOM 0 HD3 PRO A 76 -13.033 2.459 -13.015 1.00 1.61 H new ATOM 1089 N SER A 77 -10.789 -0.620 -15.780 1.00 1.23 N ATOM 1090 CA SER A 77 -9.882 -1.463 -16.546 1.00 1.29 C ATOM 1091 C SER A 77 -9.872 -2.897 -16.004 1.00 1.13 C ATOM 1092 O SER A 77 -9.473 -3.807 -16.728 1.00 1.30 O ATOM 1093 CB SER A 77 -8.480 -0.843 -16.609 1.00 1.59 C ATOM 1094 OG SER A 77 -8.327 0.195 -15.658 1.00 1.85 O ATOM 0 H SER A 77 -10.334 -0.100 -15.030 1.00 1.23 H new ATOM 0 HA SER A 77 -10.246 -1.521 -17.572 1.00 1.29 H new ATOM 0 HB2 SER A 77 -7.732 -1.615 -16.430 1.00 1.59 H new ATOM 0 HB3 SER A 77 -8.300 -0.450 -17.610 1.00 1.59 H new ATOM 0 HG SER A 77 -7.423 0.568 -15.723 1.00 1.85 H new ATOM 1100 N TYR A 78 -10.293 -3.134 -14.755 1.00 1.00 N ATOM 1101 CA TYR A 78 -10.727 -4.458 -14.361 1.00 1.00 C ATOM 1102 C TYR A 78 -12.188 -4.575 -14.783 1.00 1.08 C ATOM 1103 O TYR A 78 -12.861 -3.564 -14.980 1.00 1.37 O ATOM 1104 CB TYR A 78 -10.499 -4.697 -12.864 1.00 1.24 C ATOM 1105 CG TYR A 78 -11.423 -4.046 -11.843 1.00 0.92 C ATOM 1106 CD1 TYR A 78 -12.677 -4.626 -11.577 1.00 2.19 C ATOM 1107 CD2 TYR A 78 -10.923 -3.072 -10.957 1.00 2.10 C ATOM 1108 CE1 TYR A 78 -13.436 -4.216 -10.470 1.00 2.22 C ATOM 1109 CE2 TYR A 78 -11.668 -2.690 -9.825 1.00 2.54 C ATOM 1110 CZ TYR A 78 -12.918 -3.275 -9.573 1.00 1.73 C ATOM 1111 OH TYR A 78 -13.648 -2.902 -8.484 1.00 2.39 O ATOM 0 H TYR A 78 -10.338 -2.430 -14.018 1.00 1.00 H new ATOM 0 HA TYR A 78 -10.144 -5.238 -14.850 1.00 1.00 H new ATOM 0 HB2 TYR A 78 -10.538 -5.773 -12.697 1.00 1.24 H new ATOM 0 HB3 TYR A 78 -9.483 -4.375 -12.635 1.00 1.24 H new ATOM 0 HD1 TYR A 78 -13.060 -5.395 -12.232 1.00 2.19 H new ATOM 0 HD2 TYR A 78 -9.963 -2.616 -11.147 1.00 2.10 H new ATOM 0 HE1 TYR A 78 -14.422 -4.627 -10.310 1.00 2.22 H new ATOM 0 HE2 TYR A 78 -11.276 -1.945 -9.149 1.00 2.54 H new ATOM 0 HH TYR A 78 -13.144 -2.242 -7.963 1.00 2.39 H new ATOM 1121 N ASN A 79 -12.685 -5.791 -14.972 1.00 1.07 N ATOM 1122 CA ASN A 79 -14.082 -6.002 -15.309 1.00 1.27 C ATOM 1123 C ASN A 79 -14.471 -7.407 -14.883 1.00 1.44 C ATOM 1124 O ASN A 79 -14.255 -8.364 -15.630 1.00 2.28 O ATOM 1125 CB ASN A 79 -14.323 -5.782 -16.806 1.00 1.42 C ATOM 1126 CG ASN A 79 -15.786 -6.013 -17.157 1.00 1.74 C ATOM 1127 OD1 ASN A 79 -16.645 -6.050 -16.282 1.00 2.09 O ATOM 1128 ND2 ASN A 79 -16.116 -6.110 -18.434 1.00 2.80 N ATOM 0 H ASN A 79 -12.136 -6.648 -14.897 1.00 1.07 H new ATOM 0 HA ASN A 79 -14.705 -5.280 -14.781 1.00 1.27 H new ATOM 0 HB2 ASN A 79 -14.034 -4.767 -17.080 1.00 1.42 H new ATOM 0 HB3 ASN A 79 -13.694 -6.460 -17.384 1.00 1.42 H new ATOM 0 HD21 ASN A 79 -17.095 -6.217 -18.701 1.00 2.80 H new ATOM 0 HD22 ASN A 79 -15.392 -6.078 -19.152 1.00 2.80 H new ATOM 1135 N TYR A 80 -15.024 -7.545 -13.679 1.00 1.56 N ATOM 1136 CA TYR A 80 -15.385 -8.838 -13.131 1.00 1.72 C ATOM 1137 C TYR A 80 -16.394 -9.552 -14.027 1.00 2.16 C ATOM 1138 O TYR A 80 -16.352 -10.774 -14.121 1.00 2.56 O ATOM 1139 CB TYR A 80 -15.878 -8.723 -11.684 1.00 1.86 C ATOM 1140 CG TYR A 80 -15.866 -10.060 -10.966 1.00 1.71 C ATOM 1141 CD1 TYR A 80 -14.628 -10.666 -10.687 1.00 1.86 C ATOM 1142 CD2 TYR A 80 -17.050 -10.804 -10.808 1.00 2.91 C ATOM 1143 CE1 TYR A 80 -14.555 -12.033 -10.389 1.00 1.68 C ATOM 1144 CE2 TYR A 80 -16.978 -12.165 -10.465 1.00 2.98 C ATOM 1145 CZ TYR A 80 -15.728 -12.797 -10.351 1.00 1.71 C ATOM 1146 OH TYR A 80 -15.627 -14.155 -10.324 1.00 2.32 O ATOM 0 H TYR A 80 -15.232 -6.760 -13.062 1.00 1.56 H new ATOM 0 HA TYR A 80 -14.484 -9.451 -13.105 1.00 1.72 H new ATOM 0 HB2 TYR A 80 -15.249 -8.016 -11.143 1.00 1.86 H new ATOM 0 HB3 TYR A 80 -16.890 -8.318 -11.678 1.00 1.86 H new ATOM 0 HD1 TYR A 80 -13.726 -10.073 -10.703 1.00 1.86 H new ATOM 0 HD2 TYR A 80 -18.010 -10.331 -10.950 1.00 2.91 H new ATOM 0 HE1 TYR A 80 -13.599 -12.495 -10.190 1.00 1.68 H new ATOM 0 HE2 TYR A 80 -17.884 -12.726 -10.289 1.00 2.98 H new ATOM 0 HH TYR A 80 -16.524 -14.549 -10.298 1.00 2.32 H new ATOM 1156 N ALA A 81 -17.228 -8.809 -14.760 1.00 3.19 N ATOM 1157 CA ALA A 81 -18.140 -9.394 -15.736 1.00 3.55 C ATOM 1158 C ALA A 81 -17.415 -10.294 -16.745 1.00 3.75 C ATOM 1159 O ALA A 81 -18.029 -11.208 -17.294 1.00 4.24 O ATOM 1160 CB ALA A 81 -18.932 -8.297 -16.452 1.00 3.99 C ATOM 0 H ALA A 81 -17.287 -7.793 -14.692 1.00 3.19 H new ATOM 0 HA ALA A 81 -18.836 -10.031 -15.189 1.00 3.55 H new ATOM 0 HB1 ALA A 81 -19.608 -8.750 -17.177 1.00 3.99 H new ATOM 0 HB2 ALA A 81 -19.510 -7.730 -15.722 1.00 3.99 H new ATOM 0 HB3 ALA A 81 -18.243 -7.628 -16.967 1.00 3.99 H new ATOM 1166 N THR A 82 -16.129 -10.040 -17.000 1.00 3.53 N ATOM 1167 CA THR A 82 -15.277 -10.869 -17.848 1.00 3.67 C ATOM 1168 C THR A 82 -14.170 -11.583 -17.052 1.00 3.26 C ATOM 1169 O THR A 82 -13.369 -12.327 -17.618 1.00 3.39 O ATOM 1170 CB THR A 82 -14.691 -9.979 -18.950 1.00 3.94 C ATOM 1171 OG1 THR A 82 -14.034 -8.833 -18.427 1.00 3.97 O ATOM 1172 CG2 THR A 82 -15.804 -9.508 -19.890 1.00 4.27 C ATOM 0 H THR A 82 -15.642 -9.232 -16.612 1.00 3.53 H new ATOM 0 HA THR A 82 -15.879 -11.664 -18.288 1.00 3.67 H new ATOM 0 HB THR A 82 -13.959 -10.583 -19.486 1.00 3.94 H new ATOM 0 HG1 THR A 82 -14.049 -8.866 -17.448 1.00 3.97 H new ATOM 0 HG21 THR A 82 -15.379 -8.876 -20.670 1.00 4.27 H new ATOM 0 HG22 THR A 82 -16.285 -10.373 -20.346 1.00 4.27 H new ATOM 0 HG23 THR A 82 -16.542 -8.939 -19.324 1.00 4.27 H new ATOM 1180 N ASN A 83 -14.087 -11.317 -15.748 1.00 2.91 N ATOM 1181 CA ASN A 83 -13.082 -11.825 -14.825 1.00 2.59 C ATOM 1182 C ASN A 83 -11.663 -11.822 -15.413 1.00 2.29 C ATOM 1183 O ASN A 83 -10.912 -12.790 -15.300 1.00 2.50 O ATOM 1184 CB ASN A 83 -13.522 -13.192 -14.284 1.00 3.08 C ATOM 1185 CG ASN A 83 -12.561 -13.758 -13.244 1.00 2.76 C ATOM 1186 OD1 ASN A 83 -12.364 -14.967 -13.171 1.00 3.45 O ATOM 1187 ND2 ASN A 83 -11.966 -12.918 -12.408 1.00 2.41 N ATOM 0 H ASN A 83 -14.760 -10.706 -15.285 1.00 2.91 H new ATOM 0 HA ASN A 83 -13.014 -11.139 -13.981 1.00 2.59 H new ATOM 0 HB2 ASN A 83 -14.514 -13.100 -13.842 1.00 3.08 H new ATOM 0 HB3 ASN A 83 -13.607 -13.895 -15.113 1.00 3.08 H new ATOM 0 HD21 ASN A 83 -11.334 -13.274 -11.691 1.00 2.41 H new ATOM 0 HD22 ASN A 83 -12.140 -11.916 -12.482 1.00 2.41 H new ATOM 1194 N GLN A 84 -11.268 -10.702 -16.016 1.00 1.98 N ATOM 1195 CA GLN A 84 -9.907 -10.466 -16.480 1.00 1.80 C ATOM 1196 C GLN A 84 -9.677 -8.960 -16.548 1.00 1.54 C ATOM 1197 O GLN A 84 -10.598 -8.200 -16.248 1.00 1.89 O ATOM 1198 CB GLN A 84 -9.674 -11.138 -17.837 1.00 2.03 C ATOM 1199 CG GLN A 84 -10.616 -10.645 -18.940 1.00 2.86 C ATOM 1200 CD GLN A 84 -10.148 -11.174 -20.285 1.00 3.56 C ATOM 1201 OE1 GLN A 84 -10.724 -12.117 -20.820 1.00 4.43 O ATOM 1202 NE2 GLN A 84 -9.094 -10.586 -20.836 1.00 4.22 N ATOM 0 H GLN A 84 -11.898 -9.921 -16.198 1.00 1.98 H new ATOM 0 HA GLN A 84 -9.191 -10.905 -15.786 1.00 1.80 H new ATOM 0 HB2 GLN A 84 -8.644 -10.963 -18.147 1.00 2.03 H new ATOM 0 HB3 GLN A 84 -9.794 -12.215 -17.724 1.00 2.03 H new ATOM 0 HG2 GLN A 84 -11.633 -10.981 -18.740 1.00 2.86 H new ATOM 0 HG3 GLN A 84 -10.637 -9.555 -18.954 1.00 2.86 H new ATOM 0 HE21 GLN A 84 -8.640 -9.805 -20.363 1.00 4.22 H new ATOM 0 HE22 GLN A 84 -8.737 -10.915 -21.733 1.00 4.22 H new ATOM 1211 N CYS A 85 -8.485 -8.517 -16.944 1.00 1.36 N ATOM 1212 CA CYS A 85 -8.322 -7.123 -17.333 1.00 1.32 C ATOM 1213 C CYS A 85 -9.019 -6.909 -18.665 1.00 1.39 C ATOM 1214 O CYS A 85 -8.994 -7.788 -19.529 1.00 2.07 O ATOM 1215 CB CYS A 85 -6.865 -6.703 -17.496 1.00 1.61 C ATOM 1216 SG CYS A 85 -5.922 -6.525 -15.982 1.00 2.14 S ATOM 0 H CYS A 85 -7.641 -9.087 -17.003 1.00 1.36 H new ATOM 0 HA CYS A 85 -8.751 -6.520 -16.533 1.00 1.32 H new ATOM 0 HB2 CYS A 85 -6.365 -7.437 -18.127 1.00 1.61 H new ATOM 0 HB3 CYS A 85 -6.839 -5.753 -18.030 1.00 1.61 H new ATOM 1221 N VAL A 86 -9.613 -5.732 -18.827 1.00 1.33 N ATOM 1222 CA VAL A 86 -10.226 -5.288 -20.065 1.00 1.43 C ATOM 1223 C VAL A 86 -9.108 -5.170 -21.109 1.00 1.58 C ATOM 1224 O VAL A 86 -7.931 -5.028 -20.760 1.00 1.64 O ATOM 1225 CB VAL A 86 -10.916 -3.933 -19.781 1.00 1.39 C ATOM 1226 CG1 VAL A 86 -11.141 -3.027 -20.996 1.00 1.57 C ATOM 1227 CG2 VAL A 86 -12.222 -4.153 -19.015 1.00 1.43 C ATOM 0 H VAL A 86 -9.681 -5.044 -18.077 1.00 1.33 H new ATOM 0 HA VAL A 86 -10.979 -5.979 -20.445 1.00 1.43 H new ATOM 0 HB VAL A 86 -10.203 -3.382 -19.169 1.00 1.39 H new ATOM 0 HG11 VAL A 86 -11.631 -2.107 -20.678 1.00 1.57 H new ATOM 0 HG12 VAL A 86 -10.181 -2.788 -21.454 1.00 1.57 H new ATOM 0 HG13 VAL A 86 -11.771 -3.541 -21.722 1.00 1.57 H new ATOM 0 HG21 VAL A 86 -12.697 -3.191 -18.822 1.00 1.43 H new ATOM 0 HG22 VAL A 86 -12.891 -4.776 -19.609 1.00 1.43 H new ATOM 0 HG23 VAL A 86 -12.009 -4.649 -18.068 1.00 1.43 H new ATOM 1295 N CYS A 91 -3.389 -1.916 -16.350 1.00 1.48 N ATOM 1296 CA CYS A 91 -4.080 -2.638 -15.284 1.00 1.18 C ATOM 1297 C CYS A 91 -3.060 -3.360 -14.398 1.00 1.19 C ATOM 1298 O CYS A 91 -3.313 -4.448 -13.888 1.00 2.28 O ATOM 1299 CB CYS A 91 -5.110 -3.619 -15.851 1.00 1.47 C ATOM 1300 SG CYS A 91 -4.452 -5.154 -16.533 1.00 2.44 S ATOM 0 HA CYS A 91 -4.624 -1.916 -14.675 1.00 1.18 H new ATOM 0 HB2 CYS A 91 -5.816 -3.870 -15.060 1.00 1.47 H new ATOM 0 HB3 CYS A 91 -5.674 -3.110 -16.633 1.00 1.47 H new ATOM 1305 N ARG A 92 -1.882 -2.763 -14.195 1.00 1.12 N ATOM 1306 CA ARG A 92 -0.796 -3.355 -13.423 1.00 1.08 C ATOM 1307 C ARG A 92 -0.683 -2.657 -12.073 1.00 1.19 C ATOM 1308 O ARG A 92 0.353 -2.079 -11.734 1.00 2.13 O ATOM 1309 CB ARG A 92 0.520 -3.311 -14.223 1.00 1.22 C ATOM 1310 CG ARG A 92 0.838 -4.633 -14.931 1.00 1.77 C ATOM 1311 CD ARG A 92 1.008 -5.734 -13.876 1.00 1.37 C ATOM 1312 NE ARG A 92 1.899 -6.820 -14.314 1.00 1.77 N ATOM 1313 CZ ARG A 92 1.489 -8.049 -14.660 1.00 2.65 C ATOM 1314 NH1 ARG A 92 0.212 -8.283 -14.951 1.00 3.73 N ATOM 1315 NH2 ARG A 92 2.355 -9.061 -14.693 1.00 3.01 N ATOM 0 H ARG A 92 -1.657 -1.841 -14.570 1.00 1.12 H new ATOM 0 HA ARG A 92 -1.012 -4.406 -13.231 1.00 1.08 H new ATOM 0 HB2 ARG A 92 0.461 -2.514 -14.964 1.00 1.22 H new ATOM 0 HB3 ARG A 92 1.339 -3.060 -13.549 1.00 1.22 H new ATOM 0 HG2 ARG A 92 0.036 -4.893 -15.621 1.00 1.77 H new ATOM 0 HG3 ARG A 92 1.748 -4.534 -15.523 1.00 1.77 H new ATOM 0 HD2 ARG A 92 1.404 -5.294 -12.961 1.00 1.37 H new ATOM 0 HD3 ARG A 92 0.030 -6.150 -13.633 1.00 1.37 H new ATOM 0 HE ARG A 92 2.899 -6.624 -14.358 1.00 1.77 H new ATOM 0 HH11 ARG A 92 -0.467 -7.523 -14.912 1.00 3.73 H new ATOM 0 HH12 ARG A 92 -0.088 -9.222 -15.213 1.00 3.73 H new ATOM 0 HH21 ARG A 92 3.334 -8.902 -14.455 1.00 3.01 H new ATOM 0 HH22 ARG A 92 2.039 -9.994 -14.957 1.00 3.01 H new ATOM 1329 N HIS A 93 -1.739 -2.728 -11.270 1.00 0.60 N ATOM 1330 CA HIS A 93 -1.747 -2.106 -9.957 1.00 0.66 C ATOM 1331 C HIS A 93 -2.930 -2.662 -9.177 1.00 0.55 C ATOM 1332 O HIS A 93 -2.723 -3.492 -8.296 1.00 0.59 O ATOM 1333 CB HIS A 93 -1.729 -0.575 -10.103 1.00 0.85 C ATOM 1334 CG HIS A 93 -0.533 0.167 -9.547 1.00 0.91 C ATOM 1335 ND1 HIS A 93 -0.528 1.526 -9.328 1.00 1.69 N ATOM 1336 CD2 HIS A 93 0.715 -0.308 -9.220 1.00 0.94 C ATOM 1337 CE1 HIS A 93 0.665 1.869 -8.821 1.00 2.22 C ATOM 1338 NE2 HIS A 93 1.438 0.773 -8.740 1.00 1.74 N ATOM 0 H HIS A 93 -2.603 -3.213 -11.510 1.00 0.60 H new ATOM 0 HA HIS A 93 -0.851 -2.344 -9.384 1.00 0.66 H new ATOM 0 HB2 HIS A 93 -1.808 -0.338 -11.164 1.00 0.85 H new ATOM 0 HB3 HIS A 93 -2.623 -0.181 -9.620 1.00 0.85 H new ATOM 0 HD2 HIS A 93 1.064 -1.325 -9.318 1.00 0.94 H new ATOM 0 HE1 HIS A 93 0.957 2.866 -8.525 1.00 2.22 H new ATOM 0 HE2 HIS A 93 2.394 0.742 -8.386 1.00 1.74 H new ATOM 1347 N TYR A 94 -4.158 -2.297 -9.558 1.00 0.59 N ATOM 1348 CA TYR A 94 -5.386 -2.878 -9.015 1.00 0.49 C ATOM 1349 C TYR A 94 -5.248 -4.389 -8.794 1.00 0.47 C ATOM 1350 O TYR A 94 -5.531 -4.894 -7.716 1.00 0.45 O ATOM 1351 CB TYR A 94 -6.556 -2.584 -9.958 1.00 0.53 C ATOM 1352 CG TYR A 94 -7.730 -3.513 -9.733 1.00 0.63 C ATOM 1353 CD1 TYR A 94 -8.533 -3.363 -8.588 1.00 1.68 C ATOM 1354 CD2 TYR A 94 -7.860 -4.667 -10.530 1.00 1.80 C ATOM 1355 CE1 TYR A 94 -9.542 -4.302 -8.315 1.00 1.95 C ATOM 1356 CE2 TYR A 94 -8.853 -5.615 -10.242 1.00 2.16 C ATOM 1357 CZ TYR A 94 -9.746 -5.383 -9.187 1.00 1.67 C ATOM 1358 OH TYR A 94 -10.857 -6.151 -9.060 1.00 2.19 O ATOM 0 H TYR A 94 -4.327 -1.579 -10.263 1.00 0.59 H new ATOM 0 HA TYR A 94 -5.576 -2.421 -8.044 1.00 0.49 H new ATOM 0 HB2 TYR A 94 -6.881 -1.553 -9.818 1.00 0.53 H new ATOM 0 HB3 TYR A 94 -6.218 -2.674 -10.990 1.00 0.53 H new ATOM 0 HD1 TYR A 94 -8.375 -2.529 -7.921 1.00 1.68 H new ATOM 0 HD2 TYR A 94 -7.193 -4.822 -11.365 1.00 1.80 H new ATOM 0 HE1 TYR A 94 -10.160 -4.192 -7.436 1.00 1.95 H new ATOM 0 HE2 TYR A 94 -8.929 -6.518 -10.830 1.00 2.16 H new ATOM 0 HH TYR A 94 -10.789 -6.926 -9.656 1.00 2.19 H new ATOM 1368 N THR A 95 -4.796 -5.101 -9.820 1.00 0.57 N ATOM 1369 CA THR A 95 -4.495 -6.523 -9.808 1.00 0.66 C ATOM 1370 C THR A 95 -3.843 -6.989 -8.502 1.00 0.61 C ATOM 1371 O THR A 95 -4.219 -8.013 -7.943 1.00 0.75 O ATOM 1372 CB THR A 95 -3.527 -6.750 -10.981 1.00 0.93 C ATOM 1373 OG1 THR A 95 -2.696 -5.602 -11.113 1.00 1.14 O ATOM 1374 CG2 THR A 95 -4.260 -6.929 -12.306 1.00 1.03 C ATOM 0 H THR A 95 -4.621 -4.676 -10.731 1.00 0.57 H new ATOM 0 HA THR A 95 -5.418 -7.096 -9.896 1.00 0.66 H new ATOM 0 HB THR A 95 -2.958 -7.655 -10.766 1.00 0.93 H new ATOM 0 HG1 THR A 95 -1.814 -5.791 -10.731 1.00 1.14 H new ATOM 0 HG21 THR A 95 -3.535 -7.086 -13.105 1.00 1.03 H new ATOM 0 HG22 THR A 95 -4.922 -7.792 -12.242 1.00 1.03 H new ATOM 0 HG23 THR A 95 -4.848 -6.036 -12.520 1.00 1.03 H new ATOM 1382 N GLN A 96 -2.826 -6.263 -8.036 1.00 0.54 N ATOM 1383 CA GLN A 96 -2.115 -6.607 -6.822 1.00 0.59 C ATOM 1384 C GLN A 96 -2.995 -6.312 -5.610 1.00 0.55 C ATOM 1385 O GLN A 96 -3.081 -7.122 -4.692 1.00 0.69 O ATOM 1386 CB GLN A 96 -0.818 -5.805 -6.745 1.00 0.63 C ATOM 1387 CG GLN A 96 -0.095 -6.011 -5.411 1.00 0.87 C ATOM 1388 CD GLN A 96 0.311 -7.460 -5.172 1.00 0.95 C ATOM 1389 OE1 GLN A 96 1.372 -7.885 -5.613 1.00 1.98 O ATOM 1390 NE2 GLN A 96 -0.519 -8.241 -4.495 1.00 0.89 N ATOM 0 H GLN A 96 -2.478 -5.421 -8.496 1.00 0.54 H new ATOM 0 HA GLN A 96 -1.873 -7.670 -6.829 1.00 0.59 H new ATOM 0 HB2 GLN A 96 -0.161 -6.099 -7.563 1.00 0.63 H new ATOM 0 HB3 GLN A 96 -1.038 -4.746 -6.878 1.00 0.63 H new ATOM 0 HG2 GLN A 96 0.794 -5.381 -5.385 1.00 0.87 H new ATOM 0 HG3 GLN A 96 -0.743 -5.682 -4.598 1.00 0.87 H new ATOM 0 HE21 GLN A 96 -1.397 -7.864 -4.138 1.00 0.89 H new ATOM 0 HE22 GLN A 96 -0.280 -9.219 -4.331 1.00 0.89 H new ATOM 1399 N VAL A 97 -3.600 -5.130 -5.583 1.00 0.47 N ATOM 1400 CA VAL A 97 -4.452 -4.684 -4.486 1.00 0.48 C ATOM 1401 C VAL A 97 -5.510 -5.756 -4.224 1.00 0.49 C ATOM 1402 O VAL A 97 -5.730 -6.202 -3.095 1.00 0.67 O ATOM 1403 CB VAL A 97 -5.058 -3.321 -4.869 1.00 0.51 C ATOM 1404 CG1 VAL A 97 -5.929 -2.725 -3.759 1.00 0.68 C ATOM 1405 CG2 VAL A 97 -3.923 -2.342 -5.194 1.00 0.67 C ATOM 0 H VAL A 97 -3.511 -4.445 -6.333 1.00 0.47 H new ATOM 0 HA VAL A 97 -3.892 -4.548 -3.561 1.00 0.48 H new ATOM 0 HB VAL A 97 -5.700 -3.483 -5.735 1.00 0.51 H new ATOM 0 HG11 VAL A 97 -6.329 -1.765 -4.086 1.00 0.68 H new ATOM 0 HG12 VAL A 97 -6.752 -3.404 -3.538 1.00 0.68 H new ATOM 0 HG13 VAL A 97 -5.327 -2.581 -2.862 1.00 0.68 H new ATOM 0 HG21 VAL A 97 -4.344 -1.374 -5.466 1.00 0.67 H new ATOM 0 HG22 VAL A 97 -3.281 -2.226 -4.321 1.00 0.67 H new ATOM 0 HG23 VAL A 97 -3.336 -2.729 -6.027 1.00 0.67 H new ATOM 1415 N VAL A 98 -6.094 -6.248 -5.311 1.00 0.43 N ATOM 1416 CA VAL A 98 -7.140 -7.239 -5.296 1.00 0.48 C ATOM 1417 C VAL A 98 -6.623 -8.666 -5.188 1.00 0.66 C ATOM 1418 O VAL A 98 -7.419 -9.548 -4.895 1.00 0.89 O ATOM 1419 CB VAL A 98 -8.090 -6.988 -6.487 1.00 0.50 C ATOM 1420 CG1 VAL A 98 -8.054 -8.086 -7.557 1.00 0.69 C ATOM 1421 CG2 VAL A 98 -9.503 -6.878 -5.925 1.00 0.45 C ATOM 0 H VAL A 98 -5.837 -5.952 -6.253 1.00 0.43 H new ATOM 0 HA VAL A 98 -7.720 -7.126 -4.380 1.00 0.48 H new ATOM 0 HB VAL A 98 -7.764 -6.076 -6.987 1.00 0.50 H new ATOM 0 HG11 VAL A 98 -8.748 -7.835 -8.359 1.00 0.69 H new ATOM 0 HG12 VAL A 98 -7.045 -8.166 -7.962 1.00 0.69 H new ATOM 0 HG13 VAL A 98 -8.343 -9.038 -7.111 1.00 0.69 H new ATOM 0 HG21 VAL A 98 -10.206 -6.700 -6.739 1.00 0.45 H new ATOM 0 HG22 VAL A 98 -9.765 -7.805 -5.416 1.00 0.45 H new ATOM 0 HG23 VAL A 98 -9.550 -6.050 -5.218 1.00 0.45 H new ATOM 1431 N TRP A 99 -5.322 -8.892 -5.357 1.00 0.63 N ATOM 1432 CA TRP A 99 -4.716 -10.214 -5.425 1.00 0.64 C ATOM 1433 C TRP A 99 -5.269 -11.139 -4.342 1.00 0.64 C ATOM 1434 O TRP A 99 -4.895 -11.019 -3.173 1.00 0.64 O ATOM 1435 CB TRP A 99 -3.197 -10.078 -5.318 1.00 0.60 C ATOM 1436 CG TRP A 99 -2.412 -11.291 -5.687 1.00 0.58 C ATOM 1437 CD1 TRP A 99 -1.664 -12.040 -4.848 1.00 0.77 C ATOM 1438 CD2 TRP A 99 -2.255 -11.891 -7.004 1.00 0.58 C ATOM 1439 NE1 TRP A 99 -1.104 -13.083 -5.550 1.00 0.74 N ATOM 1440 CE2 TRP A 99 -1.501 -13.084 -6.860 1.00 0.64 C ATOM 1441 CE3 TRP A 99 -2.602 -11.516 -8.318 1.00 0.73 C ATOM 1442 CZ2 TRP A 99 -1.188 -13.909 -7.937 1.00 0.85 C ATOM 1443 CZ3 TRP A 99 -2.322 -12.361 -9.411 1.00 0.96 C ATOM 1444 CH2 TRP A 99 -1.702 -13.604 -9.201 1.00 1.07 C ATOM 0 H TRP A 99 -4.643 -8.137 -5.453 1.00 0.63 H new ATOM 0 HA TRP A 99 -4.966 -10.669 -6.384 1.00 0.64 H new ATOM 0 HB2 TRP A 99 -2.879 -9.254 -5.956 1.00 0.60 H new ATOM 0 HB3 TRP A 99 -2.946 -9.803 -4.293 1.00 0.60 H new ATOM 0 HD1 TRP A 99 -1.527 -11.851 -3.794 1.00 0.77 H new ATOM 0 HE1 TRP A 99 -0.470 -13.771 -5.144 1.00 0.74 H new ATOM 0 HE3 TRP A 99 -3.089 -10.568 -8.490 1.00 0.73 H new ATOM 0 HZ2 TRP A 99 -0.556 -14.774 -7.798 1.00 0.85 H new ATOM 0 HZ3 TRP A 99 -2.585 -12.052 -10.412 1.00 0.96 H new ATOM 0 HH2 TRP A 99 -1.623 -14.317 -10.008 1.00 1.07 H new ATOM 1455 N ARG A 100 -6.158 -12.055 -4.726 1.00 0.71 N ATOM 1456 CA ARG A 100 -6.789 -12.993 -3.818 1.00 0.74 C ATOM 1457 C ARG A 100 -5.723 -13.712 -3.001 1.00 0.76 C ATOM 1458 O ARG A 100 -5.900 -13.927 -1.803 1.00 0.80 O ATOM 1459 CB ARG A 100 -7.681 -13.962 -4.616 1.00 0.78 C ATOM 1460 CG ARG A 100 -8.079 -15.236 -3.853 1.00 1.11 C ATOM 1461 CD ARG A 100 -8.862 -14.986 -2.552 1.00 1.71 C ATOM 1462 NE ARG A 100 -9.016 -16.228 -1.774 1.00 2.62 N ATOM 1463 CZ ARG A 100 -8.067 -16.852 -1.059 1.00 4.00 C ATOM 1464 NH1 ARG A 100 -6.901 -16.251 -0.828 1.00 4.81 N ATOM 1465 NH2 ARG A 100 -8.283 -18.084 -0.603 1.00 5.28 N ATOM 0 H ARG A 100 -6.460 -12.162 -5.694 1.00 0.71 H new ATOM 0 HA ARG A 100 -7.433 -12.467 -3.113 1.00 0.74 H new ATOM 0 HB2 ARG A 100 -8.587 -13.437 -4.918 1.00 0.78 H new ATOM 0 HB3 ARG A 100 -7.159 -14.248 -5.529 1.00 0.78 H new ATOM 0 HG2 ARG A 100 -8.682 -15.863 -4.509 1.00 1.11 H new ATOM 0 HG3 ARG A 100 -7.176 -15.798 -3.616 1.00 1.11 H new ATOM 0 HD2 ARG A 100 -8.344 -14.239 -1.951 1.00 1.71 H new ATOM 0 HD3 ARG A 100 -9.845 -14.578 -2.789 1.00 1.71 H new ATOM 0 HE ARG A 100 -9.941 -16.659 -1.779 1.00 2.62 H new ATOM 0 HH11 ARG A 100 -6.728 -15.315 -1.195 1.00 4.81 H new ATOM 0 HH12 ARG A 100 -6.181 -16.727 -0.284 1.00 4.81 H new ATOM 0 HH21 ARG A 100 -9.168 -18.552 -0.797 1.00 5.28 H new ATOM 0 HH22 ARG A 100 -7.563 -18.560 -0.059 1.00 5.28 H new ATOM 1479 N ASN A 101 -4.632 -14.122 -3.645 1.00 0.79 N ATOM 1480 CA ASN A 101 -3.670 -14.995 -2.998 1.00 0.83 C ATOM 1481 C ASN A 101 -3.051 -14.363 -1.752 1.00 0.68 C ATOM 1482 O ASN A 101 -2.713 -15.100 -0.826 1.00 1.19 O ATOM 1483 CB ASN A 101 -2.552 -15.417 -3.957 1.00 1.02 C ATOM 1484 CG ASN A 101 -2.036 -16.828 -3.707 1.00 1.47 C ATOM 1485 OD1 ASN A 101 -1.611 -17.493 -4.641 1.00 2.51 O ATOM 1486 ND2 ASN A 101 -2.057 -17.329 -2.476 1.00 1.86 N ATOM 0 H ASN A 101 -4.398 -13.864 -4.604 1.00 0.79 H new ATOM 0 HA ASN A 101 -4.233 -15.877 -2.692 1.00 0.83 H new ATOM 0 HB2 ASN A 101 -2.918 -15.349 -4.981 1.00 1.02 H new ATOM 0 HB3 ASN A 101 -1.723 -14.715 -3.867 1.00 1.02 H new ATOM 0 HD21 ASN A 101 -1.717 -18.275 -2.305 1.00 1.86 H new ATOM 0 HD22 ASN A 101 -2.413 -16.767 -1.703 1.00 1.86 H new ATOM 1493 N SER A 102 -2.848 -13.042 -1.721 1.00 0.75 N ATOM 1494 CA SER A 102 -2.131 -12.428 -0.619 1.00 0.72 C ATOM 1495 C SER A 102 -3.090 -12.180 0.537 1.00 0.78 C ATOM 1496 O SER A 102 -4.163 -11.605 0.344 1.00 0.98 O ATOM 1497 CB SER A 102 -1.438 -11.135 -1.050 1.00 0.80 C ATOM 1498 OG SER A 102 -2.255 -10.370 -1.919 1.00 1.71 O ATOM 0 H SER A 102 -3.168 -12.392 -2.439 1.00 0.75 H new ATOM 0 HA SER A 102 -1.348 -13.111 -0.290 1.00 0.72 H new ATOM 0 HB2 SER A 102 -1.189 -10.544 -0.169 1.00 0.80 H new ATOM 0 HB3 SER A 102 -0.499 -11.374 -1.549 1.00 0.80 H new ATOM 0 HG SER A 102 -1.783 -9.550 -2.174 1.00 1.71 H new ATOM 1504 N VAL A 103 -2.685 -12.619 1.729 1.00 0.80 N ATOM 1505 CA VAL A 103 -3.433 -12.455 2.968 1.00 0.87 C ATOM 1506 C VAL A 103 -2.711 -11.542 3.959 1.00 0.86 C ATOM 1507 O VAL A 103 -3.353 -10.959 4.836 1.00 0.86 O ATOM 1508 CB VAL A 103 -3.772 -13.830 3.564 1.00 1.01 C ATOM 1509 CG1 VAL A 103 -4.711 -14.606 2.630 1.00 1.10 C ATOM 1510 CG2 VAL A 103 -2.526 -14.675 3.859 1.00 1.06 C ATOM 0 H VAL A 103 -1.802 -13.112 1.859 1.00 0.80 H new ATOM 0 HA VAL A 103 -4.372 -11.951 2.740 1.00 0.87 H new ATOM 0 HB VAL A 103 -4.270 -13.639 4.515 1.00 1.01 H new ATOM 0 HG11 VAL A 103 -4.940 -15.577 3.069 1.00 1.10 H new ATOM 0 HG12 VAL A 103 -5.634 -14.043 2.493 1.00 1.10 H new ATOM 0 HG13 VAL A 103 -4.227 -14.749 1.664 1.00 1.10 H new ATOM 0 HG21 VAL A 103 -2.828 -15.635 4.278 1.00 1.06 H new ATOM 0 HG22 VAL A 103 -1.972 -14.841 2.935 1.00 1.06 H new ATOM 0 HG23 VAL A 103 -1.892 -14.151 4.574 1.00 1.06 H new ATOM 1520 N ARG A 104 -1.395 -11.395 3.794 1.00 1.04 N ATOM 1521 CA ARG A 104 -0.614 -10.424 4.549 1.00 0.99 C ATOM 1522 C ARG A 104 -0.734 -9.082 3.835 1.00 0.77 C ATOM 1523 O ARG A 104 -0.874 -9.058 2.610 1.00 0.71 O ATOM 1524 CB ARG A 104 0.888 -10.766 4.597 1.00 1.01 C ATOM 1525 CG ARG A 104 1.305 -12.235 4.508 1.00 1.81 C ATOM 1526 CD ARG A 104 2.798 -12.406 4.861 1.00 2.90 C ATOM 1527 NE ARG A 104 3.719 -11.603 4.026 1.00 4.06 N ATOM 1528 CZ ARG A 104 5.059 -11.578 4.170 1.00 5.38 C ATOM 1529 NH1 ARG A 104 5.643 -12.308 5.112 1.00 5.68 N ATOM 1530 NH2 ARG A 104 5.836 -10.838 3.372 1.00 6.90 N ATOM 0 H ARG A 104 -0.846 -11.946 3.134 1.00 1.04 H new ATOM 0 HA ARG A 104 -0.998 -10.415 5.569 1.00 0.99 H new ATOM 0 HB2 ARG A 104 1.376 -10.233 3.781 1.00 1.01 H new ATOM 0 HB3 ARG A 104 1.290 -10.363 5.526 1.00 1.01 H new ATOM 0 HG2 ARG A 104 0.696 -12.832 5.187 1.00 1.81 H new ATOM 0 HG3 ARG A 104 1.120 -12.609 3.501 1.00 1.81 H new ATOM 0 HD2 ARG A 104 2.945 -12.135 5.906 1.00 2.90 H new ATOM 0 HD3 ARG A 104 3.064 -13.459 4.764 1.00 2.90 H new ATOM 0 HE ARG A 104 3.311 -11.028 3.289 1.00 4.06 H new ATOM 0 HH11 ARG A 104 5.078 -12.890 5.730 1.00 5.68 H new ATOM 0 HH12 ARG A 104 6.657 -12.287 5.218 1.00 5.68 H new ATOM 0 HH21 ARG A 104 5.417 -10.274 2.632 1.00 6.90 H new ATOM 0 HH22 ARG A 104 6.848 -10.837 3.503 1.00 6.90 H new ATOM 1544 N LEU A 105 -0.581 -7.984 4.569 1.00 0.86 N ATOM 1545 CA LEU A 105 -0.455 -6.661 3.993 1.00 0.75 C ATOM 1546 C LEU A 105 0.379 -5.842 4.979 1.00 0.82 C ATOM 1547 O LEU A 105 0.295 -6.032 6.194 1.00 1.26 O ATOM 1548 CB LEU A 105 -1.861 -6.068 3.817 1.00 0.91 C ATOM 1549 CG LEU A 105 -2.048 -5.018 2.717 1.00 1.09 C ATOM 1550 CD1 LEU A 105 -3.355 -4.264 2.981 1.00 2.31 C ATOM 1551 CD2 LEU A 105 -0.931 -4.000 2.518 1.00 1.90 C ATOM 0 H LEU A 105 -0.541 -7.994 5.588 1.00 0.86 H new ATOM 0 HA LEU A 105 0.027 -6.670 3.015 1.00 0.75 H new ATOM 0 HB2 LEU A 105 -2.551 -6.889 3.621 1.00 0.91 H new ATOM 0 HB3 LEU A 105 -2.159 -5.620 4.765 1.00 0.91 H new ATOM 0 HG LEU A 105 -2.050 -5.596 1.793 1.00 1.09 H new ATOM 0 HD11 LEU A 105 -3.504 -3.512 2.206 1.00 2.31 H new ATOM 0 HD12 LEU A 105 -4.189 -4.966 2.970 1.00 2.31 H new ATOM 0 HD13 LEU A 105 -3.304 -3.777 3.955 1.00 2.31 H new ATOM 0 HD21 LEU A 105 -1.198 -3.321 1.709 1.00 1.90 H new ATOM 0 HD22 LEU A 105 -0.789 -3.431 3.437 1.00 1.90 H new ATOM 0 HD23 LEU A 105 -0.006 -4.519 2.266 1.00 1.90 H new ATOM 1563 N GLY A 106 1.195 -4.930 4.471 1.00 0.58 N ATOM 1564 CA GLY A 106 1.792 -3.875 5.267 1.00 0.51 C ATOM 1565 C GLY A 106 2.380 -2.855 4.310 1.00 0.53 C ATOM 1566 O GLY A 106 2.862 -3.228 3.242 1.00 0.73 O ATOM 0 H GLY A 106 1.462 -4.904 3.487 1.00 0.58 H new ATOM 0 HA2 GLY A 106 1.044 -3.410 5.910 1.00 0.51 H new ATOM 0 HA3 GLY A 106 2.566 -4.279 5.919 1.00 0.51 H new ATOM 1570 N CYS A 107 2.286 -1.571 4.649 1.00 0.49 N ATOM 1571 CA CYS A 107 2.630 -0.490 3.740 1.00 0.53 C ATOM 1572 C CYS A 107 3.356 0.592 4.496 1.00 0.52 C ATOM 1573 O CYS A 107 3.314 0.620 5.724 1.00 0.63 O ATOM 1574 CB CYS A 107 1.380 0.137 3.132 1.00 0.74 C ATOM 1575 SG CYS A 107 0.197 -0.963 2.349 1.00 1.28 S ATOM 0 H CYS A 107 1.968 -1.255 5.565 1.00 0.49 H new ATOM 0 HA CYS A 107 3.253 -0.909 2.950 1.00 0.53 H new ATOM 0 HB2 CYS A 107 0.861 0.683 3.919 1.00 0.74 H new ATOM 0 HB3 CYS A 107 1.698 0.871 2.391 1.00 0.74 H new ATOM 1580 N GLY A 108 3.985 1.506 3.767 1.00 0.56 N ATOM 1581 CA GLY A 108 4.747 2.581 4.359 1.00 0.74 C ATOM 1582 C GLY A 108 4.820 3.764 3.414 1.00 0.75 C ATOM 1583 O GLY A 108 4.839 3.564 2.198 1.00 1.51 O ATOM 0 H GLY A 108 3.977 1.516 2.747 1.00 0.56 H new ATOM 0 HA2 GLY A 108 4.286 2.887 5.298 1.00 0.74 H new ATOM 0 HA3 GLY A 108 5.753 2.234 4.595 1.00 0.74 H new ATOM 1587 N ARG A 109 4.861 4.971 3.976 1.00 0.96 N ATOM 1588 CA ARG A 109 5.076 6.228 3.284 1.00 0.75 C ATOM 1589 C ARG A 109 6.422 6.800 3.738 1.00 0.72 C ATOM 1590 O ARG A 109 6.712 6.791 4.935 1.00 1.03 O ATOM 1591 CB ARG A 109 3.906 7.159 3.634 1.00 0.98 C ATOM 1592 CG ARG A 109 4.095 8.587 3.104 1.00 0.81 C ATOM 1593 CD ARG A 109 2.887 9.475 3.421 1.00 1.23 C ATOM 1594 NE ARG A 109 2.620 9.480 4.870 1.00 1.63 N ATOM 1595 CZ ARG A 109 2.787 10.493 5.735 1.00 2.53 C ATOM 1596 NH1 ARG A 109 3.156 11.711 5.333 1.00 3.19 N ATOM 1597 NH2 ARG A 109 2.582 10.284 7.031 1.00 4.02 N ATOM 0 H ARG A 109 4.738 5.098 4.980 1.00 0.96 H new ATOM 0 HA ARG A 109 5.110 6.105 2.201 1.00 0.75 H new ATOM 0 HB2 ARG A 109 2.985 6.745 3.225 1.00 0.98 H new ATOM 0 HB3 ARG A 109 3.787 7.192 4.717 1.00 0.98 H new ATOM 0 HG2 ARG A 109 4.992 9.023 3.544 1.00 0.81 H new ATOM 0 HG3 ARG A 109 4.251 8.557 2.026 1.00 0.81 H new ATOM 0 HD2 ARG A 109 3.074 10.492 3.076 1.00 1.23 H new ATOM 0 HD3 ARG A 109 2.010 9.113 2.884 1.00 1.23 H new ATOM 0 HE ARG A 109 2.265 8.608 5.264 1.00 1.63 H new ATOM 0 HH11 ARG A 109 3.320 11.893 4.343 1.00 3.19 H new ATOM 0 HH12 ARG A 109 3.274 12.459 6.016 1.00 3.19 H new ATOM 0 HH21 ARG A 109 2.300 9.361 7.360 1.00 4.02 H new ATOM 0 HH22 ARG A 109 2.706 11.047 7.697 1.00 4.02 H new ATOM 1611 N ALA A 110 7.227 7.312 2.808 1.00 0.62 N ATOM 1612 CA ALA A 110 8.508 7.955 3.075 1.00 0.60 C ATOM 1613 C ALA A 110 8.640 9.146 2.139 1.00 0.50 C ATOM 1614 O ALA A 110 8.120 9.092 1.030 1.00 0.58 O ATOM 1615 CB ALA A 110 9.640 6.977 2.785 1.00 0.74 C ATOM 0 H ALA A 110 6.995 7.289 1.815 1.00 0.62 H new ATOM 0 HA ALA A 110 8.560 8.271 4.117 1.00 0.60 H new ATOM 0 HB1 ALA A 110 10.597 7.459 2.985 1.00 0.74 H new ATOM 0 HB2 ALA A 110 9.535 6.099 3.423 1.00 0.74 H new ATOM 0 HB3 ALA A 110 9.599 6.672 1.739 1.00 0.74 H new ATOM 1621 N ARG A 111 9.306 10.224 2.541 1.00 0.49 N ATOM 1622 CA ARG A 111 9.438 11.401 1.693 1.00 0.51 C ATOM 1623 C ARG A 111 10.689 11.260 0.832 1.00 0.60 C ATOM 1624 O ARG A 111 11.780 11.064 1.369 1.00 0.85 O ATOM 1625 CB ARG A 111 9.478 12.660 2.563 1.00 0.65 C ATOM 1626 CG ARG A 111 9.454 13.947 1.731 1.00 0.95 C ATOM 1627 CD ARG A 111 9.265 15.136 2.679 1.00 1.32 C ATOM 1628 NE ARG A 111 9.659 16.407 2.054 1.00 1.85 N ATOM 1629 CZ ARG A 111 8.828 17.345 1.586 1.00 2.53 C ATOM 1630 NH1 ARG A 111 7.543 17.057 1.405 1.00 3.20 N ATOM 1631 NH2 ARG A 111 9.291 18.566 1.320 1.00 3.51 N ATOM 0 H ARG A 111 9.763 10.306 3.449 1.00 0.49 H new ATOM 0 HA ARG A 111 8.579 11.490 1.027 1.00 0.51 H new ATOM 0 HB2 ARG A 111 8.627 12.655 3.244 1.00 0.65 H new ATOM 0 HB3 ARG A 111 10.378 12.645 3.178 1.00 0.65 H new ATOM 0 HG2 ARG A 111 10.383 14.053 1.171 1.00 0.95 H new ATOM 0 HG3 ARG A 111 8.645 13.912 1.002 1.00 0.95 H new ATOM 0 HD2 ARG A 111 8.221 15.192 2.987 1.00 1.32 H new ATOM 0 HD3 ARG A 111 9.855 14.977 3.581 1.00 1.32 H new ATOM 0 HE ARG A 111 10.659 16.591 1.969 1.00 1.85 H new ATOM 0 HH11 ARG A 111 7.194 16.124 1.623 1.00 3.20 H new ATOM 0 HH12 ARG A 111 6.906 17.769 1.048 1.00 3.20 H new ATOM 0 HH21 ARG A 111 10.276 18.783 1.473 1.00 3.51 H new ATOM 0 HH22 ARG A 111 8.661 19.284 0.963 1.00 3.51 H new ATOM 1645 N CYS A 112 10.543 11.377 -0.486 1.00 0.77 N ATOM 1646 CA CYS A 112 11.649 11.428 -1.429 1.00 0.88 C ATOM 1647 C CYS A 112 12.575 12.616 -1.293 1.00 0.91 C ATOM 1648 O CYS A 112 12.155 13.725 -0.974 1.00 1.24 O ATOM 1649 CB CYS A 112 11.256 11.269 -2.898 1.00 1.41 C ATOM 1650 SG CYS A 112 10.133 9.944 -3.366 1.00 2.15 S ATOM 0 H CYS A 112 9.629 11.440 -0.935 1.00 0.77 H new ATOM 0 HA CYS A 112 12.205 10.541 -1.124 1.00 0.88 H new ATOM 0 HB2 CYS A 112 10.808 12.209 -3.222 1.00 1.41 H new ATOM 0 HB3 CYS A 112 12.174 11.139 -3.471 1.00 1.41 H new ATOM 1690 N TRP A 116 8.791 15.008 -3.085 1.00 2.22 N ATOM 1691 CA TRP A 116 7.599 14.200 -3.257 1.00 1.17 C ATOM 1692 C TRP A 116 7.564 13.088 -2.213 1.00 0.84 C ATOM 1693 O TRP A 116 8.511 12.917 -1.452 1.00 1.14 O ATOM 1694 CB TRP A 116 7.598 13.656 -4.683 1.00 0.96 C ATOM 1695 CG TRP A 116 7.559 14.686 -5.777 1.00 1.17 C ATOM 1696 CD1 TRP A 116 7.450 16.028 -5.631 1.00 1.69 C ATOM 1697 CD2 TRP A 116 7.541 14.452 -7.213 1.00 1.27 C ATOM 1698 NE1 TRP A 116 7.306 16.621 -6.865 1.00 2.01 N ATOM 1699 CE2 TRP A 116 7.317 15.691 -7.880 1.00 1.77 C ATOM 1700 CE3 TRP A 116 7.702 13.311 -8.019 1.00 1.36 C ATOM 1701 CZ2 TRP A 116 7.168 15.777 -9.271 1.00 2.12 C ATOM 1702 CZ3 TRP A 116 7.511 13.374 -9.411 1.00 1.77 C ATOM 1703 CH2 TRP A 116 7.219 14.601 -10.032 1.00 2.07 C ATOM 0 HA TRP A 116 6.698 14.796 -3.109 1.00 1.17 H new ATOM 0 HB2 TRP A 116 8.489 13.043 -4.818 1.00 0.96 H new ATOM 0 HB3 TRP A 116 6.738 12.997 -4.800 1.00 0.96 H new ATOM 0 HD1 TRP A 116 7.473 16.554 -4.688 1.00 1.69 H new ATOM 0 HE1 TRP A 116 7.204 17.626 -7.009 1.00 2.01 H new ATOM 0 HE3 TRP A 116 7.977 12.372 -7.562 1.00 1.36 H new ATOM 0 HZ2 TRP A 116 7.016 16.734 -9.749 1.00 2.12 H new ATOM 0 HZ3 TRP A 116 7.589 12.476 -10.006 1.00 1.77 H new ATOM 0 HH2 TRP A 116 7.034 14.637 -11.095 1.00 2.07 H new ATOM 1714 N TRP A 117 6.479 12.320 -2.177 1.00 0.66 N ATOM 1715 CA TRP A 117 6.316 11.216 -1.249 1.00 0.71 C ATOM 1716 C TRP A 117 6.313 9.896 -2.002 1.00 0.77 C ATOM 1717 O TRP A 117 5.562 9.749 -2.965 1.00 1.08 O ATOM 1718 CB TRP A 117 5.039 11.406 -0.441 1.00 0.78 C ATOM 1719 CG TRP A 117 5.114 12.498 0.576 1.00 0.83 C ATOM 1720 CD1 TRP A 117 4.828 13.801 0.368 1.00 1.06 C ATOM 1721 CD2 TRP A 117 5.527 12.401 1.968 1.00 0.75 C ATOM 1722 NE1 TRP A 117 4.956 14.496 1.552 1.00 1.08 N ATOM 1723 CE2 TRP A 117 5.384 13.680 2.576 1.00 0.92 C ATOM 1724 CE3 TRP A 117 6.011 11.356 2.779 1.00 0.66 C ATOM 1725 CZ2 TRP A 117 5.664 13.898 3.931 1.00 0.99 C ATOM 1726 CZ3 TRP A 117 6.310 11.563 4.138 1.00 0.77 C ATOM 1727 CH2 TRP A 117 6.140 12.834 4.712 1.00 0.92 C ATOM 0 H TRP A 117 5.682 12.452 -2.800 1.00 0.66 H new ATOM 0 HA TRP A 117 7.155 11.197 -0.553 1.00 0.71 H new ATOM 0 HB2 TRP A 117 4.218 11.618 -1.125 1.00 0.78 H new ATOM 0 HB3 TRP A 117 4.799 10.470 0.064 1.00 0.78 H new ATOM 0 HD1 TRP A 117 4.543 14.233 -0.580 1.00 1.06 H new ATOM 0 HE1 TRP A 117 4.758 15.491 1.657 1.00 1.08 H new ATOM 0 HE3 TRP A 117 6.155 10.376 2.349 1.00 0.66 H new ATOM 0 HZ2 TRP A 117 5.515 14.874 4.369 1.00 0.99 H new ATOM 0 HZ3 TRP A 117 6.671 10.743 4.741 1.00 0.77 H new ATOM 0 HH2 TRP A 117 6.376 12.992 5.754 1.00 0.92 H new ATOM 1738 N PHE A 118 7.151 8.973 -1.535 1.00 0.61 N ATOM 1739 CA PHE A 118 7.194 7.561 -1.886 1.00 0.54 C ATOM 1740 C PHE A 118 6.182 6.826 -1.012 1.00 0.45 C ATOM 1741 O PHE A 118 6.087 7.129 0.177 1.00 0.85 O ATOM 1742 CB PHE A 118 8.592 7.013 -1.542 1.00 0.66 C ATOM 1743 CG PHE A 118 8.975 5.702 -2.205 1.00 0.84 C ATOM 1744 CD1 PHE A 118 8.372 4.484 -1.836 1.00 2.30 C ATOM 1745 CD2 PHE A 118 10.006 5.694 -3.156 1.00 1.67 C ATOM 1746 CE1 PHE A 118 8.707 3.296 -2.509 1.00 2.41 C ATOM 1747 CE2 PHE A 118 10.411 4.493 -3.755 1.00 1.67 C ATOM 1748 CZ PHE A 118 9.734 3.298 -3.466 1.00 1.14 C ATOM 0 H PHE A 118 7.869 9.213 -0.852 1.00 0.61 H new ATOM 0 HA PHE A 118 6.975 7.426 -2.945 1.00 0.54 H new ATOM 0 HB2 PHE A 118 9.332 7.765 -1.815 1.00 0.66 H new ATOM 0 HB3 PHE A 118 8.653 6.882 -0.462 1.00 0.66 H new ATOM 0 HD1 PHE A 118 7.650 4.462 -1.033 1.00 2.30 H new ATOM 0 HD2 PHE A 118 10.491 6.620 -3.429 1.00 1.67 H new ATOM 0 HE1 PHE A 118 8.175 2.382 -2.290 1.00 2.41 H new ATOM 0 HE2 PHE A 118 11.246 4.487 -4.440 1.00 1.67 H new ATOM 0 HZ PHE A 118 10.002 2.385 -3.977 1.00 1.14 H new ATOM 1758 N ILE A 119 5.502 5.817 -1.551 1.00 0.58 N ATOM 1759 CA ILE A 119 4.730 4.837 -0.806 1.00 0.52 C ATOM 1760 C ILE A 119 5.055 3.443 -1.361 1.00 0.53 C ATOM 1761 O ILE A 119 5.227 3.291 -2.571 1.00 0.65 O ATOM 1762 CB ILE A 119 3.231 5.203 -0.862 1.00 0.52 C ATOM 1763 CG1 ILE A 119 2.868 6.181 0.269 1.00 0.59 C ATOM 1764 CG2 ILE A 119 2.335 3.960 -0.825 1.00 0.59 C ATOM 1765 CD1 ILE A 119 1.823 7.205 -0.167 1.00 0.90 C ATOM 0 H ILE A 119 5.475 5.657 -2.558 1.00 0.58 H new ATOM 0 HA ILE A 119 4.995 4.833 0.251 1.00 0.52 H new ATOM 0 HB ILE A 119 3.051 5.698 -1.816 1.00 0.52 H new ATOM 0 HG12 ILE A 119 2.490 5.621 1.124 1.00 0.59 H new ATOM 0 HG13 ILE A 119 3.767 6.701 0.600 1.00 0.59 H new ATOM 0 HG21 ILE A 119 1.289 4.264 -0.866 1.00 0.59 H new ATOM 0 HG22 ILE A 119 2.562 3.323 -1.680 1.00 0.59 H new ATOM 0 HG23 ILE A 119 2.516 3.408 0.097 1.00 0.59 H new ATOM 0 HD11 ILE A 119 1.599 7.873 0.665 1.00 0.90 H new ATOM 0 HD12 ILE A 119 2.210 7.785 -1.005 1.00 0.90 H new ATOM 0 HD13 ILE A 119 0.913 6.689 -0.473 1.00 0.90 H new ATOM 1777 N SER A 120 5.148 2.442 -0.478 1.00 0.65 N ATOM 1778 CA SER A 120 5.293 1.022 -0.800 1.00 0.69 C ATOM 1779 C SER A 120 4.168 0.267 -0.077 1.00 0.69 C ATOM 1780 O SER A 120 3.682 0.765 0.943 1.00 0.80 O ATOM 1781 CB SER A 120 6.678 0.528 -0.337 1.00 0.84 C ATOM 1782 OG SER A 120 7.205 -0.497 -1.163 1.00 2.73 O ATOM 0 H SER A 120 5.123 2.611 0.528 1.00 0.65 H new ATOM 0 HA SER A 120 5.221 0.850 -1.874 1.00 0.69 H new ATOM 0 HB2 SER A 120 7.372 1.369 -0.323 1.00 0.84 H new ATOM 0 HB3 SER A 120 6.603 0.160 0.686 1.00 0.84 H new ATOM 0 HG SER A 120 6.473 -1.053 -1.502 1.00 2.73 H new ATOM 1788 N CYS A 121 3.780 -0.913 -0.563 1.00 0.74 N ATOM 1789 CA CYS A 121 2.785 -1.793 0.051 1.00 0.78 C ATOM 1790 C CYS A 121 3.180 -3.213 -0.295 1.00 0.79 C ATOM 1791 O CYS A 121 3.009 -3.611 -1.442 1.00 1.05 O ATOM 1792 CB CYS A 121 1.364 -1.574 -0.481 1.00 0.96 C ATOM 1793 SG CYS A 121 0.294 -0.392 0.358 1.00 1.53 S ATOM 0 H CYS A 121 4.164 -1.296 -1.427 1.00 0.74 H new ATOM 0 HA CYS A 121 2.770 -1.585 1.121 1.00 0.78 H new ATOM 0 HB2 CYS A 121 1.446 -1.263 -1.522 1.00 0.96 H new ATOM 0 HB3 CYS A 121 0.857 -2.539 -0.475 1.00 0.96 H new ATOM 1798 N ASN A 122 3.696 -3.969 0.668 1.00 0.64 N ATOM 1799 CA ASN A 122 4.158 -5.328 0.453 1.00 0.61 C ATOM 1800 C ASN A 122 3.022 -6.324 0.603 1.00 0.73 C ATOM 1801 O ASN A 122 2.101 -6.101 1.391 1.00 0.91 O ATOM 1802 CB ASN A 122 5.232 -5.681 1.477 1.00 0.82 C ATOM 1803 CG ASN A 122 6.104 -6.800 0.943 1.00 1.57 C ATOM 1804 OD1 ASN A 122 5.890 -7.971 1.242 1.00 3.11 O ATOM 1805 ND2 ASN A 122 7.109 -6.428 0.157 1.00 1.26 N ATOM 0 H ASN A 122 3.805 -3.648 1.630 1.00 0.64 H new ATOM 0 HA ASN A 122 4.558 -5.382 -0.560 1.00 0.61 H new ATOM 0 HB2 ASN A 122 5.842 -4.804 1.694 1.00 0.82 H new ATOM 0 HB3 ASN A 122 4.767 -5.986 2.415 1.00 0.82 H new ATOM 0 HD21 ASN A 122 7.743 -7.129 -0.226 1.00 1.26 H new ATOM 0 HD22 ASN A 122 7.246 -5.442 -0.063 1.00 1.26 H new ATOM 1812 N TYR A 123 3.115 -7.447 -0.106 1.00 0.72 N ATOM 1813 CA TYR A 123 2.179 -8.553 -0.008 1.00 0.85 C ATOM 1814 C TYR A 123 2.955 -9.848 -0.214 1.00 1.11 C ATOM 1815 O TYR A 123 3.839 -9.898 -1.069 1.00 1.31 O ATOM 1816 CB TYR A 123 1.096 -8.435 -1.087 1.00 0.67 C ATOM 1817 CG TYR A 123 0.558 -7.041 -1.321 1.00 0.57 C ATOM 1818 CD1 TYR A 123 -0.498 -6.526 -0.550 1.00 1.66 C ATOM 1819 CD2 TYR A 123 1.177 -6.230 -2.282 1.00 1.82 C ATOM 1820 CE1 TYR A 123 -1.027 -5.254 -0.847 1.00 1.64 C ATOM 1821 CE2 TYR A 123 0.681 -4.947 -2.536 1.00 1.84 C ATOM 1822 CZ TYR A 123 -0.444 -4.474 -1.856 1.00 0.55 C ATOM 1823 OH TYR A 123 -0.975 -3.278 -2.227 1.00 0.63 O ATOM 0 H TYR A 123 3.863 -7.612 -0.779 1.00 0.72 H new ATOM 0 HA TYR A 123 1.696 -8.541 0.969 1.00 0.85 H new ATOM 0 HB2 TYR A 123 1.501 -8.811 -2.026 1.00 0.67 H new ATOM 0 HB3 TYR A 123 0.265 -9.085 -0.815 1.00 0.67 H new ATOM 0 HD1 TYR A 123 -0.903 -7.103 0.268 1.00 1.66 H new ATOM 0 HD2 TYR A 123 2.036 -6.595 -2.826 1.00 1.82 H new ATOM 0 HE1 TYR A 123 -1.879 -4.881 -0.299 1.00 1.64 H new ATOM 0 HE2 TYR A 123 1.172 -4.317 -3.263 1.00 1.84 H new ATOM 0 HH TYR A 123 -1.804 -3.120 -1.729 1.00 0.63 H new ATOM 1833 N ASP A 124 2.625 -10.895 0.543 1.00 1.31 N ATOM 1834 CA ASP A 124 3.019 -12.269 0.228 1.00 1.65 C ATOM 1835 C ASP A 124 1.771 -13.153 0.316 1.00 1.51 C ATOM 1836 O ASP A 124 0.840 -12.748 1.023 1.00 1.40 O ATOM 1837 CB ASP A 124 4.055 -12.754 1.240 1.00 2.13 C ATOM 1838 CG ASP A 124 4.928 -13.849 0.688 1.00 2.95 C ATOM 1839 OD1 ASP A 124 5.744 -13.536 -0.204 1.00 4.12 O ATOM 1840 OD2 ASP A 124 4.792 -14.986 1.183 1.00 3.14 O ATOM 0 H ASP A 124 2.073 -10.813 1.397 1.00 1.31 H new ATOM 0 HA ASP A 124 3.452 -12.316 -0.771 1.00 1.65 H new ATOM 0 HB2 ASP A 124 4.680 -11.915 1.547 1.00 2.13 H new ATOM 0 HB3 ASP A 124 3.545 -13.115 2.133 1.00 2.13 H new ATOM 1845 N PRO A 125 1.716 -14.341 -0.310 1.00 1.49 N ATOM 1846 CA PRO A 125 2.549 -14.797 -1.422 1.00 1.65 C ATOM 1847 C PRO A 125 2.573 -13.778 -2.561 1.00 1.55 C ATOM 1848 O PRO A 125 1.788 -12.825 -2.562 1.00 1.41 O ATOM 1849 CB PRO A 125 1.967 -16.146 -1.862 1.00 1.70 C ATOM 1850 CG PRO A 125 0.552 -16.139 -1.296 1.00 1.39 C ATOM 1851 CD PRO A 125 0.703 -15.334 -0.014 1.00 1.35 C ATOM 0 HA PRO A 125 3.590 -14.907 -1.119 1.00 1.65 H new ATOM 0 HB2 PRO A 125 1.962 -16.244 -2.948 1.00 1.70 H new ATOM 0 HB3 PRO A 125 2.550 -16.979 -1.470 1.00 1.70 H new ATOM 0 HG2 PRO A 125 -0.156 -15.675 -1.983 1.00 1.39 H new ATOM 0 HG3 PRO A 125 0.191 -17.148 -1.099 1.00 1.39 H new ATOM 0 HD2 PRO A 125 -0.239 -14.864 0.270 1.00 1.35 H new ATOM 0 HD3 PRO A 125 1.005 -15.970 0.818 1.00 1.35 H new ATOM 1859 N VAL A 126 3.513 -13.952 -3.493 1.00 1.65 N ATOM 1860 CA VAL A 126 3.771 -12.980 -4.545 1.00 1.57 C ATOM 1861 C VAL A 126 2.480 -12.667 -5.290 1.00 1.33 C ATOM 1862 O VAL A 126 1.582 -13.509 -5.381 1.00 1.30 O ATOM 1863 CB VAL A 126 4.864 -13.446 -5.522 1.00 1.88 C ATOM 1864 CG1 VAL A 126 6.172 -13.786 -4.800 1.00 2.23 C ATOM 1865 CG2 VAL A 126 4.403 -14.616 -6.394 1.00 2.06 C ATOM 0 H VAL A 126 4.115 -14.774 -3.535 1.00 1.65 H new ATOM 0 HA VAL A 126 4.144 -12.073 -4.069 1.00 1.57 H new ATOM 0 HB VAL A 126 5.059 -12.602 -6.184 1.00 1.88 H new ATOM 0 HG11 VAL A 126 6.916 -14.110 -5.528 1.00 2.23 H new ATOM 0 HG12 VAL A 126 6.538 -12.903 -4.276 1.00 2.23 H new ATOM 0 HG13 VAL A 126 5.994 -14.587 -4.082 1.00 2.23 H new ATOM 0 HG21 VAL A 126 5.209 -14.908 -7.067 1.00 2.06 H new ATOM 0 HG22 VAL A 126 4.136 -15.460 -5.758 1.00 2.06 H new ATOM 0 HG23 VAL A 126 3.534 -14.314 -6.979 1.00 2.06 H new ATOM 1875 N GLY A 127 2.392 -11.458 -5.838 1.00 1.31 N ATOM 1876 CA GLY A 127 1.186 -11.010 -6.485 1.00 1.14 C ATOM 1877 C GLY A 127 1.465 -10.195 -7.722 1.00 1.07 C ATOM 1878 O GLY A 127 2.599 -9.826 -8.006 1.00 1.23 O ATOM 0 H GLY A 127 3.151 -10.777 -5.841 1.00 1.31 H new ATOM 0 HA2 GLY A 127 0.578 -11.874 -6.752 1.00 1.14 H new ATOM 0 HA3 GLY A 127 0.601 -10.413 -5.785 1.00 1.14 H new ATOM 1882 N ASN A 128 0.396 -10.007 -8.490 1.00 1.02 N ATOM 1883 CA ASN A 128 0.435 -9.561 -9.872 1.00 1.23 C ATOM 1884 C ASN A 128 1.316 -10.472 -10.733 1.00 1.55 C ATOM 1885 O ASN A 128 1.902 -10.042 -11.726 1.00 1.79 O ATOM 1886 CB ASN A 128 0.877 -8.095 -9.950 1.00 1.25 C ATOM 1887 CG ASN A 128 0.128 -7.387 -11.062 1.00 1.61 C ATOM 1888 OD1 ASN A 128 -0.049 -6.081 -10.942 1.00 2.10 O flip ATOM 1889 ND2 ASN A 128 -0.388 -8.008 -11.986 1.00 2.17 N flip ATOM 0 H ASN A 128 -0.553 -10.168 -8.152 1.00 1.02 H new ATOM 0 HA ASN A 128 -0.574 -9.627 -10.280 1.00 1.23 H new ATOM 0 HB2 ASN A 128 0.687 -7.598 -8.999 1.00 1.25 H new ATOM 0 HB3 ASN A 128 1.951 -8.039 -10.130 1.00 1.25 H new ATOM 0 HD21 ASN A 128 -0.244 -9.014 -12.067 1.00 2.17 H new ATOM 0 HD22 ASN A 128 -0.961 -7.518 -12.673 1.00 2.17 H new ATOM 1896 N TRP A 129 1.431 -11.728 -10.303 1.00 1.62 N ATOM 1897 CA TRP A 129 2.283 -12.754 -10.872 1.00 1.89 C ATOM 1898 C TRP A 129 1.421 -13.585 -11.826 1.00 2.15 C ATOM 1899 O TRP A 129 0.295 -13.946 -11.481 1.00 1.89 O ATOM 1900 CB TRP A 129 2.916 -13.525 -9.692 1.00 1.88 C ATOM 1901 CG TRP A 129 2.989 -15.017 -9.713 1.00 2.18 C ATOM 1902 CD1 TRP A 129 2.013 -15.835 -9.274 1.00 2.26 C ATOM 1903 CD2 TRP A 129 4.122 -15.888 -10.022 1.00 2.51 C ATOM 1904 NE1 TRP A 129 2.451 -17.139 -9.292 1.00 2.61 N ATOM 1905 CE2 TRP A 129 3.749 -17.234 -9.739 1.00 2.77 C ATOM 1906 CE3 TRP A 129 5.439 -15.680 -10.485 1.00 2.67 C ATOM 1907 CZ2 TRP A 129 4.630 -18.311 -9.907 1.00 3.15 C ATOM 1908 CZ3 TRP A 129 6.314 -16.758 -10.718 1.00 3.10 C ATOM 1909 CH2 TRP A 129 5.918 -18.072 -10.411 1.00 3.30 C ATOM 0 H TRP A 129 0.899 -12.069 -9.502 1.00 1.62 H new ATOM 0 HA TRP A 129 3.114 -12.379 -11.470 1.00 1.89 H new ATOM 0 HB2 TRP A 129 3.935 -13.155 -9.575 1.00 1.88 H new ATOM 0 HB3 TRP A 129 2.369 -13.242 -8.793 1.00 1.88 H new ATOM 0 HD1 TRP A 129 1.032 -15.515 -8.955 1.00 2.26 H new ATOM 0 HE1 TRP A 129 1.883 -17.938 -9.009 1.00 2.61 H new ATOM 0 HE3 TRP A 129 5.783 -14.672 -10.664 1.00 2.67 H new ATOM 0 HZ2 TRP A 129 4.321 -19.314 -9.651 1.00 3.15 H new ATOM 0 HZ3 TRP A 129 7.294 -16.575 -11.134 1.00 3.10 H new ATOM 0 HH2 TRP A 129 6.602 -18.894 -10.562 1.00 3.30 H new ATOM 1920 N ILE A 130 1.908 -13.879 -13.026 1.00 2.78 N ATOM 1921 CA ILE A 130 1.318 -14.934 -13.841 1.00 2.80 C ATOM 1922 C ILE A 130 1.648 -16.248 -13.134 1.00 2.63 C ATOM 1923 O ILE A 130 2.764 -16.397 -12.634 1.00 3.17 O ATOM 1924 CB ILE A 130 1.804 -14.843 -15.306 1.00 3.58 C ATOM 1925 CG1 ILE A 130 0.606 -14.499 -16.209 1.00 3.82 C ATOM 1926 CG2 ILE A 130 2.524 -16.104 -15.810 1.00 4.11 C ATOM 1927 CD1 ILE A 130 0.995 -14.146 -17.643 1.00 4.63 C ATOM 0 H ILE A 130 2.704 -13.406 -13.454 1.00 2.78 H new ATOM 0 HA ILE A 130 0.235 -14.844 -13.927 1.00 2.80 H new ATOM 0 HB ILE A 130 2.555 -14.054 -15.346 1.00 3.58 H new ATOM 0 HG12 ILE A 130 -0.079 -15.347 -16.227 1.00 3.82 H new ATOM 0 HG13 ILE A 130 0.064 -13.660 -15.773 1.00 3.82 H new ATOM 0 HG21 ILE A 130 2.832 -15.958 -16.845 1.00 4.11 H new ATOM 0 HG22 ILE A 130 3.402 -16.293 -15.193 1.00 4.11 H new ATOM 0 HG23 ILE A 130 1.848 -16.957 -15.750 1.00 4.11 H new ATOM 0 HD11 ILE A 130 0.098 -13.916 -18.217 1.00 4.63 H new ATOM 0 HD12 ILE A 130 1.655 -13.279 -17.638 1.00 4.63 H new ATOM 0 HD13 ILE A 130 1.510 -14.991 -18.099 1.00 4.63 H new ATOM 1939 N GLY A 131 0.678 -17.153 -13.057 1.00 2.27 N ATOM 1940 CA GLY A 131 0.765 -18.403 -12.322 1.00 2.40 C ATOM 1941 C GLY A 131 -0.624 -18.792 -11.826 1.00 2.43 C ATOM 1942 O GLY A 131 -1.185 -19.796 -12.265 1.00 3.36 O ATOM 0 H GLY A 131 -0.221 -17.029 -13.522 1.00 2.27 H new ATOM 0 HA2 GLY A 131 1.168 -19.188 -12.962 1.00 2.40 H new ATOM 0 HA3 GLY A 131 1.448 -18.296 -11.479 1.00 2.40 H new ATOM 1946 N GLN A 132 -1.190 -17.979 -10.930 1.00 1.89 N ATOM 1947 CA GLN A 132 -2.543 -18.143 -10.402 1.00 2.22 C ATOM 1948 C GLN A 132 -3.382 -16.908 -10.750 1.00 1.98 C ATOM 1949 O GLN A 132 -2.884 -15.993 -11.406 1.00 2.65 O ATOM 1950 CB GLN A 132 -2.512 -18.462 -8.899 1.00 2.48 C ATOM 1951 CG GLN A 132 -1.771 -17.439 -8.030 1.00 2.25 C ATOM 1952 CD GLN A 132 -0.313 -17.798 -7.732 1.00 2.59 C ATOM 1953 OE1 GLN A 132 0.284 -18.685 -8.337 1.00 4.08 O ATOM 1954 NE2 GLN A 132 0.313 -17.097 -6.796 1.00 2.17 N ATOM 0 H GLN A 132 -0.706 -17.169 -10.543 1.00 1.89 H new ATOM 0 HA GLN A 132 -3.024 -19.000 -10.873 1.00 2.22 H new ATOM 0 HB2 GLN A 132 -3.538 -18.544 -8.540 1.00 2.48 H new ATOM 0 HB3 GLN A 132 -2.046 -19.438 -8.760 1.00 2.48 H new ATOM 0 HG2 GLN A 132 -1.799 -16.470 -8.528 1.00 2.25 H new ATOM 0 HG3 GLN A 132 -2.305 -17.328 -7.086 1.00 2.25 H new ATOM 0 HE21 GLN A 132 -0.182 -16.360 -6.294 1.00 2.17 H new ATOM 0 HE22 GLN A 132 1.290 -17.294 -6.579 1.00 2.17 H new ATOM 1963 N ARG A 133 -4.655 -16.877 -10.354 1.00 1.82 N ATOM 1964 CA ARG A 133 -5.605 -15.856 -10.791 1.00 1.72 C ATOM 1965 C ARG A 133 -5.602 -14.665 -9.816 1.00 1.42 C ATOM 1966 O ARG A 133 -5.543 -14.892 -8.607 1.00 1.43 O ATOM 1967 CB ARG A 133 -6.997 -16.499 -10.916 1.00 2.00 C ATOM 1968 CG ARG A 133 -7.743 -16.002 -12.159 1.00 2.86 C ATOM 1969 CD ARG A 133 -9.092 -16.706 -12.332 1.00 3.36 C ATOM 1970 NE ARG A 133 -10.052 -16.284 -11.302 1.00 4.07 N ATOM 1971 CZ ARG A 133 -11.218 -16.886 -11.027 1.00 5.00 C ATOM 1972 NH1 ARG A 133 -11.482 -18.116 -11.461 1.00 5.13 N ATOM 1973 NH2 ARG A 133 -12.145 -16.257 -10.312 1.00 6.56 N ATOM 0 H ARG A 133 -5.057 -17.564 -9.717 1.00 1.82 H new ATOM 0 HA ARG A 133 -5.315 -15.463 -11.766 1.00 1.72 H new ATOM 0 HB2 ARG A 133 -6.894 -17.583 -10.963 1.00 2.00 H new ATOM 0 HB3 ARG A 133 -7.583 -16.273 -10.025 1.00 2.00 H new ATOM 0 HG2 ARG A 133 -7.902 -14.926 -12.082 1.00 2.86 H new ATOM 0 HG3 ARG A 133 -7.129 -16.171 -13.043 1.00 2.86 H new ATOM 0 HD2 ARG A 133 -9.495 -16.485 -13.320 1.00 3.36 H new ATOM 0 HD3 ARG A 133 -8.950 -17.785 -12.279 1.00 3.36 H new ATOM 0 HE ARG A 133 -9.810 -15.462 -10.749 1.00 4.07 H new ATOM 0 HH11 ARG A 133 -10.790 -18.621 -12.015 1.00 5.13 H new ATOM 0 HH12 ARG A 133 -12.376 -18.554 -11.239 1.00 5.13 H new ATOM 0 HH21 ARG A 133 -11.971 -15.312 -9.970 1.00 6.56 H new ATOM 0 HH22 ARG A 133 -13.030 -16.719 -10.105 1.00 6.56 H new ATOM 1987 N PRO A 134 -5.640 -13.407 -10.291 1.00 1.24 N ATOM 1988 CA PRO A 134 -5.722 -12.248 -9.413 1.00 1.03 C ATOM 1989 C PRO A 134 -7.049 -12.190 -8.668 1.00 0.98 C ATOM 1990 O PRO A 134 -7.063 -12.027 -7.449 1.00 0.94 O ATOM 1991 CB PRO A 134 -5.518 -11.011 -10.298 1.00 1.00 C ATOM 1992 CG PRO A 134 -5.810 -11.500 -11.716 1.00 1.22 C ATOM 1993 CD PRO A 134 -5.489 -12.993 -11.677 1.00 1.35 C ATOM 0 HA PRO A 134 -4.957 -12.302 -8.639 1.00 1.03 H new ATOM 0 HB2 PRO A 134 -6.191 -10.203 -10.011 1.00 1.00 H new ATOM 0 HB3 PRO A 134 -4.502 -10.626 -10.213 1.00 1.00 H new ATOM 0 HG2 PRO A 134 -6.850 -11.324 -11.991 1.00 1.22 H new ATOM 0 HG3 PRO A 134 -5.194 -10.980 -12.450 1.00 1.22 H new ATOM 0 HD2 PRO A 134 -6.163 -13.553 -12.326 1.00 1.35 H new ATOM 0 HD3 PRO A 134 -4.476 -13.182 -12.031 1.00 1.35 H new ATOM 2001 N TYR A 135 -8.143 -12.297 -9.414 1.00 1.19 N ATOM 2002 CA TYR A 135 -9.495 -12.366 -8.915 1.00 1.20 C ATOM 2003 C TYR A 135 -10.205 -13.419 -9.750 1.00 1.47 C ATOM 2004 O TYR A 135 -10.702 -14.375 -9.120 1.00 1.48 O ATOM 2005 CB TYR A 135 -10.204 -10.998 -8.940 1.00 1.08 C ATOM 2006 CG TYR A 135 -10.480 -10.242 -10.243 1.00 1.16 C ATOM 2007 CD1 TYR A 135 -9.824 -10.504 -11.460 1.00 2.04 C ATOM 2008 CD2 TYR A 135 -11.395 -9.178 -10.194 1.00 2.38 C ATOM 2009 CE1 TYR A 135 -10.165 -9.790 -12.625 1.00 2.00 C ATOM 2010 CE2 TYR A 135 -11.726 -8.450 -11.349 1.00 2.60 C ATOM 2011 CZ TYR A 135 -11.129 -8.772 -12.572 1.00 1.51 C ATOM 2012 OH TYR A 135 -11.506 -8.089 -13.687 1.00 1.84 O ATOM 2013 OXT TYR A 135 -9.776 -13.574 -10.918 1.00 3.00 O ATOM 0 H TYR A 135 -8.099 -12.339 -10.432 1.00 1.19 H new ATOM 0 HA TYR A 135 -9.506 -12.647 -7.862 1.00 1.20 H new ATOM 0 HB2 TYR A 135 -11.167 -11.136 -8.449 1.00 1.08 H new ATOM 0 HB3 TYR A 135 -9.617 -10.330 -8.309 1.00 1.08 H new ATOM 0 HD1 TYR A 135 -9.053 -11.259 -11.501 1.00 2.04 H new ATOM 0 HD2 TYR A 135 -11.852 -8.915 -9.252 1.00 2.38 H new ATOM 0 HE1 TYR A 135 -9.683 -10.027 -13.562 1.00 2.00 H new ATOM 0 HE2 TYR A 135 -12.441 -7.642 -11.293 1.00 2.60 H new ATOM 0 HH TYR A 135 -10.930 -8.345 -14.438 1.00 1.84 H new