USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1272 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 10 ASN : amide:sc= -9.45! C(o=-37!,f=-32!) USER MOD Set 1.2: A 48 GLN : amide:sc= -15.8! C(o=-37!,f=-31!) USER MOD Set 1.3: A 50 GLN : amide:sc= -12.3! C(o=-37!,f=-33!) USER MOD Set 2.1: A 42 THR OG1 : rot -110:sc= -1.76! USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 55 ASN : amide:sc= -3.09! K(o=-4.9!,f=-2.6) USER MOD Set 3.1: A 38 SER OG : rot 12:sc= 1.81 USER MOD Set 3.2: A 40 TYR OH : rot -66:sc= 0.681 USER MOD Set 3.3: A 157 LYS NZ :NH3+ -111:sc= -0.792! (180deg=-2.3!) USER MOD Set 4.1: A 17 GLN : amide:sc= -4.63 K(o=-10,f=-6.6) USER MOD Set 4.2: A 80 GLN : amide:sc= -5.61! C(o=-10!,f=-8.1!) USER MOD Single : A 1 THR N :NH3+ 147:sc= 0.00661 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00798 USER MOD Single : A 4 TYR OH : rot -148:sc= 0.841 USER MOD Single : A 9 SER OG : rot -110:sc= -3.11! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.92! K(o=-1.9!,f=-0.057) USER MOD Single : A 23 LYS NZ :NH3+ 144:sc= -6.21! (180deg=-7.62!) USER MOD Single : A 31 SER OG : rot 64:sc= -2.26! USER MOD Single : A 32 HIS : no HD1:sc= -0.392 K(o=-0.39,f=-1.1) USER MOD Single : A 35 THR OG1 : rot 154:sc= -1.78! USER MOD Single : A 37 SER OG : rot 139:sc= 0.377 USER MOD Single : A 62 THR OG1 : rot 115:sc= -11.2! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.751 K(o=-0.75,f=-2.3) USER MOD Single : A 72 HIS : no HD1:sc= -17.7! C(o=-18!,f=-18!) USER MOD Single : A 73 THR OG1 : rot -65:sc= 0.511 USER MOD Single : A 74 GLN : amide:sc= -0.995 X(o=-1,f=-0.76) USER MOD Single : A 79 GLN : amide:sc= -2.05! C(o=-2.1!,f=-4.6!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.784 USER MOD Single : A 99 MET CE :methyl 139:sc= -8.84! (180deg=-11.1!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 107 ASN : amide:sc= -2.85! K(o=-2.8!,f=-0.22) USER MOD Single : A 108 THR OG1 : rot 170:sc= -3.27! USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.12 K(o=-0.12,f=-0.87) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 155:sc= -6.03! (180deg=-8.14!) USER MOD Single : A 119 LYS NZ :NH3+ 135:sc= -0.0393 (180deg=-0.286) USER MOD Single : A 120 ASN : amide:sc= -0.354 K(o=-0.35,f=-0.98) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 MET CE :methyl 146:sc= -0.217 (180deg=-0.885) USER MOD Single : A 145 GLN : amide:sc= -12.5! C(o=-12!,f=-5.9!) USER MOD Single : A 148 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 136:sc= 0.134 (180deg=0) USER MOD Single : A 156 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -0.065 -13.712 -9.082 1.00 0.73 N ATOM 2 CA THR A 1 0.198 -13.080 -7.762 1.00 0.53 C ATOM 3 C THR A 1 0.531 -11.601 -7.916 1.00 0.47 C ATOM 4 O THR A 1 1.569 -11.241 -8.473 1.00 0.70 O ATOM 5 CB THR A 1 1.361 -13.817 -7.094 1.00 0.54 C ATOM 6 OG1 THR A 1 1.044 -15.185 -6.909 1.00 0.58 O ATOM 7 CG2 THR A 1 1.736 -13.247 -5.744 1.00 0.81 C ATOM 0 H1 THR A 1 0.255 -14.701 -9.063 1.00 0.73 H new ATOM 0 H2 THR A 1 -1.085 -13.682 -9.284 1.00 0.73 H new ATOM 0 H3 THR A 1 0.450 -13.195 -9.823 1.00 0.73 H new ATOM 0 HA THR A 1 -0.698 -13.151 -7.145 1.00 0.53 H new ATOM 0 HB THR A 1 2.208 -13.693 -7.769 1.00 0.54 H new ATOM 0 HG1 THR A 1 1.799 -15.641 -6.482 1.00 0.58 H new ATOM 0 HG21 THR A 1 2.567 -13.816 -5.327 1.00 0.81 H new ATOM 0 HG22 THR A 1 2.032 -12.204 -5.859 1.00 0.81 H new ATOM 0 HG23 THR A 1 0.880 -13.309 -5.072 1.00 0.81 H new ATOM 17 N VAL A 2 -0.356 -10.746 -7.415 1.00 0.44 N ATOM 18 CA VAL A 2 -0.159 -9.304 -7.492 1.00 0.42 C ATOM 19 C VAL A 2 0.049 -8.704 -6.107 1.00 0.38 C ATOM 20 O VAL A 2 -0.563 -9.140 -5.132 1.00 0.43 O ATOM 21 CB VAL A 2 -1.359 -8.603 -8.153 1.00 0.51 C ATOM 22 CG1 VAL A 2 -1.164 -7.099 -8.143 1.00 1.29 C ATOM 23 CG2 VAL A 2 -1.566 -9.102 -9.568 1.00 0.85 C ATOM 0 H VAL A 2 -1.219 -11.029 -6.951 1.00 0.44 H new ATOM 0 HA VAL A 2 0.731 -9.144 -8.101 1.00 0.42 H new ATOM 0 HB VAL A 2 -2.252 -8.842 -7.576 1.00 0.51 H new ATOM 0 HG11 VAL A 2 -2.021 -6.618 -8.614 1.00 1.29 H new ATOM 0 HG12 VAL A 2 -1.072 -6.751 -7.114 1.00 1.29 H new ATOM 0 HG13 VAL A 2 -0.258 -6.846 -8.694 1.00 1.29 H new ATOM 0 HG21 VAL A 2 -2.420 -8.591 -10.013 1.00 0.85 H new ATOM 0 HG22 VAL A 2 -0.673 -8.899 -10.160 1.00 0.85 H new ATOM 0 HG23 VAL A 2 -1.754 -10.176 -9.551 1.00 0.85 H new ATOM 33 N ALA A 3 0.911 -7.694 -6.030 1.00 0.38 N ATOM 34 CA ALA A 3 1.194 -7.031 -4.768 1.00 0.40 C ATOM 35 C ALA A 3 0.328 -5.790 -4.591 1.00 0.40 C ATOM 36 O ALA A 3 0.634 -4.717 -5.114 1.00 0.65 O ATOM 37 CB ALA A 3 2.663 -6.661 -4.683 1.00 0.43 C ATOM 0 H ALA A 3 1.424 -7.319 -6.828 1.00 0.38 H new ATOM 0 HA ALA A 3 0.957 -7.727 -3.963 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.859 -6.165 -3.732 1.00 0.43 H new ATOM 0 HB2 ALA A 3 3.270 -7.563 -4.754 1.00 0.43 H new ATOM 0 HB3 ALA A 3 2.917 -5.988 -5.502 1.00 0.43 H new ATOM 43 N TYR A 4 -0.742 -5.946 -3.829 1.00 0.25 N ATOM 44 CA TYR A 4 -1.659 -4.855 -3.540 1.00 0.24 C ATOM 45 C TYR A 4 -1.050 -3.968 -2.453 1.00 0.27 C ATOM 46 O TYR A 4 -1.201 -4.245 -1.265 1.00 0.35 O ATOM 47 CB TYR A 4 -2.992 -5.436 -3.076 1.00 0.25 C ATOM 48 CG TYR A 4 -3.763 -6.170 -4.160 1.00 0.27 C ATOM 49 CD1 TYR A 4 -3.112 -6.882 -5.161 1.00 0.55 C ATOM 50 CD2 TYR A 4 -5.149 -6.153 -4.173 1.00 0.62 C ATOM 51 CE1 TYR A 4 -3.821 -7.552 -6.138 1.00 0.61 C ATOM 52 CE2 TYR A 4 -5.863 -6.819 -5.145 1.00 0.66 C ATOM 53 CZ TYR A 4 -5.197 -7.516 -6.127 1.00 0.45 C ATOM 54 OH TYR A 4 -5.907 -8.183 -7.099 1.00 0.55 O ATOM 0 H TYR A 4 -1.000 -6.832 -3.393 1.00 0.25 H new ATOM 0 HA TYR A 4 -1.829 -4.253 -4.432 1.00 0.24 H new ATOM 0 HB2 TYR A 4 -2.808 -6.122 -2.249 1.00 0.25 H new ATOM 0 HB3 TYR A 4 -3.612 -4.628 -2.688 1.00 0.25 H new ATOM 0 HD1 TYR A 4 -2.032 -6.912 -5.175 1.00 0.55 H new ATOM 0 HD2 TYR A 4 -5.679 -5.607 -3.407 1.00 0.62 H new ATOM 0 HE1 TYR A 4 -3.299 -8.102 -6.907 1.00 0.61 H new ATOM 0 HE2 TYR A 4 -6.943 -6.794 -5.136 1.00 0.66 H new ATOM 0 HH TYR A 4 -6.736 -7.697 -7.290 1.00 0.55 H new ATOM 64 N ILE A 5 -0.313 -2.934 -2.862 1.00 0.28 N ATOM 65 CA ILE A 5 0.365 -2.059 -1.905 1.00 0.34 C ATOM 66 C ILE A 5 -0.215 -0.645 -1.877 1.00 0.34 C ATOM 67 O ILE A 5 -0.897 -0.218 -2.808 1.00 0.39 O ATOM 68 CB ILE A 5 1.864 -1.965 -2.242 1.00 0.41 C ATOM 69 CG1 ILE A 5 2.386 -3.328 -2.700 1.00 0.44 C ATOM 70 CG2 ILE A 5 2.647 -1.469 -1.035 1.00 0.53 C ATOM 71 CD1 ILE A 5 3.844 -3.319 -3.112 1.00 0.95 C ATOM 0 H ILE A 5 -0.171 -2.684 -3.841 1.00 0.28 H new ATOM 0 HA ILE A 5 0.214 -2.505 -0.922 1.00 0.34 H new ATOM 0 HB ILE A 5 1.999 -1.251 -3.055 1.00 0.41 H new ATOM 0 HG12 ILE A 5 2.251 -4.048 -1.893 1.00 0.44 H new ATOM 0 HG13 ILE A 5 1.783 -3.674 -3.540 1.00 0.44 H new ATOM 0 HG21 ILE A 5 3.705 -1.408 -1.288 1.00 0.53 H new ATOM 0 HG22 ILE A 5 2.285 -0.482 -0.747 1.00 0.53 H new ATOM 0 HG23 ILE A 5 2.512 -2.162 -0.204 1.00 0.53 H new ATOM 0 HD11 ILE A 5 4.140 -4.321 -3.424 1.00 0.95 H new ATOM 0 HD12 ILE A 5 3.984 -2.625 -3.941 1.00 0.95 H new ATOM 0 HD13 ILE A 5 4.459 -3.005 -2.268 1.00 0.95 H new ATOM 83 N ALA A 6 0.084 0.081 -0.794 1.00 0.40 N ATOM 84 CA ALA A 6 -0.381 1.458 -0.627 1.00 0.44 C ATOM 85 C ALA A 6 0.806 2.404 -0.464 1.00 0.42 C ATOM 86 O ALA A 6 1.885 1.988 -0.052 1.00 0.58 O ATOM 87 CB ALA A 6 -1.313 1.567 0.570 1.00 0.53 C ATOM 0 H ALA A 6 0.648 -0.266 -0.018 1.00 0.40 H new ATOM 0 HA ALA A 6 -0.935 1.745 -1.521 1.00 0.44 H new ATOM 0 HB1 ALA A 6 -1.648 2.599 0.678 1.00 0.53 H new ATOM 0 HB2 ALA A 6 -2.176 0.919 0.419 1.00 0.53 H new ATOM 0 HB3 ALA A 6 -0.783 1.262 1.472 1.00 0.53 H new ATOM 93 N ILE A 7 0.609 3.678 -0.801 1.00 0.41 N ATOM 94 CA ILE A 7 1.682 4.665 -0.695 1.00 0.40 C ATOM 95 C ILE A 7 1.178 5.975 -0.085 1.00 0.44 C ATOM 96 O ILE A 7 0.019 6.349 -0.271 1.00 0.52 O ATOM 97 CB ILE A 7 2.296 4.946 -2.083 1.00 0.50 C ATOM 98 CG1 ILE A 7 2.772 3.635 -2.718 1.00 0.65 C ATOM 99 CG2 ILE A 7 3.444 5.939 -1.967 1.00 0.53 C ATOM 100 CD1 ILE A 7 3.175 3.766 -4.170 1.00 0.99 C ATOM 0 H ILE A 7 -0.276 4.049 -1.147 1.00 0.41 H new ATOM 0 HA ILE A 7 2.445 4.249 -0.038 1.00 0.40 H new ATOM 0 HB ILE A 7 1.533 5.387 -2.725 1.00 0.50 H new ATOM 0 HG12 ILE A 7 3.620 3.255 -2.149 1.00 0.65 H new ATOM 0 HG13 ILE A 7 1.976 2.894 -2.638 1.00 0.65 H new ATOM 0 HG21 ILE A 7 3.865 6.125 -2.955 1.00 0.53 H new ATOM 0 HG22 ILE A 7 3.075 6.875 -1.547 1.00 0.53 H new ATOM 0 HG23 ILE A 7 4.215 5.529 -1.315 1.00 0.53 H new ATOM 0 HD11 ILE A 7 3.499 2.796 -4.546 1.00 0.99 H new ATOM 0 HD12 ILE A 7 2.323 4.115 -4.754 1.00 0.99 H new ATOM 0 HD13 ILE A 7 3.993 4.481 -4.257 1.00 0.99 H new ATOM 112 N GLY A 8 2.055 6.667 0.646 1.00 0.50 N ATOM 113 CA GLY A 8 1.671 7.923 1.270 1.00 0.61 C ATOM 114 C GLY A 8 2.869 8.802 1.583 1.00 0.62 C ATOM 115 O GLY A 8 3.965 8.298 1.828 1.00 0.90 O ATOM 0 H GLY A 8 3.019 6.380 0.815 1.00 0.50 H new ATOM 0 HA2 GLY A 8 0.991 8.461 0.609 1.00 0.61 H new ATOM 0 HA3 GLY A 8 1.124 7.717 2.190 1.00 0.61 H new ATOM 119 N SER A 9 2.665 10.118 1.565 1.00 0.56 N ATOM 120 CA SER A 9 3.749 11.060 1.836 1.00 0.63 C ATOM 121 C SER A 9 3.226 12.412 2.320 1.00 0.66 C ATOM 122 O SER A 9 2.149 12.851 1.918 1.00 0.77 O ATOM 123 CB SER A 9 4.585 11.244 0.572 1.00 0.77 C ATOM 124 OG SER A 9 3.756 11.391 -0.566 1.00 1.58 O ATOM 0 H SER A 9 1.765 10.554 1.367 1.00 0.56 H new ATOM 0 HA SER A 9 4.364 10.646 2.635 1.00 0.63 H new ATOM 0 HB2 SER A 9 5.223 12.122 0.678 1.00 0.77 H new ATOM 0 HB3 SER A 9 5.243 10.386 0.439 1.00 0.77 H new ATOM 0 HG SER A 9 3.832 10.594 -1.131 1.00 1.58 H new ATOM 130 N ASN A 10 4.001 13.069 3.188 1.00 0.69 N ATOM 131 CA ASN A 10 3.615 14.373 3.728 1.00 0.79 C ATOM 132 C ASN A 10 4.822 15.243 4.073 1.00 0.83 C ATOM 133 O ASN A 10 4.839 16.437 3.772 1.00 0.98 O ATOM 134 CB ASN A 10 2.766 14.207 4.990 1.00 0.99 C ATOM 135 CG ASN A 10 1.341 13.793 4.697 1.00 1.05 C ATOM 136 OD1 ASN A 10 0.653 14.434 3.905 1.00 2.01 O ATOM 137 ND2 ASN A 10 0.881 12.737 5.357 1.00 1.01 N ATOM 0 H ASN A 10 4.896 12.720 3.530 1.00 0.69 H new ATOM 0 HA ASN A 10 3.041 14.867 2.944 1.00 0.79 H new ATOM 0 HB2 ASN A 10 3.229 13.461 5.636 1.00 0.99 H new ATOM 0 HB3 ASN A 10 2.759 15.147 5.542 1.00 0.99 H new ATOM 0 HD21 ASN A 10 -0.080 12.427 5.216 1.00 1.01 H new ATOM 0 HD22 ASN A 10 1.489 12.236 6.005 1.00 1.01 H new ATOM 144 N LEU A 11 5.803 14.656 4.748 1.00 0.83 N ATOM 145 CA LEU A 11 6.981 15.402 5.181 1.00 0.95 C ATOM 146 C LEU A 11 8.086 15.439 4.125 1.00 0.93 C ATOM 147 O LEU A 11 9.269 15.420 4.468 1.00 1.38 O ATOM 148 CB LEU A 11 7.526 14.806 6.484 1.00 1.12 C ATOM 149 CG LEU A 11 6.490 14.585 7.590 1.00 0.90 C ATOM 150 CD1 LEU A 11 7.172 14.157 8.881 1.00 1.77 C ATOM 151 CD2 LEU A 11 5.658 15.840 7.814 1.00 1.54 C ATOM 0 H LEU A 11 5.808 13.669 5.007 1.00 0.83 H new ATOM 0 HA LEU A 11 6.662 16.432 5.342 1.00 0.95 H new ATOM 0 HB2 LEU A 11 7.999 13.851 6.257 1.00 1.12 H new ATOM 0 HB3 LEU A 11 8.306 15.465 6.867 1.00 1.12 H new ATOM 0 HG LEU A 11 5.819 13.787 7.273 1.00 0.90 H new ATOM 0 HD11 LEU A 11 6.421 14.004 9.656 1.00 1.77 H new ATOM 0 HD12 LEU A 11 7.716 13.227 8.714 1.00 1.77 H new ATOM 0 HD13 LEU A 11 7.869 14.933 9.199 1.00 1.77 H new ATOM 0 HD21 LEU A 11 4.930 15.657 8.604 1.00 1.54 H new ATOM 0 HD22 LEU A 11 6.311 16.662 8.106 1.00 1.54 H new ATOM 0 HD23 LEU A 11 5.136 16.100 6.893 1.00 1.54 H new ATOM 163 N ALA A 12 7.706 15.512 2.847 1.00 0.84 N ATOM 164 CA ALA A 12 8.688 15.572 1.761 1.00 0.91 C ATOM 165 C ALA A 12 8.021 15.565 0.390 1.00 0.95 C ATOM 166 O ALA A 12 8.197 14.623 -0.383 1.00 1.72 O ATOM 167 CB ALA A 12 9.674 14.416 1.862 1.00 0.97 C ATOM 0 H ALA A 12 6.733 15.531 2.540 1.00 0.84 H new ATOM 0 HA ALA A 12 9.226 16.514 1.868 1.00 0.91 H new ATOM 0 HB1 ALA A 12 10.394 14.480 1.046 1.00 0.97 H new ATOM 0 HB2 ALA A 12 10.200 14.469 2.815 1.00 0.97 H new ATOM 0 HB3 ALA A 12 9.135 13.471 1.797 1.00 0.97 H new ATOM 173 N SER A 13 7.264 16.620 0.090 1.00 0.81 N ATOM 174 CA SER A 13 6.579 16.735 -1.197 1.00 0.79 C ATOM 175 C SER A 13 5.847 15.437 -1.541 1.00 0.71 C ATOM 176 O SER A 13 6.410 14.548 -2.180 1.00 0.71 O ATOM 177 CB SER A 13 7.578 17.081 -2.302 1.00 0.89 C ATOM 178 OG SER A 13 8.226 18.312 -2.036 1.00 1.47 O ATOM 0 H SER A 13 7.110 17.407 0.720 1.00 0.81 H new ATOM 0 HA SER A 13 5.844 17.536 -1.120 1.00 0.79 H new ATOM 0 HB2 SER A 13 8.320 16.287 -2.388 1.00 0.89 H new ATOM 0 HB3 SER A 13 7.060 17.138 -3.260 1.00 0.89 H new ATOM 0 HG SER A 13 8.861 18.510 -2.756 1.00 1.47 H new ATOM 184 N PRO A 14 4.579 15.308 -1.113 1.00 0.69 N ATOM 185 CA PRO A 14 3.778 14.108 -1.370 1.00 0.66 C ATOM 186 C PRO A 14 3.707 13.735 -2.852 1.00 0.67 C ATOM 187 O PRO A 14 3.286 12.631 -3.201 1.00 0.66 O ATOM 188 CB PRO A 14 2.387 14.487 -0.854 1.00 0.68 C ATOM 189 CG PRO A 14 2.634 15.552 0.155 1.00 0.80 C ATOM 190 CD PRO A 14 3.831 16.316 -0.338 1.00 0.78 C ATOM 0 HA PRO A 14 4.212 13.234 -0.885 1.00 0.66 H new ATOM 0 HB2 PRO A 14 1.750 14.847 -1.662 1.00 0.68 H new ATOM 0 HB3 PRO A 14 1.883 13.629 -0.409 1.00 0.68 H new ATOM 0 HG2 PRO A 14 1.767 16.205 0.254 1.00 0.80 H new ATOM 0 HG3 PRO A 14 2.823 15.122 1.139 1.00 0.80 H new ATOM 0 HD2 PRO A 14 3.540 17.165 -0.957 1.00 0.78 H new ATOM 0 HD3 PRO A 14 4.424 16.711 0.487 1.00 0.78 H new ATOM 198 N LEU A 15 4.107 14.660 -3.717 1.00 0.73 N ATOM 199 CA LEU A 15 4.072 14.425 -5.161 1.00 0.78 C ATOM 200 C LEU A 15 5.331 13.716 -5.664 1.00 0.73 C ATOM 201 O LEU A 15 5.271 12.938 -6.617 1.00 0.79 O ATOM 202 CB LEU A 15 3.894 15.752 -5.901 1.00 0.92 C ATOM 203 CG LEU A 15 3.866 15.649 -7.430 1.00 0.98 C ATOM 204 CD1 LEU A 15 2.695 14.794 -7.891 1.00 1.00 C ATOM 205 CD2 LEU A 15 3.792 17.033 -8.054 1.00 1.15 C ATOM 0 H LEU A 15 4.459 15.579 -3.447 1.00 0.73 H new ATOM 0 HA LEU A 15 3.225 13.770 -5.363 1.00 0.78 H new ATOM 0 HB2 LEU A 15 2.965 16.214 -5.567 1.00 0.92 H new ATOM 0 HB3 LEU A 15 4.704 16.422 -5.613 1.00 0.92 H new ATOM 0 HG LEU A 15 4.789 15.170 -7.757 1.00 0.98 H new ATOM 0 HD11 LEU A 15 2.694 14.734 -8.979 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.789 13.792 -7.473 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.761 15.242 -7.552 1.00 1.00 H new ATOM 0 HD21 LEU A 15 3.773 16.942 -9.140 1.00 1.15 H new ATOM 0 HD22 LEU A 15 2.886 17.537 -7.716 1.00 1.15 H new ATOM 0 HD23 LEU A 15 4.664 17.614 -7.754 1.00 1.15 H new ATOM 217 N GLU A 16 6.472 14.002 -5.042 1.00 0.71 N ATOM 218 CA GLU A 16 7.739 13.408 -5.450 1.00 0.71 C ATOM 219 C GLU A 16 7.903 11.983 -4.933 1.00 0.63 C ATOM 220 O GLU A 16 8.516 11.142 -5.592 1.00 0.65 O ATOM 221 CB GLU A 16 8.886 14.265 -4.934 1.00 0.81 C ATOM 222 CG GLU A 16 8.942 15.651 -5.553 1.00 0.95 C ATOM 223 CD GLU A 16 10.124 16.463 -5.058 1.00 1.57 C ATOM 224 OE1 GLU A 16 10.221 16.682 -3.832 1.00 2.35 O ATOM 225 OE2 GLU A 16 10.952 16.879 -5.896 1.00 2.01 O ATOM 0 H GLU A 16 6.543 14.643 -4.252 1.00 0.71 H new ATOM 0 HA GLU A 16 7.748 13.367 -6.539 1.00 0.71 H new ATOM 0 HB2 GLU A 16 8.795 14.364 -3.852 1.00 0.81 H new ATOM 0 HB3 GLU A 16 9.827 13.752 -5.130 1.00 0.81 H new ATOM 0 HG2 GLU A 16 8.998 15.559 -6.638 1.00 0.95 H new ATOM 0 HG3 GLU A 16 8.019 16.184 -5.326 1.00 0.95 H new ATOM 232 N GLN A 17 7.385 11.726 -3.741 1.00 0.59 N ATOM 233 CA GLN A 17 7.506 10.409 -3.124 1.00 0.56 C ATOM 234 C GLN A 17 6.696 9.351 -3.866 1.00 0.55 C ATOM 235 O GLN A 17 6.985 8.160 -3.759 1.00 0.61 O ATOM 236 CB GLN A 17 7.072 10.482 -1.662 1.00 0.62 C ATOM 237 CG GLN A 17 7.724 11.627 -0.901 1.00 0.71 C ATOM 238 CD GLN A 17 9.241 11.527 -0.853 1.00 1.20 C ATOM 239 OE1 GLN A 17 9.924 12.501 -0.539 1.00 1.99 O ATOM 240 NE2 GLN A 17 9.777 10.343 -1.133 1.00 1.63 N ATOM 0 H GLN A 17 6.877 12.410 -3.180 1.00 0.59 H new ATOM 0 HA GLN A 17 8.553 10.110 -3.180 1.00 0.56 H new ATOM 0 HB2 GLN A 17 5.989 10.594 -1.616 1.00 0.62 H new ATOM 0 HB3 GLN A 17 7.316 9.541 -1.169 1.00 0.62 H new ATOM 0 HG2 GLN A 17 7.443 12.571 -1.367 1.00 0.71 H new ATOM 0 HG3 GLN A 17 7.335 11.646 0.117 1.00 0.71 H new ATOM 0 HE21 GLN A 17 9.177 9.559 -1.389 1.00 1.63 H new ATOM 0 HE22 GLN A 17 10.789 10.218 -1.091 1.00 1.63 H new ATOM 249 N VAL A 18 5.684 9.781 -4.611 1.00 0.56 N ATOM 250 CA VAL A 18 4.844 8.851 -5.362 1.00 0.62 C ATOM 251 C VAL A 18 5.489 8.468 -6.689 1.00 0.60 C ATOM 252 O VAL A 18 5.300 7.355 -7.178 1.00 0.64 O ATOM 253 CB VAL A 18 3.444 9.437 -5.628 1.00 0.76 C ATOM 254 CG1 VAL A 18 2.584 8.448 -6.399 1.00 0.82 C ATOM 255 CG2 VAL A 18 2.773 9.826 -4.320 1.00 0.83 C ATOM 0 H VAL A 18 5.425 10.762 -4.712 1.00 0.56 H new ATOM 0 HA VAL A 18 4.740 7.958 -4.745 1.00 0.62 H new ATOM 0 HB VAL A 18 3.558 10.334 -6.237 1.00 0.76 H new ATOM 0 HG11 VAL A 18 1.600 8.882 -6.576 1.00 0.82 H new ATOM 0 HG12 VAL A 18 3.058 8.221 -7.354 1.00 0.82 H new ATOM 0 HG13 VAL A 18 2.477 7.531 -5.820 1.00 0.82 H new ATOM 0 HG21 VAL A 18 1.785 10.238 -4.526 1.00 0.83 H new ATOM 0 HG22 VAL A 18 2.673 8.945 -3.686 1.00 0.83 H new ATOM 0 HG23 VAL A 18 3.379 10.574 -3.809 1.00 0.83 H new ATOM 265 N ASN A 19 6.252 9.389 -7.265 1.00 0.60 N ATOM 266 CA ASN A 19 6.916 9.127 -8.535 1.00 0.64 C ATOM 267 C ASN A 19 7.899 7.970 -8.412 1.00 0.56 C ATOM 268 O ASN A 19 7.790 6.981 -9.132 1.00 0.63 O ATOM 269 CB ASN A 19 7.646 10.377 -9.027 1.00 0.72 C ATOM 270 CG ASN A 19 6.693 11.493 -9.407 1.00 0.82 C ATOM 271 OD1 ASN A 19 5.793 11.305 -10.226 1.00 0.92 O ATOM 272 ND2 ASN A 19 6.893 12.668 -8.824 1.00 0.84 N ATOM 0 H ASN A 19 6.425 10.316 -6.877 1.00 0.60 H new ATOM 0 HA ASN A 19 6.149 8.854 -9.260 1.00 0.64 H new ATOM 0 HB2 ASN A 19 8.322 10.730 -8.248 1.00 0.72 H new ATOM 0 HB3 ASN A 19 8.261 10.119 -9.889 1.00 0.72 H new ATOM 0 HD21 ASN A 19 6.289 13.458 -9.049 1.00 0.84 H new ATOM 0 HD22 ASN A 19 7.651 12.781 -8.151 1.00 0.84 H new ATOM 279 N ALA A 20 8.859 8.099 -7.501 1.00 0.47 N ATOM 280 CA ALA A 20 9.864 7.061 -7.294 1.00 0.42 C ATOM 281 C ALA A 20 9.254 5.790 -6.712 1.00 0.35 C ATOM 282 O ALA A 20 9.732 4.688 -6.976 1.00 0.36 O ATOM 283 CB ALA A 20 10.975 7.575 -6.391 1.00 0.43 C ATOM 0 H ALA A 20 8.962 8.912 -6.894 1.00 0.47 H new ATOM 0 HA ALA A 20 10.283 6.809 -8.268 1.00 0.42 H new ATOM 0 HB1 ALA A 20 11.718 6.791 -6.245 1.00 0.43 H new ATOM 0 HB2 ALA A 20 11.448 8.441 -6.853 1.00 0.43 H new ATOM 0 HB3 ALA A 20 10.556 7.862 -5.426 1.00 0.43 H new ATOM 289 N ALA A 21 8.206 5.947 -5.911 1.00 0.36 N ATOM 290 CA ALA A 21 7.542 4.806 -5.290 1.00 0.39 C ATOM 291 C ALA A 21 7.051 3.807 -6.336 1.00 0.41 C ATOM 292 O ALA A 21 7.340 2.614 -6.250 1.00 0.44 O ATOM 293 CB ALA A 21 6.383 5.274 -4.426 1.00 0.46 C ATOM 0 H ALA A 21 7.798 6.852 -5.676 1.00 0.36 H new ATOM 0 HA ALA A 21 8.273 4.299 -4.660 1.00 0.39 H new ATOM 0 HB1 ALA A 21 5.898 4.411 -3.970 1.00 0.46 H new ATOM 0 HB2 ALA A 21 6.756 5.936 -3.645 1.00 0.46 H new ATOM 0 HB3 ALA A 21 5.663 5.811 -5.043 1.00 0.46 H new ATOM 299 N LEU A 22 6.296 4.301 -7.314 1.00 0.47 N ATOM 300 CA LEU A 22 5.752 3.446 -8.366 1.00 0.53 C ATOM 301 C LEU A 22 6.758 3.232 -9.498 1.00 0.50 C ATOM 302 O LEU A 22 6.707 2.219 -10.195 1.00 0.64 O ATOM 303 CB LEU A 22 4.446 4.044 -8.908 1.00 0.70 C ATOM 304 CG LEU A 22 4.538 5.477 -9.444 1.00 0.81 C ATOM 305 CD1 LEU A 22 5.187 5.508 -10.819 1.00 1.28 C ATOM 306 CD2 LEU A 22 3.156 6.112 -9.494 1.00 1.35 C ATOM 0 H LEU A 22 6.047 5.286 -7.400 1.00 0.47 H new ATOM 0 HA LEU A 22 5.542 2.469 -7.930 1.00 0.53 H new ATOM 0 HB2 LEU A 22 4.079 3.401 -9.707 1.00 0.70 H new ATOM 0 HB3 LEU A 22 3.701 4.021 -8.113 1.00 0.70 H new ATOM 0 HG LEU A 22 5.165 6.053 -8.764 1.00 0.81 H new ATOM 0 HD11 LEU A 22 5.239 6.537 -11.174 1.00 1.28 H new ATOM 0 HD12 LEU A 22 6.194 5.095 -10.756 1.00 1.28 H new ATOM 0 HD13 LEU A 22 4.594 4.914 -11.515 1.00 1.28 H new ATOM 0 HD21 LEU A 22 3.237 7.129 -9.877 1.00 1.35 H new ATOM 0 HD22 LEU A 22 2.511 5.528 -10.150 1.00 1.35 H new ATOM 0 HD23 LEU A 22 2.729 6.134 -8.491 1.00 1.35 H new ATOM 318 N LYS A 23 7.665 4.188 -9.682 1.00 0.45 N ATOM 319 CA LYS A 23 8.670 4.089 -10.742 1.00 0.49 C ATOM 320 C LYS A 23 9.681 2.990 -10.428 1.00 0.43 C ATOM 321 O LYS A 23 10.122 2.269 -11.322 1.00 0.51 O ATOM 322 CB LYS A 23 9.380 5.437 -10.930 1.00 0.56 C ATOM 323 CG LYS A 23 10.277 5.514 -12.163 1.00 0.93 C ATOM 324 CD LYS A 23 11.616 4.808 -11.965 1.00 1.62 C ATOM 325 CE LYS A 23 12.515 5.545 -10.978 1.00 2.52 C ATOM 326 NZ LYS A 23 11.964 5.543 -9.595 1.00 3.23 N ATOM 0 H LYS A 23 7.727 5.035 -9.117 1.00 0.45 H new ATOM 0 HA LYS A 23 8.165 3.829 -11.672 1.00 0.49 H new ATOM 0 HB2 LYS A 23 8.628 6.223 -10.994 1.00 0.56 H new ATOM 0 HB3 LYS A 23 9.982 5.643 -10.045 1.00 0.56 H new ATOM 0 HG2 LYS A 23 9.759 5.069 -13.012 1.00 0.93 H new ATOM 0 HG3 LYS A 23 10.456 6.560 -12.412 1.00 0.93 H new ATOM 0 HD2 LYS A 23 11.441 3.794 -11.607 1.00 1.62 H new ATOM 0 HD3 LYS A 23 12.126 4.723 -12.925 1.00 1.62 H new ATOM 0 HE2 LYS A 23 13.501 5.081 -10.973 1.00 2.52 H new ATOM 0 HE3 LYS A 23 12.648 6.574 -11.311 1.00 2.52 H new ATOM 0 HZ1 LYS A 23 12.744 5.467 -8.911 1.00 3.23 H new ATOM 0 HZ2 LYS A 23 11.442 6.427 -9.428 1.00 3.23 H new ATOM 0 HZ3 LYS A 23 11.321 4.734 -9.479 1.00 3.23 H new ATOM 340 N ALA A 24 10.041 2.869 -9.155 1.00 0.37 N ATOM 341 CA ALA A 24 11.000 1.858 -8.724 1.00 0.41 C ATOM 342 C ALA A 24 10.499 0.454 -9.039 1.00 0.41 C ATOM 343 O ALA A 24 11.288 -0.486 -9.151 1.00 0.43 O ATOM 344 CB ALA A 24 11.277 1.995 -7.235 1.00 0.46 C ATOM 0 H ALA A 24 9.683 3.458 -8.403 1.00 0.37 H new ATOM 0 HA ALA A 24 11.927 2.017 -9.274 1.00 0.41 H new ATOM 0 HB1 ALA A 24 11.994 1.234 -6.927 1.00 0.46 H new ATOM 0 HB2 ALA A 24 11.687 2.984 -7.031 1.00 0.46 H new ATOM 0 HB3 ALA A 24 10.349 1.865 -6.679 1.00 0.46 H new ATOM 350 N LEU A 25 9.185 0.313 -9.184 1.00 0.43 N ATOM 351 CA LEU A 25 8.583 -0.981 -9.486 1.00 0.48 C ATOM 352 C LEU A 25 9.048 -1.496 -10.844 1.00 0.49 C ATOM 353 O LEU A 25 8.890 -2.672 -11.158 1.00 0.57 O ATOM 354 CB LEU A 25 7.055 -0.876 -9.459 1.00 0.53 C ATOM 355 CG LEU A 25 6.458 -0.391 -8.135 1.00 0.70 C ATOM 356 CD1 LEU A 25 4.947 -0.259 -8.250 1.00 0.95 C ATOM 357 CD2 LEU A 25 6.825 -1.338 -7.001 1.00 1.00 C ATOM 0 H LEU A 25 8.517 1.079 -9.097 1.00 0.43 H new ATOM 0 HA LEU A 25 8.904 -1.690 -8.722 1.00 0.48 H new ATOM 0 HB2 LEU A 25 6.739 -0.198 -10.252 1.00 0.53 H new ATOM 0 HB3 LEU A 25 6.635 -1.855 -9.691 1.00 0.53 H new ATOM 0 HG LEU A 25 6.875 0.590 -7.910 1.00 0.70 H new ATOM 0 HD11 LEU A 25 4.539 0.087 -7.300 1.00 0.95 H new ATOM 0 HD12 LEU A 25 4.703 0.459 -9.033 1.00 0.95 H new ATOM 0 HD13 LEU A 25 4.515 -1.228 -8.499 1.00 0.95 H new ATOM 0 HD21 LEU A 25 6.391 -0.975 -6.069 1.00 1.00 H new ATOM 0 HD22 LEU A 25 6.438 -2.333 -7.218 1.00 1.00 H new ATOM 0 HD23 LEU A 25 7.910 -1.384 -6.902 1.00 1.00 H new ATOM 369 N GLY A 26 9.625 -0.607 -11.647 1.00 0.47 N ATOM 370 CA GLY A 26 10.110 -1.001 -12.957 1.00 0.53 C ATOM 371 C GLY A 26 11.430 -1.744 -12.877 1.00 0.50 C ATOM 372 O GLY A 26 11.967 -2.187 -13.892 1.00 0.64 O ATOM 0 H GLY A 26 9.765 0.376 -11.415 1.00 0.47 H new ATOM 0 HA2 GLY A 26 9.367 -1.634 -13.443 1.00 0.53 H new ATOM 0 HA3 GLY A 26 10.230 -0.115 -13.580 1.00 0.53 H new ATOM 376 N ASP A 27 11.950 -1.881 -11.658 1.00 0.43 N ATOM 377 CA ASP A 27 13.213 -2.574 -11.428 1.00 0.46 C ATOM 378 C ASP A 27 13.340 -2.970 -9.958 1.00 0.41 C ATOM 379 O ASP A 27 14.360 -2.714 -9.317 1.00 0.56 O ATOM 380 CB ASP A 27 14.389 -1.687 -11.843 1.00 0.59 C ATOM 381 CG ASP A 27 15.720 -2.410 -11.761 1.00 1.05 C ATOM 382 OD1 ASP A 27 15.887 -3.426 -12.466 1.00 1.50 O ATOM 383 OD2 ASP A 27 16.595 -1.958 -10.993 1.00 1.48 O ATOM 0 H ASP A 27 11.512 -1.518 -10.811 1.00 0.43 H new ATOM 0 HA ASP A 27 13.229 -3.479 -12.035 1.00 0.46 H new ATOM 0 HB2 ASP A 27 14.232 -1.336 -12.863 1.00 0.59 H new ATOM 0 HB3 ASP A 27 14.418 -0.805 -11.203 1.00 0.59 H new ATOM 388 N ILE A 28 12.288 -3.589 -9.432 1.00 0.37 N ATOM 389 CA ILE A 28 12.260 -4.017 -8.037 1.00 0.36 C ATOM 390 C ILE A 28 12.133 -5.535 -7.911 1.00 0.42 C ATOM 391 O ILE A 28 11.387 -6.165 -8.661 1.00 0.47 O ATOM 392 CB ILE A 28 11.078 -3.356 -7.276 1.00 0.41 C ATOM 393 CG1 ILE A 28 11.505 -2.026 -6.648 1.00 0.45 C ATOM 394 CG2 ILE A 28 10.523 -4.288 -6.212 1.00 0.47 C ATOM 395 CD1 ILE A 28 12.498 -2.183 -5.513 1.00 1.27 C ATOM 0 H ILE A 28 11.439 -3.807 -9.954 1.00 0.37 H new ATOM 0 HA ILE A 28 13.206 -3.702 -7.597 1.00 0.36 H new ATOM 0 HB ILE A 28 10.289 -3.157 -8.002 1.00 0.41 H new ATOM 0 HG12 ILE A 28 11.944 -1.394 -7.420 1.00 0.45 H new ATOM 0 HG13 ILE A 28 10.621 -1.508 -6.277 1.00 0.45 H new ATOM 0 HG21 ILE A 28 9.697 -3.799 -5.695 1.00 0.47 H new ATOM 0 HG22 ILE A 28 10.166 -5.205 -6.682 1.00 0.47 H new ATOM 0 HG23 ILE A 28 11.307 -4.530 -5.495 1.00 0.47 H new ATOM 0 HD11 ILE A 28 12.755 -1.201 -5.116 1.00 1.27 H new ATOM 0 HD12 ILE A 28 12.054 -2.789 -4.723 1.00 1.27 H new ATOM 0 HD13 ILE A 28 13.399 -2.672 -5.883 1.00 1.27 H new ATOM 407 N PRO A 29 12.826 -6.134 -6.923 1.00 0.49 N ATOM 408 CA PRO A 29 12.738 -7.572 -6.669 1.00 0.65 C ATOM 409 C PRO A 29 11.321 -7.923 -6.245 1.00 0.73 C ATOM 410 O PRO A 29 10.991 -7.861 -5.063 1.00 0.77 O ATOM 411 CB PRO A 29 13.730 -7.805 -5.526 1.00 0.75 C ATOM 412 CG PRO A 29 13.874 -6.477 -4.865 1.00 0.74 C ATOM 413 CD PRO A 29 13.693 -5.451 -5.948 1.00 0.51 C ATOM 0 HA PRO A 29 12.967 -8.186 -7.540 1.00 0.65 H new ATOM 0 HB2 PRO A 29 13.359 -8.555 -4.828 1.00 0.75 H new ATOM 0 HB3 PRO A 29 14.688 -8.165 -5.902 1.00 0.75 H new ATOM 0 HG2 PRO A 29 13.129 -6.350 -4.079 1.00 0.74 H new ATOM 0 HG3 PRO A 29 14.853 -6.379 -4.395 1.00 0.74 H new ATOM 0 HD2 PRO A 29 13.230 -4.541 -5.566 1.00 0.51 H new ATOM 0 HD3 PRO A 29 14.646 -5.162 -6.391 1.00 0.51 H new ATOM 421 N GLU A 30 10.495 -8.232 -7.247 1.00 0.83 N ATOM 422 CA GLU A 30 9.077 -8.546 -7.091 1.00 0.95 C ATOM 423 C GLU A 30 8.273 -7.376 -7.572 1.00 0.84 C ATOM 424 O GLU A 30 7.533 -6.774 -6.791 1.00 1.18 O ATOM 425 CB GLU A 30 8.652 -8.847 -5.649 1.00 1.17 C ATOM 426 CG GLU A 30 7.587 -9.930 -5.555 1.00 1.47 C ATOM 427 CD GLU A 30 7.672 -10.775 -4.306 1.00 2.16 C ATOM 428 OE1 GLU A 30 8.683 -10.661 -3.583 1.00 2.65 O ATOM 429 OE2 GLU A 30 6.731 -11.556 -4.058 1.00 2.84 O ATOM 0 H GLU A 30 10.806 -8.271 -8.218 1.00 0.83 H new ATOM 0 HA GLU A 30 8.899 -9.451 -7.672 1.00 0.95 H new ATOM 0 HB2 GLU A 30 9.526 -9.155 -5.075 1.00 1.17 H new ATOM 0 HB3 GLU A 30 8.275 -7.934 -5.189 1.00 1.17 H new ATOM 0 HG2 GLU A 30 6.604 -9.462 -5.597 1.00 1.47 H new ATOM 0 HG3 GLU A 30 7.668 -10.580 -6.426 1.00 1.47 H new ATOM 436 N SER A 31 8.404 -7.024 -8.839 1.00 0.60 N ATOM 437 CA SER A 31 7.650 -5.902 -9.308 1.00 0.54 C ATOM 438 C SER A 31 7.662 -5.690 -10.802 1.00 0.47 C ATOM 439 O SER A 31 8.635 -5.221 -11.393 1.00 0.59 O ATOM 440 CB SER A 31 8.144 -4.652 -8.633 1.00 0.57 C ATOM 441 OG SER A 31 9.351 -4.209 -9.217 1.00 1.37 O ATOM 0 H SER A 31 9.001 -7.483 -9.527 1.00 0.60 H new ATOM 0 HA SER A 31 6.615 -6.127 -9.052 1.00 0.54 H new ATOM 0 HB2 SER A 31 7.389 -3.869 -8.710 1.00 0.57 H new ATOM 0 HB3 SER A 31 8.298 -4.843 -7.571 1.00 0.57 H new ATOM 0 HG SER A 31 9.189 -3.952 -10.149 1.00 1.37 H new ATOM 447 N HIS A 32 6.517 -5.957 -11.369 1.00 0.38 N ATOM 448 CA HIS A 32 6.274 -5.716 -12.787 1.00 0.42 C ATOM 449 C HIS A 32 4.940 -4.986 -12.893 1.00 0.39 C ATOM 450 O HIS A 32 3.885 -5.604 -12.907 1.00 0.39 O ATOM 451 CB HIS A 32 6.244 -7.017 -13.592 1.00 0.52 C ATOM 452 CG HIS A 32 6.228 -6.803 -15.074 1.00 1.10 C ATOM 453 ND1 HIS A 32 5.240 -6.093 -15.724 1.00 1.90 N ATOM 454 CD2 HIS A 32 7.089 -7.212 -16.037 1.00 1.90 C ATOM 455 CE1 HIS A 32 5.493 -6.075 -17.020 1.00 2.46 C ATOM 456 NE2 HIS A 32 6.609 -6.746 -17.235 1.00 2.42 N ATOM 0 H HIS A 32 5.718 -6.348 -10.870 1.00 0.38 H new ATOM 0 HA HIS A 32 7.084 -5.119 -13.206 1.00 0.42 H new ATOM 0 HB2 HIS A 32 7.115 -7.618 -13.329 1.00 0.52 H new ATOM 0 HB3 HIS A 32 5.363 -7.591 -13.306 1.00 0.52 H new ATOM 0 HD2 HIS A 32 7.986 -7.796 -15.889 1.00 1.90 H new ATOM 0 HE1 HIS A 32 4.890 -5.593 -17.775 1.00 2.46 H new ATOM 0 HE2 HIS A 32 7.045 -6.894 -18.145 1.00 2.42 H new ATOM 465 N ILE A 33 4.994 -3.660 -12.908 1.00 0.42 N ATOM 466 CA ILE A 33 3.783 -2.845 -12.944 1.00 0.42 C ATOM 467 C ILE A 33 2.811 -3.240 -14.050 1.00 0.41 C ATOM 468 O ILE A 33 3.194 -3.455 -15.201 1.00 0.48 O ATOM 469 CB ILE A 33 4.120 -1.339 -13.021 1.00 0.51 C ATOM 470 CG1 ILE A 33 4.066 -0.754 -11.613 1.00 0.61 C ATOM 471 CG2 ILE A 33 3.176 -0.597 -13.960 1.00 0.79 C ATOM 472 CD1 ILE A 33 4.395 0.724 -11.548 1.00 0.70 C ATOM 0 H ILE A 33 5.862 -3.125 -12.896 1.00 0.42 H new ATOM 0 HA ILE A 33 3.269 -3.042 -12.003 1.00 0.42 H new ATOM 0 HB ILE A 33 5.123 -1.219 -13.431 1.00 0.51 H new ATOM 0 HG12 ILE A 33 3.069 -0.912 -11.203 1.00 0.61 H new ATOM 0 HG13 ILE A 33 4.763 -1.299 -10.977 1.00 0.61 H new ATOM 0 HG21 ILE A 33 3.445 0.459 -13.987 1.00 0.79 H new ATOM 0 HG22 ILE A 33 3.255 -1.018 -14.962 1.00 0.79 H new ATOM 0 HG23 ILE A 33 2.151 -0.701 -13.603 1.00 0.79 H new ATOM 0 HD11 ILE A 33 4.335 1.065 -10.514 1.00 0.70 H new ATOM 0 HD12 ILE A 33 5.404 0.889 -11.927 1.00 0.70 H new ATOM 0 HD13 ILE A 33 3.683 1.282 -12.156 1.00 0.70 H new ATOM 484 N LEU A 34 1.536 -3.324 -13.665 1.00 0.39 N ATOM 485 CA LEU A 34 0.459 -3.681 -14.579 1.00 0.40 C ATOM 486 C LEU A 34 -0.649 -2.627 -14.557 1.00 0.37 C ATOM 487 O LEU A 34 -1.066 -2.136 -15.606 1.00 0.50 O ATOM 488 CB LEU A 34 -0.119 -5.050 -14.206 1.00 0.43 C ATOM 489 CG LEU A 34 -1.230 -5.566 -15.126 1.00 0.66 C ATOM 490 CD1 LEU A 34 -0.721 -5.726 -16.550 1.00 1.42 C ATOM 491 CD2 LEU A 34 -1.781 -6.884 -14.603 1.00 1.39 C ATOM 0 H LEU A 34 1.225 -3.146 -12.710 1.00 0.39 H new ATOM 0 HA LEU A 34 0.872 -3.727 -15.587 1.00 0.40 H new ATOM 0 HB2 LEU A 34 0.692 -5.778 -14.199 1.00 0.43 H new ATOM 0 HB3 LEU A 34 -0.508 -4.997 -13.189 1.00 0.43 H new ATOM 0 HG LEU A 34 -2.036 -4.833 -15.135 1.00 0.66 H new ATOM 0 HD11 LEU A 34 -1.527 -6.093 -17.185 1.00 1.42 H new ATOM 0 HD12 LEU A 34 -0.375 -4.762 -16.923 1.00 1.42 H new ATOM 0 HD13 LEU A 34 0.105 -6.437 -16.563 1.00 1.42 H new ATOM 0 HD21 LEU A 34 -2.569 -7.238 -15.267 1.00 1.39 H new ATOM 0 HD22 LEU A 34 -0.981 -7.623 -14.564 1.00 1.39 H new ATOM 0 HD23 LEU A 34 -2.188 -6.737 -13.603 1.00 1.39 H new ATOM 503 N THR A 35 -1.130 -2.285 -13.356 1.00 0.30 N ATOM 504 CA THR A 35 -2.192 -1.292 -13.216 1.00 0.33 C ATOM 505 C THR A 35 -1.915 -0.349 -12.045 1.00 0.34 C ATOM 506 O THR A 35 -1.188 -0.697 -11.116 1.00 0.44 O ATOM 507 CB THR A 35 -3.539 -1.990 -13.021 1.00 0.39 C ATOM 508 OG1 THR A 35 -3.476 -2.903 -11.941 1.00 0.97 O ATOM 509 CG2 THR A 35 -4.002 -2.754 -14.243 1.00 0.93 C ATOM 0 H THR A 35 -0.801 -2.680 -12.475 1.00 0.30 H new ATOM 0 HA THR A 35 -2.224 -0.697 -14.129 1.00 0.33 H new ATOM 0 HB THR A 35 -4.253 -1.191 -12.823 1.00 0.39 H new ATOM 0 HG1 THR A 35 -4.371 -3.019 -11.558 1.00 0.97 H new ATOM 0 HG21 THR A 35 -4.963 -3.224 -14.035 1.00 0.93 H new ATOM 0 HG22 THR A 35 -4.108 -2.067 -15.083 1.00 0.93 H new ATOM 0 HG23 THR A 35 -3.269 -3.521 -14.492 1.00 0.93 H new ATOM 517 N VAL A 36 -2.499 0.849 -12.102 1.00 0.33 N ATOM 518 CA VAL A 36 -2.313 1.845 -11.048 1.00 0.39 C ATOM 519 C VAL A 36 -3.620 2.576 -10.736 1.00 0.36 C ATOM 520 O VAL A 36 -4.385 2.910 -11.640 1.00 0.38 O ATOM 521 CB VAL A 36 -1.244 2.885 -11.444 1.00 0.51 C ATOM 522 CG1 VAL A 36 -1.063 3.921 -10.343 1.00 1.05 C ATOM 523 CG2 VAL A 36 0.079 2.202 -11.761 1.00 1.21 C ATOM 0 H VAL A 36 -3.103 1.152 -12.866 1.00 0.33 H new ATOM 0 HA VAL A 36 -1.982 1.305 -10.161 1.00 0.39 H new ATOM 0 HB VAL A 36 -1.587 3.399 -12.342 1.00 0.51 H new ATOM 0 HG11 VAL A 36 -0.305 4.644 -10.644 1.00 1.05 H new ATOM 0 HG12 VAL A 36 -2.007 4.437 -10.170 1.00 1.05 H new ATOM 0 HG13 VAL A 36 -0.747 3.425 -9.425 1.00 1.05 H new ATOM 0 HG21 VAL A 36 0.819 2.953 -12.038 1.00 1.21 H new ATOM 0 HG22 VAL A 36 0.426 1.657 -10.884 1.00 1.21 H new ATOM 0 HG23 VAL A 36 -0.060 1.507 -12.589 1.00 1.21 H new ATOM 533 N SER A 37 -3.860 2.827 -9.451 1.00 0.35 N ATOM 534 CA SER A 37 -5.067 3.526 -9.016 1.00 0.35 C ATOM 535 C SER A 37 -4.960 5.022 -9.330 1.00 0.40 C ATOM 536 O SER A 37 -4.429 5.403 -10.372 1.00 0.72 O ATOM 537 CB SER A 37 -5.287 3.314 -7.514 1.00 0.36 C ATOM 538 OG SER A 37 -6.547 3.817 -7.104 1.00 1.35 O ATOM 0 H SER A 37 -3.234 2.557 -8.692 1.00 0.35 H new ATOM 0 HA SER A 37 -5.921 3.118 -9.557 1.00 0.35 H new ATOM 0 HB2 SER A 37 -5.224 2.251 -7.281 1.00 0.36 H new ATOM 0 HB3 SER A 37 -4.495 3.811 -6.954 1.00 0.36 H new ATOM 0 HG SER A 37 -6.957 3.194 -6.468 1.00 1.35 H new ATOM 544 N SER A 38 -5.456 5.865 -8.424 1.00 0.43 N ATOM 545 CA SER A 38 -5.398 7.310 -8.613 1.00 0.45 C ATOM 546 C SER A 38 -4.910 7.990 -7.338 1.00 0.47 C ATOM 547 O SER A 38 -4.585 7.320 -6.361 1.00 0.70 O ATOM 548 CB SER A 38 -6.769 7.857 -9.017 1.00 0.50 C ATOM 549 OG SER A 38 -7.750 7.553 -8.040 1.00 1.19 O ATOM 0 H SER A 38 -5.901 5.571 -7.555 1.00 0.43 H new ATOM 0 HA SER A 38 -4.693 7.525 -9.416 1.00 0.45 H new ATOM 0 HB2 SER A 38 -6.708 8.937 -9.151 1.00 0.50 H new ATOM 0 HB3 SER A 38 -7.064 7.433 -9.977 1.00 0.50 H new ATOM 0 HG SER A 38 -7.311 7.231 -7.225 1.00 1.19 H new ATOM 555 N PHE A 39 -4.857 9.319 -7.348 1.00 0.38 N ATOM 556 CA PHE A 39 -4.399 10.065 -6.182 1.00 0.43 C ATOM 557 C PHE A 39 -5.548 10.359 -5.224 1.00 0.40 C ATOM 558 O PHE A 39 -6.675 10.616 -5.647 1.00 0.65 O ATOM 559 CB PHE A 39 -3.700 11.357 -6.614 1.00 0.59 C ATOM 560 CG PHE A 39 -4.399 12.107 -7.717 1.00 1.42 C ATOM 561 CD1 PHE A 39 -5.673 12.622 -7.537 1.00 1.93 C ATOM 562 CD2 PHE A 39 -3.768 12.301 -8.935 1.00 2.21 C ATOM 563 CE1 PHE A 39 -6.305 13.316 -8.553 1.00 2.75 C ATOM 564 CE2 PHE A 39 -4.395 12.993 -9.954 1.00 3.01 C ATOM 565 CZ PHE A 39 -5.664 13.501 -9.762 1.00 3.17 C ATOM 0 H PHE A 39 -5.124 9.897 -8.145 1.00 0.38 H new ATOM 0 HA PHE A 39 -3.678 9.446 -5.647 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -3.608 12.012 -5.748 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -2.688 11.116 -6.940 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -6.178 12.480 -6.593 1.00 1.93 H new ATOM 0 HD2 PHE A 39 -2.775 11.907 -9.090 1.00 2.21 H new ATOM 0 HE1 PHE A 39 -7.298 13.712 -8.401 1.00 2.75 H new ATOM 0 HE2 PHE A 39 -3.893 13.136 -10.899 1.00 3.01 H new ATOM 0 HZ PHE A 39 -6.155 14.043 -10.557 1.00 3.17 H new ATOM 575 N TYR A 40 -5.256 10.304 -3.927 1.00 0.38 N ATOM 576 CA TYR A 40 -6.270 10.553 -2.909 1.00 0.37 C ATOM 577 C TYR A 40 -5.722 11.393 -1.757 1.00 0.40 C ATOM 578 O TYR A 40 -4.718 11.045 -1.139 1.00 0.53 O ATOM 579 CB TYR A 40 -6.814 9.228 -2.364 1.00 0.44 C ATOM 580 CG TYR A 40 -7.466 8.351 -3.409 1.00 0.49 C ATOM 581 CD1 TYR A 40 -6.709 7.472 -4.170 1.00 0.49 C ATOM 582 CD2 TYR A 40 -8.836 8.409 -3.647 1.00 0.59 C ATOM 583 CE1 TYR A 40 -7.294 6.673 -5.133 1.00 0.57 C ATOM 584 CE2 TYR A 40 -9.428 7.613 -4.608 1.00 0.67 C ATOM 585 CZ TYR A 40 -8.680 6.730 -5.316 1.00 0.66 C ATOM 586 OH TYR A 40 -9.238 5.954 -6.307 1.00 0.76 O ATOM 0 H TYR A 40 -4.329 10.090 -3.558 1.00 0.38 H new ATOM 0 HA TYR A 40 -7.076 11.113 -3.384 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -5.997 8.676 -1.900 1.00 0.44 H new ATOM 0 HB3 TYR A 40 -7.540 9.441 -1.580 1.00 0.44 H new ATOM 0 HD1 TYR A 40 -5.643 7.411 -4.007 1.00 0.49 H new ATOM 0 HD2 TYR A 40 -9.447 9.088 -3.070 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -6.689 6.013 -5.737 1.00 0.57 H new ATOM 0 HE2 TYR A 40 -10.488 7.694 -4.796 1.00 0.67 H new ATOM 0 HH TYR A 40 -8.936 6.274 -7.182 1.00 0.76 H new ATOM 596 N ARG A 41 -6.415 12.485 -1.460 1.00 0.43 N ATOM 597 CA ARG A 41 -6.033 13.372 -0.367 1.00 0.50 C ATOM 598 C ARG A 41 -6.913 13.077 0.836 1.00 0.54 C ATOM 599 O ARG A 41 -8.107 13.380 0.828 1.00 0.67 O ATOM 600 CB ARG A 41 -6.193 14.831 -0.785 1.00 0.66 C ATOM 601 CG ARG A 41 -5.557 15.813 0.179 1.00 0.69 C ATOM 602 CD ARG A 41 -5.890 17.244 -0.206 1.00 0.94 C ATOM 603 NE ARG A 41 -5.309 18.216 0.715 1.00 1.56 N ATOM 604 CZ ARG A 41 -5.447 19.532 0.583 1.00 2.07 C ATOM 605 NH1 ARG A 41 -6.150 20.031 -0.427 1.00 2.32 N ATOM 606 NH2 ARG A 41 -4.889 20.350 1.463 1.00 2.95 N ATOM 0 H ARG A 41 -7.251 12.780 -1.965 1.00 0.43 H new ATOM 0 HA ARG A 41 -4.987 13.202 -0.111 1.00 0.50 H new ATOM 0 HB2 ARG A 41 -5.752 14.967 -1.773 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -7.255 15.060 -0.875 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -5.908 15.614 1.192 1.00 0.69 H new ATOM 0 HG3 ARG A 41 -4.476 15.676 0.184 1.00 0.69 H new ATOM 0 HD2 ARG A 41 -5.526 17.440 -1.215 1.00 0.94 H new ATOM 0 HD3 ARG A 41 -6.973 17.369 -0.227 1.00 0.94 H new ATOM 0 HE ARG A 41 -4.766 17.866 1.505 1.00 1.56 H new ATOM 0 HH11 ARG A 41 -6.586 19.404 -1.104 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -6.254 21.041 -0.526 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -4.353 19.971 2.243 1.00 2.95 H new ATOM 0 HH22 ARG A 41 -4.996 21.359 1.360 1.00 2.95 H new ATOM 620 N THR A 42 -6.342 12.443 1.853 1.00 0.61 N ATOM 621 CA THR A 42 -7.114 12.067 3.029 1.00 0.73 C ATOM 622 C THR A 42 -6.314 12.251 4.321 1.00 0.84 C ATOM 623 O THR A 42 -5.123 12.553 4.279 1.00 1.10 O ATOM 624 CB THR A 42 -7.559 10.612 2.872 1.00 0.81 C ATOM 625 OG1 THR A 42 -6.500 9.723 3.175 1.00 1.30 O ATOM 626 CG2 THR A 42 -8.019 10.297 1.470 1.00 1.28 C ATOM 0 H THR A 42 -5.357 12.181 1.887 1.00 0.61 H new ATOM 0 HA THR A 42 -7.983 12.720 3.105 1.00 0.73 H new ATOM 0 HB THR A 42 -8.390 10.483 3.565 1.00 0.81 H new ATOM 0 HG1 THR A 42 -6.196 9.284 2.353 1.00 1.30 H new ATOM 0 HG21 THR A 42 -8.324 9.252 1.413 1.00 1.28 H new ATOM 0 HG22 THR A 42 -8.864 10.936 1.212 1.00 1.28 H new ATOM 0 HG23 THR A 42 -7.202 10.475 0.770 1.00 1.28 H new ATOM 634 N PRO A 43 -6.965 12.079 5.496 1.00 0.74 N ATOM 635 CA PRO A 43 -6.296 12.238 6.792 1.00 0.86 C ATOM 636 C PRO A 43 -5.320 11.102 7.092 1.00 0.90 C ATOM 637 O PRO A 43 -5.727 9.953 7.273 1.00 0.94 O ATOM 638 CB PRO A 43 -7.452 12.227 7.794 1.00 0.98 C ATOM 639 CG PRO A 43 -8.523 11.438 7.127 1.00 0.87 C ATOM 640 CD PRO A 43 -8.393 11.724 5.655 1.00 0.71 C ATOM 0 HA PRO A 43 -5.692 13.145 6.826 1.00 0.86 H new ATOM 0 HB2 PRO A 43 -7.154 11.771 8.738 1.00 0.98 H new ATOM 0 HB3 PRO A 43 -7.789 13.239 8.021 1.00 0.98 H new ATOM 0 HG2 PRO A 43 -8.407 10.373 7.329 1.00 0.87 H new ATOM 0 HG3 PRO A 43 -9.507 11.727 7.495 1.00 0.87 H new ATOM 0 HD2 PRO A 43 -8.660 10.856 5.052 1.00 0.71 H new ATOM 0 HD3 PRO A 43 -9.046 12.540 5.346 1.00 0.71 H new ATOM 648 N PRO A 44 -4.010 11.412 7.146 1.00 0.98 N ATOM 649 CA PRO A 44 -2.963 10.418 7.425 1.00 1.12 C ATOM 650 C PRO A 44 -3.226 9.622 8.699 1.00 1.19 C ATOM 651 O PRO A 44 -4.157 9.920 9.448 1.00 2.06 O ATOM 652 CB PRO A 44 -1.705 11.270 7.575 1.00 1.28 C ATOM 653 CG PRO A 44 -1.979 12.485 6.766 1.00 1.18 C ATOM 654 CD PRO A 44 -3.444 12.757 6.933 1.00 1.03 C ATOM 0 HA PRO A 44 -2.899 9.666 6.639 1.00 1.12 H new ATOM 0 HB2 PRO A 44 -1.519 11.522 8.619 1.00 1.28 H new ATOM 0 HB3 PRO A 44 -0.823 10.742 7.212 1.00 1.28 H new ATOM 0 HG2 PRO A 44 -1.382 13.329 7.111 1.00 1.18 H new ATOM 0 HG3 PRO A 44 -1.727 12.323 5.718 1.00 1.18 H new ATOM 0 HD2 PRO A 44 -3.638 13.415 7.780 1.00 1.03 H new ATOM 0 HD3 PRO A 44 -3.868 13.238 6.052 1.00 1.03 H new ATOM 662 N LEU A 45 -2.401 8.604 8.937 1.00 0.99 N ATOM 663 CA LEU A 45 -2.555 7.762 10.117 1.00 1.03 C ATOM 664 C LEU A 45 -1.206 7.432 10.745 1.00 1.08 C ATOM 665 O LEU A 45 -0.292 6.962 10.070 1.00 1.32 O ATOM 666 CB LEU A 45 -3.287 6.469 9.751 1.00 1.15 C ATOM 667 CG LEU A 45 -3.588 5.531 10.924 1.00 1.53 C ATOM 668 CD1 LEU A 45 -4.635 6.140 11.842 1.00 1.83 C ATOM 669 CD2 LEU A 45 -4.045 4.172 10.416 1.00 2.21 C ATOM 0 H LEU A 45 -1.623 8.345 8.330 1.00 0.99 H new ATOM 0 HA LEU A 45 -3.143 8.317 10.848 1.00 1.03 H new ATOM 0 HB2 LEU A 45 -4.227 6.729 9.265 1.00 1.15 H new ATOM 0 HB3 LEU A 45 -2.688 5.927 9.019 1.00 1.15 H new ATOM 0 HG LEU A 45 -2.671 5.393 11.497 1.00 1.53 H new ATOM 0 HD11 LEU A 45 -4.835 5.458 12.669 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -4.268 7.088 12.234 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -5.555 6.311 11.282 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -4.254 3.519 11.263 1.00 2.21 H new ATOM 0 HD22 LEU A 45 -4.949 4.292 9.818 1.00 2.21 H new ATOM 0 HD23 LEU A 45 -3.260 3.730 9.802 1.00 2.21 H new ATOM 681 N GLY A 46 -1.100 7.684 12.045 1.00 1.09 N ATOM 682 CA GLY A 46 0.131 7.415 12.759 1.00 1.18 C ATOM 683 C GLY A 46 0.819 8.690 13.199 1.00 1.11 C ATOM 684 O GLY A 46 0.164 9.706 13.419 1.00 1.19 O ATOM 0 H GLY A 46 -1.849 8.072 12.618 1.00 1.09 H new ATOM 0 HA2 GLY A 46 -0.083 6.798 13.632 1.00 1.18 H new ATOM 0 HA3 GLY A 46 0.803 6.842 12.121 1.00 1.18 H new ATOM 688 N PRO A 47 2.142 8.657 13.399 1.00 1.12 N ATOM 689 CA PRO A 47 2.914 9.789 13.861 1.00 1.16 C ATOM 690 C PRO A 47 3.850 10.388 12.799 1.00 1.14 C ATOM 691 O PRO A 47 4.827 9.753 12.397 1.00 1.99 O ATOM 692 CB PRO A 47 3.745 9.116 14.937 1.00 1.36 C ATOM 693 CG PRO A 47 3.978 7.715 14.427 1.00 1.39 C ATOM 694 CD PRO A 47 3.011 7.492 13.281 1.00 1.26 C ATOM 0 HA PRO A 47 2.289 10.629 14.163 1.00 1.16 H new ATOM 0 HB2 PRO A 47 4.687 9.641 15.095 1.00 1.36 H new ATOM 0 HB3 PRO A 47 3.221 9.107 15.893 1.00 1.36 H new ATOM 0 HG2 PRO A 47 5.008 7.593 14.091 1.00 1.39 H new ATOM 0 HG3 PRO A 47 3.812 6.984 15.219 1.00 1.39 H new ATOM 0 HD2 PRO A 47 3.519 7.456 12.317 1.00 1.26 H new ATOM 0 HD3 PRO A 47 2.460 6.557 13.386 1.00 1.26 H new ATOM 702 N GLN A 48 3.575 11.624 12.385 1.00 0.95 N ATOM 703 CA GLN A 48 4.421 12.321 11.416 1.00 0.84 C ATOM 704 C GLN A 48 3.935 13.756 11.197 1.00 0.90 C ATOM 705 O GLN A 48 4.743 14.675 11.070 1.00 1.04 O ATOM 706 CB GLN A 48 4.520 11.552 10.082 1.00 0.83 C ATOM 707 CG GLN A 48 3.922 12.267 8.873 1.00 1.00 C ATOM 708 CD GLN A 48 2.399 12.294 8.827 1.00 1.29 C ATOM 709 OE1 GLN A 48 1.824 12.918 7.935 1.00 2.23 O ATOM 710 NE2 GLN A 48 1.727 11.621 9.755 1.00 1.15 N ATOM 0 H GLN A 48 2.772 12.165 12.706 1.00 0.95 H new ATOM 0 HA GLN A 48 5.427 12.366 11.834 1.00 0.84 H new ATOM 0 HB2 GLN A 48 5.570 11.344 9.878 1.00 0.83 H new ATOM 0 HB3 GLN A 48 4.021 10.590 10.198 1.00 0.83 H new ATOM 0 HG2 GLN A 48 4.289 13.293 8.859 1.00 1.00 H new ATOM 0 HG3 GLN A 48 4.289 11.785 7.967 1.00 1.00 H new ATOM 0 HE21 GLN A 48 2.231 11.113 10.482 1.00 1.15 H new ATOM 0 HE22 GLN A 48 0.707 11.612 9.740 1.00 1.15 H new ATOM 719 N ASP A 49 2.614 13.935 11.169 1.00 0.99 N ATOM 720 CA ASP A 49 2.005 15.255 10.984 1.00 1.16 C ATOM 721 C ASP A 49 0.501 15.111 10.798 1.00 1.20 C ATOM 722 O ASP A 49 -0.286 15.907 11.306 1.00 1.33 O ATOM 723 CB ASP A 49 2.607 15.972 9.770 1.00 1.28 C ATOM 724 CG ASP A 49 2.120 17.403 9.639 1.00 1.51 C ATOM 725 OD1 ASP A 49 0.893 17.603 9.517 1.00 1.70 O ATOM 726 OD2 ASP A 49 2.964 18.324 9.660 1.00 1.81 O ATOM 0 H ASP A 49 1.940 13.177 11.273 1.00 0.99 H new ATOM 0 HA ASP A 49 2.208 15.851 11.874 1.00 1.16 H new ATOM 0 HB2 ASP A 49 3.694 15.968 9.852 1.00 1.28 H new ATOM 0 HB3 ASP A 49 2.353 15.421 8.864 1.00 1.28 H new ATOM 731 N GLN A 50 0.128 14.075 10.064 1.00 1.19 N ATOM 732 CA GLN A 50 -1.270 13.771 9.783 1.00 1.31 C ATOM 733 C GLN A 50 -1.990 14.941 9.101 1.00 1.33 C ATOM 734 O GLN A 50 -3.088 15.317 9.512 1.00 1.40 O ATOM 735 CB GLN A 50 -2.001 13.416 11.071 1.00 1.42 C ATOM 736 CG GLN A 50 -1.235 12.470 11.979 1.00 1.67 C ATOM 737 CD GLN A 50 -1.218 11.041 11.476 1.00 1.43 C ATOM 738 OE1 GLN A 50 -2.261 10.403 11.345 1.00 2.03 O ATOM 739 NE2 GLN A 50 -0.023 10.533 11.194 1.00 1.24 N ATOM 0 H GLN A 50 0.786 13.418 9.644 1.00 1.19 H new ATOM 0 HA GLN A 50 -1.281 12.922 9.100 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -2.216 14.334 11.619 1.00 1.42 H new ATOM 0 HB3 GLN A 50 -2.960 12.963 10.819 1.00 1.42 H new ATOM 0 HG2 GLN A 50 -0.209 12.825 12.080 1.00 1.67 H new ATOM 0 HG3 GLN A 50 -1.679 12.493 12.974 1.00 1.67 H new ATOM 0 HE21 GLN A 50 0.815 11.101 11.319 1.00 1.24 H new ATOM 0 HE22 GLN A 50 0.056 9.575 10.853 1.00 1.24 H new ATOM 748 N PRO A 51 -1.397 15.532 8.045 1.00 1.35 N ATOM 749 CA PRO A 51 -2.004 16.642 7.326 1.00 1.46 C ATOM 750 C PRO A 51 -2.901 16.168 6.182 1.00 1.54 C ATOM 751 O PRO A 51 -4.126 16.161 6.306 1.00 2.26 O ATOM 752 CB PRO A 51 -0.794 17.409 6.790 1.00 1.52 C ATOM 753 CG PRO A 51 0.352 16.436 6.777 1.00 1.53 C ATOM 754 CD PRO A 51 -0.101 15.172 7.461 1.00 1.37 C ATOM 0 HA PRO A 51 -2.656 17.242 7.961 1.00 1.46 H new ATOM 0 HB2 PRO A 51 -0.989 17.793 5.789 1.00 1.52 H new ATOM 0 HB3 PRO A 51 -0.567 18.268 7.422 1.00 1.52 H new ATOM 0 HG2 PRO A 51 0.661 16.225 5.753 1.00 1.53 H new ATOM 0 HG3 PRO A 51 1.216 16.858 7.290 1.00 1.53 H new ATOM 0 HD2 PRO A 51 -0.196 14.348 6.754 1.00 1.37 H new ATOM 0 HD3 PRO A 51 0.608 14.856 8.226 1.00 1.37 H new ATOM 762 N ASP A 52 -2.282 15.773 5.072 1.00 1.24 N ATOM 763 CA ASP A 52 -3.016 15.295 3.905 1.00 1.23 C ATOM 764 C ASP A 52 -2.065 14.649 2.902 1.00 0.91 C ATOM 765 O ASP A 52 -1.601 15.295 1.962 1.00 1.55 O ATOM 766 CB ASP A 52 -3.776 16.452 3.249 1.00 1.67 C ATOM 767 CG ASP A 52 -2.878 17.630 2.932 1.00 2.16 C ATOM 768 OD1 ASP A 52 -2.292 18.203 3.875 1.00 2.69 O ATOM 769 OD2 ASP A 52 -2.757 17.984 1.740 1.00 2.56 O ATOM 0 H ASP A 52 -1.269 15.775 4.957 1.00 1.24 H new ATOM 0 HA ASP A 52 -3.735 14.543 4.231 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -4.245 16.100 2.331 1.00 1.67 H new ATOM 0 HB3 ASP A 52 -4.577 16.778 3.912 1.00 1.67 H new ATOM 774 N TYR A 53 -1.768 13.369 3.117 1.00 0.76 N ATOM 775 CA TYR A 53 -0.860 12.637 2.241 1.00 1.08 C ATOM 776 C TYR A 53 -1.526 12.235 0.935 1.00 0.87 C ATOM 777 O TYR A 53 -2.741 12.353 0.775 1.00 0.98 O ATOM 778 CB TYR A 53 -0.302 11.386 2.937 1.00 1.83 C ATOM 779 CG TYR A 53 -1.343 10.430 3.499 1.00 2.62 C ATOM 780 CD1 TYR A 53 -2.708 10.640 3.327 1.00 3.26 C ATOM 781 CD2 TYR A 53 -0.945 9.298 4.201 1.00 3.32 C ATOM 782 CE1 TYR A 53 -3.637 9.757 3.838 1.00 4.34 C ATOM 783 CE2 TYR A 53 -1.870 8.409 4.715 1.00 4.46 C ATOM 784 CZ TYR A 53 -3.215 8.643 4.531 1.00 4.90 C ATOM 785 OH TYR A 53 -4.141 7.761 5.040 1.00 6.13 O ATOM 0 H TYR A 53 -2.143 12.819 3.890 1.00 0.76 H new ATOM 0 HA TYR A 53 -0.039 13.316 2.012 1.00 1.08 H new ATOM 0 HB2 TYR A 53 0.319 10.842 2.225 1.00 1.83 H new ATOM 0 HB3 TYR A 53 0.350 11.704 3.750 1.00 1.83 H new ATOM 0 HD1 TYR A 53 -3.046 11.510 2.784 1.00 3.26 H new ATOM 0 HD2 TYR A 53 0.108 9.109 4.348 1.00 3.32 H new ATOM 0 HE1 TYR A 53 -4.692 9.938 3.695 1.00 4.34 H new ATOM 0 HE2 TYR A 53 -1.540 7.536 5.258 1.00 4.46 H new ATOM 0 HH TYR A 53 -3.678 7.030 5.499 1.00 6.13 H new ATOM 795 N LEU A 54 -0.710 11.749 0.007 1.00 0.72 N ATOM 796 CA LEU A 54 -1.200 11.310 -1.288 1.00 0.59 C ATOM 797 C LEU A 54 -1.307 9.787 -1.308 1.00 0.61 C ATOM 798 O LEU A 54 -0.305 9.084 -1.168 1.00 0.88 O ATOM 799 CB LEU A 54 -0.268 11.800 -2.398 1.00 0.60 C ATOM 800 CG LEU A 54 -0.809 11.628 -3.812 1.00 0.54 C ATOM 801 CD1 LEU A 54 -2.042 12.495 -4.010 1.00 0.92 C ATOM 802 CD2 LEU A 54 0.258 11.973 -4.840 1.00 1.10 C ATOM 0 H LEU A 54 0.298 11.650 0.131 1.00 0.72 H new ATOM 0 HA LEU A 54 -2.189 11.733 -1.461 1.00 0.59 H new ATOM 0 HB2 LEU A 54 -0.053 12.856 -2.233 1.00 0.60 H new ATOM 0 HB3 LEU A 54 0.679 11.266 -2.319 1.00 0.60 H new ATOM 0 HG LEU A 54 -1.090 10.584 -3.952 1.00 0.54 H new ATOM 0 HD11 LEU A 54 -2.420 12.364 -5.024 1.00 0.92 H new ATOM 0 HD12 LEU A 54 -2.811 12.202 -3.295 1.00 0.92 H new ATOM 0 HD13 LEU A 54 -1.780 13.541 -3.853 1.00 0.92 H new ATOM 0 HD21 LEU A 54 -0.148 11.844 -5.843 1.00 1.10 H new ATOM 0 HD22 LEU A 54 0.571 13.008 -4.706 1.00 1.10 H new ATOM 0 HD23 LEU A 54 1.116 11.314 -4.708 1.00 1.10 H new ATOM 814 N ASN A 55 -2.528 9.284 -1.459 1.00 0.50 N ATOM 815 CA ASN A 55 -2.770 7.846 -1.466 1.00 0.58 C ATOM 816 C ASN A 55 -3.029 7.325 -2.871 1.00 0.57 C ATOM 817 O ASN A 55 -3.625 8.013 -3.702 1.00 0.70 O ATOM 818 CB ASN A 55 -3.963 7.515 -0.566 1.00 0.82 C ATOM 819 CG ASN A 55 -3.742 7.931 0.878 1.00 1.80 C ATOM 820 OD1 ASN A 55 -4.662 7.872 1.695 1.00 2.63 O ATOM 821 ND2 ASN A 55 -2.519 8.337 1.206 1.00 2.49 N ATOM 0 H ASN A 55 -3.367 9.852 -1.578 1.00 0.50 H new ATOM 0 HA ASN A 55 -1.873 7.357 -1.087 1.00 0.58 H new ATOM 0 HB2 ASN A 55 -4.853 8.013 -0.951 1.00 0.82 H new ATOM 0 HB3 ASN A 55 -4.156 6.443 -0.605 1.00 0.82 H new ATOM 0 HD21 ASN A 55 -2.314 8.615 2.166 1.00 2.49 H new ATOM 0 HD22 ASN A 55 -1.786 8.371 0.498 1.00 2.49 H new ATOM 828 N ALA A 56 -2.576 6.100 -3.127 1.00 0.51 N ATOM 829 CA ALA A 56 -2.754 5.471 -4.429 1.00 0.57 C ATOM 830 C ALA A 56 -2.210 4.047 -4.434 1.00 0.54 C ATOM 831 O ALA A 56 -1.001 3.845 -4.555 1.00 0.75 O ATOM 832 CB ALA A 56 -2.059 6.288 -5.508 1.00 0.61 C ATOM 0 H ALA A 56 -2.082 5.523 -2.446 1.00 0.51 H new ATOM 0 HA ALA A 56 -3.823 5.431 -4.636 1.00 0.57 H new ATOM 0 HB1 ALA A 56 -2.200 5.807 -6.476 1.00 0.61 H new ATOM 0 HB2 ALA A 56 -2.485 7.291 -5.536 1.00 0.61 H new ATOM 0 HB3 ALA A 56 -0.994 6.352 -5.286 1.00 0.61 H new ATOM 838 N ALA A 57 -3.097 3.058 -4.322 1.00 0.31 N ATOM 839 CA ALA A 57 -2.665 1.672 -4.343 1.00 0.29 C ATOM 840 C ALA A 57 -2.190 1.301 -5.743 1.00 0.29 C ATOM 841 O ALA A 57 -2.320 2.097 -6.672 1.00 0.39 O ATOM 842 CB ALA A 57 -3.794 0.763 -3.894 1.00 0.33 C ATOM 0 H ALA A 57 -4.103 3.193 -4.218 1.00 0.31 H new ATOM 0 HA ALA A 57 -1.833 1.544 -3.650 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -3.457 -0.273 -3.914 1.00 0.33 H new ATOM 0 HB2 ALA A 57 -4.093 1.028 -2.880 1.00 0.33 H new ATOM 0 HB3 ALA A 57 -4.645 0.881 -4.565 1.00 0.33 H new ATOM 848 N VAL A 58 -1.638 0.101 -5.903 1.00 0.26 N ATOM 849 CA VAL A 58 -1.156 -0.328 -7.214 1.00 0.27 C ATOM 850 C VAL A 58 -1.051 -1.847 -7.319 1.00 0.27 C ATOM 851 O VAL A 58 -0.396 -2.488 -6.496 1.00 0.28 O ATOM 852 CB VAL A 58 0.216 0.306 -7.526 1.00 0.31 C ATOM 853 CG1 VAL A 58 1.209 0.017 -6.412 1.00 1.20 C ATOM 854 CG2 VAL A 58 0.749 -0.191 -8.863 1.00 0.98 C ATOM 0 H VAL A 58 -1.514 -0.582 -5.155 1.00 0.26 H new ATOM 0 HA VAL A 58 -1.889 0.012 -7.945 1.00 0.27 H new ATOM 0 HB VAL A 58 0.083 1.386 -7.592 1.00 0.31 H new ATOM 0 HG11 VAL A 58 2.169 0.473 -6.653 1.00 1.20 H new ATOM 0 HG12 VAL A 58 0.836 0.431 -5.475 1.00 1.20 H new ATOM 0 HG13 VAL A 58 1.335 -1.061 -6.308 1.00 1.20 H new ATOM 0 HG21 VAL A 58 1.717 0.269 -9.062 1.00 0.98 H new ATOM 0 HG22 VAL A 58 0.862 -1.275 -8.829 1.00 0.98 H new ATOM 0 HG23 VAL A 58 0.050 0.076 -9.655 1.00 0.98 H new ATOM 864 N ALA A 59 -1.683 -2.423 -8.346 1.00 0.28 N ATOM 865 CA ALA A 59 -1.630 -3.861 -8.544 1.00 0.29 C ATOM 866 C ALA A 59 -0.290 -4.256 -9.147 1.00 0.31 C ATOM 867 O ALA A 59 -0.133 -4.307 -10.368 1.00 0.50 O ATOM 868 CB ALA A 59 -2.764 -4.321 -9.446 1.00 0.31 C ATOM 0 H ALA A 59 -2.230 -1.916 -9.042 1.00 0.28 H new ATOM 0 HA ALA A 59 -1.742 -4.347 -7.575 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -2.706 -5.401 -9.581 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -3.720 -4.063 -8.989 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -2.681 -3.829 -10.415 1.00 0.31 H new ATOM 874 N LEU A 60 0.677 -4.522 -8.278 1.00 0.28 N ATOM 875 CA LEU A 60 2.013 -4.899 -8.715 1.00 0.28 C ATOM 876 C LEU A 60 2.037 -6.297 -9.292 1.00 0.30 C ATOM 877 O LEU A 60 1.991 -7.279 -8.554 1.00 0.33 O ATOM 878 CB LEU A 60 3.001 -4.833 -7.543 1.00 0.29 C ATOM 879 CG LEU A 60 4.464 -5.161 -7.889 1.00 0.29 C ATOM 880 CD1 LEU A 60 4.874 -4.407 -9.145 1.00 0.35 C ATOM 881 CD2 LEU A 60 5.364 -4.773 -6.725 1.00 0.31 C ATOM 0 H LEU A 60 0.560 -4.483 -7.266 1.00 0.28 H new ATOM 0 HA LEU A 60 2.306 -4.192 -9.491 1.00 0.28 H new ATOM 0 HB2 LEU A 60 2.963 -3.831 -7.115 1.00 0.29 H new ATOM 0 HB3 LEU A 60 2.666 -5.523 -6.769 1.00 0.29 H new ATOM 0 HG LEU A 60 4.564 -6.231 -8.071 1.00 0.29 H new ATOM 0 HD11 LEU A 60 5.911 -4.641 -9.388 1.00 0.35 H new ATOM 0 HD12 LEU A 60 4.231 -4.704 -9.974 1.00 0.35 H new ATOM 0 HD13 LEU A 60 4.774 -3.335 -8.975 1.00 0.35 H new ATOM 0 HD21 LEU A 60 6.400 -5.006 -6.972 1.00 0.31 H new ATOM 0 HD22 LEU A 60 5.269 -3.704 -6.532 1.00 0.31 H new ATOM 0 HD23 LEU A 60 5.069 -5.330 -5.836 1.00 0.31 H new ATOM 893 N GLU A 61 2.168 -6.400 -10.607 1.00 0.32 N ATOM 894 CA GLU A 61 2.261 -7.709 -11.209 1.00 0.36 C ATOM 895 C GLU A 61 3.651 -8.204 -10.889 1.00 0.34 C ATOM 896 O GLU A 61 4.604 -7.939 -11.608 1.00 0.36 O ATOM 897 CB GLU A 61 2.047 -7.629 -12.718 1.00 0.43 C ATOM 898 CG GLU A 61 1.845 -8.982 -13.369 1.00 0.52 C ATOM 899 CD GLU A 61 1.444 -8.879 -14.826 1.00 1.37 C ATOM 900 OE1 GLU A 61 2.226 -8.315 -15.620 1.00 1.88 O ATOM 901 OE2 GLU A 61 0.346 -9.363 -15.174 1.00 2.11 O ATOM 0 H GLU A 61 2.211 -5.614 -11.256 1.00 0.32 H new ATOM 0 HA GLU A 61 1.496 -8.383 -10.825 1.00 0.36 H new ATOM 0 HB2 GLU A 61 1.179 -7.003 -12.922 1.00 0.43 H new ATOM 0 HB3 GLU A 61 2.907 -7.139 -13.174 1.00 0.43 H new ATOM 0 HG2 GLU A 61 2.766 -9.559 -13.291 1.00 0.52 H new ATOM 0 HG3 GLU A 61 1.078 -9.531 -12.824 1.00 0.52 H new ATOM 908 N THR A 62 3.768 -8.846 -9.748 1.00 0.34 N ATOM 909 CA THR A 62 5.051 -9.288 -9.256 1.00 0.35 C ATOM 910 C THR A 62 5.462 -10.669 -9.715 1.00 0.39 C ATOM 911 O THR A 62 4.775 -11.326 -10.500 1.00 0.61 O ATOM 912 CB THR A 62 5.063 -9.201 -7.755 1.00 0.40 C ATOM 913 OG1 THR A 62 6.354 -8.949 -7.349 1.00 0.43 O ATOM 914 CG2 THR A 62 4.586 -10.450 -7.042 1.00 0.52 C ATOM 0 H THR A 62 2.982 -9.075 -9.140 1.00 0.34 H new ATOM 0 HA THR A 62 5.794 -8.618 -9.688 1.00 0.35 H new ATOM 0 HB THR A 62 4.365 -8.407 -7.491 1.00 0.40 H new ATOM 0 HG1 THR A 62 6.397 -8.068 -6.922 1.00 0.43 H new ATOM 0 HG21 THR A 62 4.630 -10.293 -5.964 1.00 0.52 H new ATOM 0 HG22 THR A 62 3.559 -10.667 -7.335 1.00 0.52 H new ATOM 0 HG23 THR A 62 5.226 -11.290 -7.313 1.00 0.52 H new ATOM 922 N SER A 63 6.630 -11.071 -9.230 1.00 0.37 N ATOM 923 CA SER A 63 7.217 -12.346 -9.587 1.00 0.48 C ATOM 924 C SER A 63 8.118 -12.874 -8.495 1.00 0.42 C ATOM 925 O SER A 63 8.326 -14.082 -8.380 1.00 0.45 O ATOM 926 CB SER A 63 8.059 -12.150 -10.829 1.00 0.69 C ATOM 927 OG SER A 63 7.257 -11.880 -11.966 1.00 1.22 O ATOM 0 H SER A 63 7.192 -10.521 -8.580 1.00 0.37 H new ATOM 0 HA SER A 63 6.409 -13.060 -9.747 1.00 0.48 H new ATOM 0 HB2 SER A 63 8.756 -11.327 -10.671 1.00 0.69 H new ATOM 0 HB3 SER A 63 8.657 -13.044 -11.009 1.00 0.69 H new ATOM 0 HG SER A 63 7.832 -11.757 -12.750 1.00 1.22 H new ATOM 933 N LEU A 64 8.664 -11.970 -7.702 1.00 0.37 N ATOM 934 CA LEU A 64 9.570 -12.392 -6.619 1.00 0.35 C ATOM 935 C LEU A 64 8.761 -13.173 -5.566 1.00 0.50 C ATOM 936 O LEU A 64 7.563 -13.395 -5.739 1.00 0.82 O ATOM 937 CB LEU A 64 10.210 -11.149 -6.015 1.00 0.49 C ATOM 938 CG LEU A 64 11.665 -11.156 -5.518 1.00 0.48 C ATOM 939 CD1 LEU A 64 11.995 -12.345 -4.635 1.00 0.90 C ATOM 940 CD2 LEU A 64 12.631 -11.072 -6.690 1.00 0.84 C ATOM 0 H LEU A 64 8.510 -10.964 -7.773 1.00 0.37 H new ATOM 0 HA LEU A 64 10.358 -13.044 -6.997 1.00 0.35 H new ATOM 0 HB2 LEU A 64 10.134 -10.359 -6.762 1.00 0.49 H new ATOM 0 HB3 LEU A 64 9.588 -10.851 -5.171 1.00 0.49 H new ATOM 0 HG LEU A 64 11.780 -10.271 -4.892 1.00 0.48 H new ATOM 0 HD11 LEU A 64 13.037 -12.286 -4.320 1.00 0.90 H new ATOM 0 HD12 LEU A 64 11.350 -12.336 -3.757 1.00 0.90 H new ATOM 0 HD13 LEU A 64 11.836 -13.268 -5.193 1.00 0.90 H new ATOM 0 HD21 LEU A 64 13.656 -11.078 -6.318 1.00 0.84 H new ATOM 0 HD22 LEU A 64 12.479 -11.927 -7.349 1.00 0.84 H new ATOM 0 HD23 LEU A 64 12.452 -10.151 -7.244 1.00 0.84 H new ATOM 952 N ALA A 65 9.414 -13.577 -4.486 1.00 0.58 N ATOM 953 CA ALA A 65 8.771 -14.320 -3.409 1.00 0.89 C ATOM 954 C ALA A 65 7.941 -13.391 -2.530 1.00 0.60 C ATOM 955 O ALA A 65 8.438 -12.386 -2.031 1.00 0.59 O ATOM 956 CB ALA A 65 9.816 -15.046 -2.573 1.00 1.41 C ATOM 0 H ALA A 65 10.406 -13.399 -4.330 1.00 0.58 H new ATOM 0 HA ALA A 65 8.102 -15.057 -3.853 1.00 0.89 H new ATOM 0 HB1 ALA A 65 9.323 -15.597 -1.772 1.00 1.41 H new ATOM 0 HB2 ALA A 65 10.369 -15.741 -3.205 1.00 1.41 H new ATOM 0 HB3 ALA A 65 10.506 -14.320 -2.142 1.00 1.41 H new ATOM 962 N PRO A 66 6.655 -13.719 -2.337 1.00 0.50 N ATOM 963 CA PRO A 66 5.729 -12.923 -1.529 1.00 0.40 C ATOM 964 C PRO A 66 6.298 -12.483 -0.189 1.00 0.41 C ATOM 965 O PRO A 66 5.729 -11.616 0.471 1.00 0.62 O ATOM 966 CB PRO A 66 4.550 -13.861 -1.291 1.00 0.47 C ATOM 967 CG PRO A 66 4.607 -14.882 -2.375 1.00 0.75 C ATOM 968 CD PRO A 66 6.017 -14.907 -2.905 1.00 0.64 C ATOM 0 HA PRO A 66 5.480 -11.996 -2.046 1.00 0.40 H new ATOM 0 HB2 PRO A 66 4.618 -14.331 -0.310 1.00 0.47 H new ATOM 0 HB3 PRO A 66 3.607 -13.316 -1.319 1.00 0.47 H new ATOM 0 HG2 PRO A 66 4.325 -15.863 -1.992 1.00 0.75 H new ATOM 0 HG3 PRO A 66 3.904 -14.636 -3.170 1.00 0.75 H new ATOM 0 HD2 PRO A 66 6.536 -15.817 -2.603 1.00 0.64 H new ATOM 0 HD3 PRO A 66 6.030 -14.879 -3.995 1.00 0.64 H new ATOM 976 N GLU A 67 7.406 -13.080 0.221 1.00 0.40 N ATOM 977 CA GLU A 67 8.005 -12.725 1.498 1.00 0.44 C ATOM 978 C GLU A 67 9.102 -11.681 1.353 1.00 0.37 C ATOM 979 O GLU A 67 9.359 -10.921 2.288 1.00 0.40 O ATOM 980 CB GLU A 67 8.533 -13.962 2.229 1.00 0.57 C ATOM 981 CG GLU A 67 9.025 -15.049 1.302 1.00 0.65 C ATOM 982 CD GLU A 67 9.729 -16.174 2.037 1.00 0.80 C ATOM 983 OE1 GLU A 67 10.759 -15.904 2.689 1.00 1.28 O ATOM 984 OE2 GLU A 67 9.249 -17.325 1.960 1.00 1.19 O ATOM 0 H GLU A 67 7.902 -13.801 -0.302 1.00 0.40 H new ATOM 0 HA GLU A 67 7.212 -12.281 2.099 1.00 0.44 H new ATOM 0 HB2 GLU A 67 9.347 -13.663 2.889 1.00 0.57 H new ATOM 0 HB3 GLU A 67 7.742 -14.366 2.861 1.00 0.57 H new ATOM 0 HG2 GLU A 67 8.180 -15.457 0.747 1.00 0.65 H new ATOM 0 HG3 GLU A 67 9.708 -14.615 0.571 1.00 0.65 H new ATOM 991 N GLU A 68 9.744 -11.626 0.195 1.00 0.34 N ATOM 992 CA GLU A 68 10.791 -10.648 -0.021 1.00 0.31 C ATOM 993 C GLU A 68 10.210 -9.344 -0.540 1.00 0.29 C ATOM 994 O GLU A 68 10.834 -8.295 -0.414 1.00 0.30 O ATOM 995 CB GLU A 68 11.860 -11.169 -0.983 1.00 0.37 C ATOM 996 CG GLU A 68 13.093 -10.277 -1.030 1.00 0.34 C ATOM 997 CD GLU A 68 14.196 -10.828 -1.912 1.00 0.53 C ATOM 998 OE1 GLU A 68 13.986 -10.906 -3.141 1.00 1.21 O ATOM 999 OE2 GLU A 68 15.265 -11.182 -1.378 1.00 1.02 O ATOM 0 H GLU A 68 9.559 -12.240 -0.598 1.00 0.34 H new ATOM 0 HA GLU A 68 11.267 -10.464 0.942 1.00 0.31 H new ATOM 0 HB2 GLU A 68 12.155 -12.174 -0.682 1.00 0.37 H new ATOM 0 HB3 GLU A 68 11.435 -11.248 -1.984 1.00 0.37 H new ATOM 0 HG2 GLU A 68 12.806 -9.290 -1.393 1.00 0.34 H new ATOM 0 HG3 GLU A 68 13.477 -10.146 -0.018 1.00 0.34 H new ATOM 1006 N LEU A 69 9.026 -9.408 -1.156 1.00 0.32 N ATOM 1007 CA LEU A 69 8.416 -8.205 -1.711 1.00 0.36 C ATOM 1008 C LEU A 69 8.078 -7.172 -0.650 1.00 0.35 C ATOM 1009 O LEU A 69 8.639 -6.079 -0.670 1.00 0.41 O ATOM 1010 CB LEU A 69 7.194 -8.518 -2.558 1.00 0.42 C ATOM 1011 CG LEU A 69 6.340 -7.307 -2.945 1.00 0.54 C ATOM 1012 CD1 LEU A 69 5.800 -7.462 -4.354 1.00 1.08 C ATOM 1013 CD2 LEU A 69 5.198 -7.117 -1.963 1.00 1.51 C ATOM 0 H LEU A 69 8.483 -10.263 -1.280 1.00 0.32 H new ATOM 0 HA LEU A 69 9.174 -7.768 -2.361 1.00 0.36 H new ATOM 0 HB2 LEU A 69 7.522 -9.017 -3.470 1.00 0.42 H new ATOM 0 HB3 LEU A 69 6.567 -9.226 -2.015 1.00 0.42 H new ATOM 0 HG LEU A 69 6.975 -6.422 -2.911 1.00 0.54 H new ATOM 0 HD11 LEU A 69 5.196 -6.592 -4.610 1.00 1.08 H new ATOM 0 HD12 LEU A 69 6.631 -7.546 -5.055 1.00 1.08 H new ATOM 0 HD13 LEU A 69 5.185 -8.360 -4.411 1.00 1.08 H new ATOM 0 HD21 LEU A 69 4.605 -6.251 -2.258 1.00 1.51 H new ATOM 0 HD22 LEU A 69 4.567 -8.006 -1.962 1.00 1.51 H new ATOM 0 HD23 LEU A 69 5.601 -6.957 -0.963 1.00 1.51 H new ATOM 1025 N LEU A 70 7.177 -7.491 0.284 1.00 0.33 N ATOM 1026 CA LEU A 70 6.850 -6.523 1.325 1.00 0.39 C ATOM 1027 C LEU A 70 8.146 -5.998 1.910 1.00 0.42 C ATOM 1028 O LEU A 70 8.219 -4.884 2.425 1.00 0.61 O ATOM 1029 CB LEU A 70 5.982 -7.134 2.426 1.00 0.44 C ATOM 1030 CG LEU A 70 5.805 -6.243 3.661 1.00 0.58 C ATOM 1031 CD1 LEU A 70 4.451 -6.472 4.296 1.00 1.16 C ATOM 1032 CD2 LEU A 70 6.909 -6.504 4.675 1.00 1.01 C ATOM 0 H LEU A 70 6.679 -8.379 0.339 1.00 0.33 H new ATOM 0 HA LEU A 70 6.271 -5.713 0.882 1.00 0.39 H new ATOM 0 HB2 LEU A 70 4.999 -7.361 2.013 1.00 0.44 H new ATOM 0 HB3 LEU A 70 6.424 -8.081 2.737 1.00 0.44 H new ATOM 0 HG LEU A 70 5.867 -5.204 3.338 1.00 0.58 H new ATOM 0 HD11 LEU A 70 4.346 -5.830 5.171 1.00 1.16 H new ATOM 0 HD12 LEU A 70 3.667 -6.236 3.576 1.00 1.16 H new ATOM 0 HD13 LEU A 70 4.363 -7.515 4.599 1.00 1.16 H new ATOM 0 HD21 LEU A 70 6.765 -5.861 5.544 1.00 1.01 H new ATOM 0 HD22 LEU A 70 6.877 -7.548 4.987 1.00 1.01 H new ATOM 0 HD23 LEU A 70 7.877 -6.290 4.222 1.00 1.01 H new ATOM 1044 N ASN A 71 9.169 -6.825 1.806 1.00 0.31 N ATOM 1045 CA ASN A 71 10.492 -6.472 2.298 1.00 0.35 C ATOM 1046 C ASN A 71 11.234 -5.537 1.337 1.00 0.38 C ATOM 1047 O ASN A 71 11.915 -4.614 1.786 1.00 0.45 O ATOM 1048 CB ASN A 71 11.320 -7.723 2.570 1.00 0.36 C ATOM 1049 CG ASN A 71 10.884 -8.414 3.844 1.00 1.06 C ATOM 1050 OD1 ASN A 71 9.777 -8.944 3.931 1.00 1.87 O ATOM 1051 ND2 ASN A 71 11.746 -8.389 4.853 1.00 1.53 N ATOM 0 H ASN A 71 9.111 -7.751 1.383 1.00 0.31 H new ATOM 0 HA ASN A 71 10.352 -5.933 3.235 1.00 0.35 H new ATOM 0 HB2 ASN A 71 11.225 -8.412 1.731 1.00 0.36 H new ATOM 0 HB3 ASN A 71 12.374 -7.454 2.644 1.00 0.36 H new ATOM 0 HD21 ASN A 71 11.501 -8.820 5.744 1.00 1.53 H new ATOM 0 HD22 ASN A 71 12.654 -7.938 4.737 1.00 1.53 H new ATOM 1058 N HIS A 72 11.103 -5.748 0.018 1.00 0.35 N ATOM 1059 CA HIS A 72 11.776 -4.878 -0.935 1.00 0.42 C ATOM 1060 C HIS A 72 11.223 -3.470 -0.796 1.00 0.41 C ATOM 1061 O HIS A 72 11.949 -2.484 -0.927 1.00 0.43 O ATOM 1062 CB HIS A 72 11.610 -5.385 -2.375 1.00 0.51 C ATOM 1063 CG HIS A 72 10.267 -5.116 -2.989 1.00 1.07 C ATOM 1064 ND1 HIS A 72 9.718 -3.853 -3.094 1.00 2.09 N ATOM 1065 CD2 HIS A 72 9.372 -5.958 -3.553 1.00 1.39 C ATOM 1066 CE1 HIS A 72 8.543 -3.934 -3.693 1.00 2.99 C ATOM 1067 NE2 HIS A 72 8.313 -5.199 -3.983 1.00 2.56 N ATOM 0 H HIS A 72 10.549 -6.497 -0.397 1.00 0.35 H new ATOM 0 HA HIS A 72 12.844 -4.877 -0.716 1.00 0.42 H new ATOM 0 HB2 HIS A 72 12.377 -4.924 -2.998 1.00 0.51 H new ATOM 0 HB3 HIS A 72 11.791 -6.460 -2.389 1.00 0.51 H new ATOM 0 HD2 HIS A 72 9.472 -7.029 -3.647 1.00 1.39 H new ATOM 0 HE1 HIS A 72 7.884 -3.106 -3.908 1.00 2.99 H new ATOM 0 HE2 HIS A 72 7.481 -5.557 -4.452 1.00 2.56 H new ATOM 1076 N THR A 73 9.926 -3.395 -0.511 1.00 0.45 N ATOM 1077 CA THR A 73 9.249 -2.123 -0.326 1.00 0.49 C ATOM 1078 C THR A 73 9.982 -1.314 0.735 1.00 0.46 C ATOM 1079 O THR A 73 10.331 -0.155 0.512 1.00 0.47 O ATOM 1080 CB THR A 73 7.797 -2.345 0.091 1.00 0.58 C ATOM 1081 OG1 THR A 73 7.717 -2.757 1.441 1.00 0.62 O ATOM 1082 CG2 THR A 73 7.083 -3.385 -0.744 1.00 0.66 C ATOM 0 H THR A 73 9.322 -4.210 -0.403 1.00 0.45 H new ATOM 0 HA THR A 73 9.253 -1.575 -1.269 1.00 0.49 H new ATOM 0 HB THR A 73 7.309 -1.382 -0.059 1.00 0.58 H new ATOM 0 HG1 THR A 73 8.140 -3.635 1.541 1.00 0.62 H new ATOM 0 HG21 THR A 73 6.057 -3.492 -0.393 1.00 0.66 H new ATOM 0 HG22 THR A 73 7.079 -3.073 -1.788 1.00 0.66 H new ATOM 0 HG23 THR A 73 7.599 -4.341 -0.653 1.00 0.66 H new ATOM 1090 N GLN A 74 10.224 -1.943 1.886 1.00 0.49 N ATOM 1091 CA GLN A 74 10.943 -1.286 2.973 1.00 0.49 C ATOM 1092 C GLN A 74 12.253 -0.704 2.455 1.00 0.43 C ATOM 1093 O GLN A 74 12.715 0.336 2.927 1.00 0.45 O ATOM 1094 CB GLN A 74 11.241 -2.271 4.108 1.00 0.60 C ATOM 1095 CG GLN A 74 10.005 -2.805 4.809 1.00 0.65 C ATOM 1096 CD GLN A 74 9.177 -1.699 5.439 1.00 0.87 C ATOM 1097 OE1 GLN A 74 9.629 -1.014 6.356 1.00 1.66 O ATOM 1098 NE2 GLN A 74 7.961 -1.515 4.944 1.00 1.05 N ATOM 0 H GLN A 74 9.934 -2.900 2.087 1.00 0.49 H new ATOM 0 HA GLN A 74 10.312 -0.486 3.360 1.00 0.49 H new ATOM 0 HB2 GLN A 74 11.808 -3.111 3.706 1.00 0.60 H new ATOM 0 HB3 GLN A 74 11.878 -1.779 4.843 1.00 0.60 H new ATOM 0 HG2 GLN A 74 9.392 -3.352 4.093 1.00 0.65 H new ATOM 0 HG3 GLN A 74 10.305 -3.515 5.580 1.00 0.65 H new ATOM 0 HE21 GLN A 74 7.625 -2.106 4.183 1.00 1.05 H new ATOM 0 HE22 GLN A 74 7.361 -0.783 5.324 1.00 1.05 H new ATOM 1107 N ARG A 75 12.846 -1.388 1.480 1.00 0.44 N ATOM 1108 CA ARG A 75 14.105 -0.948 0.889 1.00 0.46 C ATOM 1109 C ARG A 75 13.873 0.204 -0.076 1.00 0.43 C ATOM 1110 O ARG A 75 14.731 1.067 -0.227 1.00 0.52 O ATOM 1111 CB ARG A 75 14.792 -2.106 0.170 1.00 0.59 C ATOM 1112 CG ARG A 75 16.142 -1.748 -0.431 1.00 1.17 C ATOM 1113 CD ARG A 75 16.793 -2.957 -1.083 1.00 1.93 C ATOM 1114 NE ARG A 75 18.118 -2.649 -1.613 1.00 2.51 N ATOM 1115 CZ ARG A 75 18.896 -3.543 -2.214 1.00 2.97 C ATOM 1116 NH1 ARG A 75 18.485 -4.797 -2.356 1.00 3.08 N ATOM 1117 NH2 ARG A 75 20.088 -3.186 -2.672 1.00 3.82 N ATOM 0 H ARG A 75 12.474 -2.250 1.083 1.00 0.44 H new ATOM 0 HA ARG A 75 14.754 -0.601 1.693 1.00 0.46 H new ATOM 0 HB2 ARG A 75 14.925 -2.928 0.873 1.00 0.59 H new ATOM 0 HB3 ARG A 75 14.137 -2.467 -0.623 1.00 0.59 H new ATOM 0 HG2 ARG A 75 16.015 -0.957 -1.170 1.00 1.17 H new ATOM 0 HG3 ARG A 75 16.796 -1.355 0.347 1.00 1.17 H new ATOM 0 HD2 ARG A 75 16.873 -3.762 -0.353 1.00 1.93 H new ATOM 0 HD3 ARG A 75 16.156 -3.320 -1.889 1.00 1.93 H new ATOM 0 HE ARG A 75 18.466 -1.695 -1.517 1.00 2.51 H new ATOM 0 HH11 ARG A 75 17.570 -5.077 -2.003 1.00 3.08 H new ATOM 0 HH12 ARG A 75 19.084 -5.481 -2.818 1.00 3.08 H new ATOM 0 HH21 ARG A 75 20.409 -2.224 -2.563 1.00 3.82 H new ATOM 0 HH22 ARG A 75 20.684 -3.873 -3.133 1.00 3.82 H new ATOM 1131 N ILE A 76 12.705 0.231 -0.711 1.00 0.43 N ATOM 1132 CA ILE A 76 12.384 1.307 -1.634 1.00 0.48 C ATOM 1133 C ILE A 76 12.272 2.597 -0.848 1.00 0.49 C ATOM 1134 O ILE A 76 12.602 3.679 -1.332 1.00 0.60 O ATOM 1135 CB ILE A 76 11.066 1.059 -2.387 1.00 0.53 C ATOM 1136 CG1 ILE A 76 11.078 -0.323 -3.042 1.00 0.62 C ATOM 1137 CG2 ILE A 76 10.863 2.148 -3.432 1.00 0.64 C ATOM 1138 CD1 ILE A 76 9.791 -0.665 -3.764 1.00 1.42 C ATOM 0 H ILE A 76 11.975 -0.473 -0.603 1.00 0.43 H new ATOM 0 HA ILE A 76 13.179 1.363 -2.378 1.00 0.48 H new ATOM 0 HB ILE A 76 10.238 1.090 -1.679 1.00 0.53 H new ATOM 0 HG12 ILE A 76 11.906 -0.373 -3.750 1.00 0.62 H new ATOM 0 HG13 ILE A 76 11.267 -1.076 -2.277 1.00 0.62 H new ATOM 0 HG21 ILE A 76 9.929 1.971 -3.965 1.00 0.64 H new ATOM 0 HG22 ILE A 76 10.822 3.120 -2.941 1.00 0.64 H new ATOM 0 HG23 ILE A 76 11.692 2.133 -4.139 1.00 0.64 H new ATOM 0 HD11 ILE A 76 9.873 -1.659 -4.203 1.00 1.42 H new ATOM 0 HD12 ILE A 76 8.962 -0.648 -3.057 1.00 1.42 H new ATOM 0 HD13 ILE A 76 9.611 0.066 -4.552 1.00 1.42 H new ATOM 1150 N GLU A 77 11.824 2.450 0.391 1.00 0.45 N ATOM 1151 CA GLU A 77 11.677 3.568 1.299 1.00 0.52 C ATOM 1152 C GLU A 77 13.056 4.111 1.653 1.00 0.52 C ATOM 1153 O GLU A 77 13.337 5.295 1.482 1.00 0.71 O ATOM 1154 CB GLU A 77 10.951 3.108 2.558 1.00 0.59 C ATOM 1155 CG GLU A 77 9.592 2.491 2.290 1.00 0.95 C ATOM 1156 CD GLU A 77 8.890 2.045 3.559 1.00 1.15 C ATOM 1157 OE1 GLU A 77 9.468 2.219 4.652 1.00 1.59 O ATOM 1158 OE2 GLU A 77 7.762 1.519 3.458 1.00 1.52 O ATOM 0 H GLU A 77 11.554 1.551 0.790 1.00 0.45 H new ATOM 0 HA GLU A 77 11.094 4.357 0.825 1.00 0.52 H new ATOM 0 HB2 GLU A 77 11.573 2.381 3.080 1.00 0.59 H new ATOM 0 HB3 GLU A 77 10.827 3.960 3.227 1.00 0.59 H new ATOM 0 HG2 GLU A 77 8.966 3.215 1.769 1.00 0.95 H new ATOM 0 HG3 GLU A 77 9.711 1.635 1.626 1.00 0.95 H new ATOM 1165 N LEU A 78 13.920 3.217 2.119 1.00 0.47 N ATOM 1166 CA LEU A 78 15.286 3.580 2.467 1.00 0.56 C ATOM 1167 C LEU A 78 15.954 4.223 1.263 1.00 0.57 C ATOM 1168 O LEU A 78 16.621 5.251 1.374 1.00 0.66 O ATOM 1169 CB LEU A 78 16.078 2.342 2.898 1.00 0.63 C ATOM 1170 CG LEU A 78 15.579 1.650 4.168 1.00 0.71 C ATOM 1171 CD1 LEU A 78 16.285 0.317 4.360 1.00 0.83 C ATOM 1172 CD2 LEU A 78 15.798 2.541 5.383 1.00 0.84 C ATOM 0 H LEU A 78 13.697 2.232 2.265 1.00 0.47 H new ATOM 0 HA LEU A 78 15.266 4.284 3.299 1.00 0.56 H new ATOM 0 HB2 LEU A 78 16.062 1.620 2.082 1.00 0.63 H new ATOM 0 HB3 LEU A 78 17.118 2.632 3.048 1.00 0.63 H new ATOM 0 HG LEU A 78 14.510 1.466 4.060 1.00 0.71 H new ATOM 0 HD11 LEU A 78 15.918 -0.162 5.268 1.00 0.83 H new ATOM 0 HD12 LEU A 78 16.085 -0.327 3.504 1.00 0.83 H new ATOM 0 HD13 LEU A 78 17.359 0.483 4.446 1.00 0.83 H new ATOM 0 HD21 LEU A 78 15.437 2.032 6.277 1.00 0.84 H new ATOM 0 HD22 LEU A 78 16.862 2.754 5.491 1.00 0.84 H new ATOM 0 HD23 LEU A 78 15.252 3.475 5.252 1.00 0.84 H new ATOM 1184 N GLN A 79 15.752 3.602 0.106 1.00 0.56 N ATOM 1185 CA GLN A 79 16.312 4.094 -1.143 1.00 0.63 C ATOM 1186 C GLN A 79 15.603 5.360 -1.603 1.00 0.66 C ATOM 1187 O GLN A 79 16.038 6.007 -2.556 1.00 0.84 O ATOM 1188 CB GLN A 79 16.205 3.028 -2.231 1.00 0.67 C ATOM 1189 CG GLN A 79 16.980 1.764 -1.915 1.00 0.93 C ATOM 1190 CD GLN A 79 16.932 0.739 -3.036 1.00 1.22 C ATOM 1191 OE1 GLN A 79 17.542 -0.326 -2.939 1.00 1.95 O ATOM 1192 NE2 GLN A 79 16.207 1.048 -4.107 1.00 1.30 N ATOM 0 H GLN A 79 15.200 2.750 0.010 1.00 0.56 H new ATOM 0 HA GLN A 79 17.362 4.327 -0.965 1.00 0.63 H new ATOM 0 HB2 GLN A 79 15.155 2.774 -2.378 1.00 0.67 H new ATOM 0 HB3 GLN A 79 16.568 3.442 -3.172 1.00 0.67 H new ATOM 0 HG2 GLN A 79 18.019 2.023 -1.712 1.00 0.93 H new ATOM 0 HG3 GLN A 79 16.579 1.317 -1.005 1.00 0.93 H new ATOM 0 HE21 GLN A 79 15.716 1.941 -4.150 1.00 1.30 H new ATOM 0 HE22 GLN A 79 16.142 0.392 -4.885 1.00 1.30 H new ATOM 1201 N GLN A 80 14.507 5.716 -0.936 1.00 0.54 N ATOM 1202 CA GLN A 80 13.765 6.901 -1.305 1.00 0.59 C ATOM 1203 C GLN A 80 14.258 8.110 -0.531 1.00 0.68 C ATOM 1204 O GLN A 80 13.858 9.242 -0.808 1.00 0.78 O ATOM 1205 CB GLN A 80 12.274 6.685 -1.058 1.00 0.54 C ATOM 1206 CG GLN A 80 11.438 6.699 -2.327 1.00 0.99 C ATOM 1207 CD GLN A 80 11.640 7.957 -3.151 1.00 0.98 C ATOM 1208 OE1 GLN A 80 12.726 8.210 -3.672 1.00 1.68 O ATOM 1209 NE2 GLN A 80 10.590 8.754 -3.274 1.00 0.74 N ATOM 0 H GLN A 80 14.122 5.200 -0.145 1.00 0.54 H new ATOM 0 HA GLN A 80 13.924 7.089 -2.367 1.00 0.59 H new ATOM 0 HB2 GLN A 80 12.133 5.731 -0.551 1.00 0.54 H new ATOM 0 HB3 GLN A 80 11.910 7.461 -0.385 1.00 0.54 H new ATOM 0 HG2 GLN A 80 11.691 5.829 -2.933 1.00 0.99 H new ATOM 0 HG3 GLN A 80 10.384 6.608 -2.063 1.00 0.99 H new ATOM 0 HE21 GLN A 80 9.707 8.508 -2.826 1.00 0.74 H new ATOM 0 HE22 GLN A 80 10.664 9.614 -3.817 1.00 0.74 H new ATOM 1218 N GLY A 81 15.120 7.868 0.453 1.00 0.74 N ATOM 1219 CA GLY A 81 15.632 8.959 1.256 1.00 0.88 C ATOM 1220 C GLY A 81 14.508 9.633 2.004 1.00 0.89 C ATOM 1221 O GLY A 81 14.610 10.793 2.403 1.00 0.99 O ATOM 0 H GLY A 81 15.469 6.943 0.705 1.00 0.74 H new ATOM 0 HA2 GLY A 81 16.373 8.583 1.961 1.00 0.88 H new ATOM 0 HA3 GLY A 81 16.138 9.683 0.617 1.00 0.88 H new ATOM 1225 N ARG A 82 13.430 8.880 2.177 1.00 0.95 N ATOM 1226 CA ARG A 82 12.243 9.351 2.867 1.00 1.07 C ATOM 1227 C ARG A 82 12.549 9.723 4.316 1.00 1.09 C ATOM 1228 O ARG A 82 13.444 10.518 4.598 1.00 1.50 O ATOM 1229 CB ARG A 82 11.131 8.281 2.728 1.00 1.34 C ATOM 1230 CG ARG A 82 11.530 6.836 3.082 1.00 1.78 C ATOM 1231 CD ARG A 82 12.637 6.729 4.128 1.00 2.05 C ATOM 1232 NE ARG A 82 13.025 5.344 4.396 1.00 2.68 N ATOM 1233 CZ ARG A 82 12.224 4.450 4.972 1.00 3.14 C ATOM 1234 NH1 ARG A 82 10.985 4.778 5.308 1.00 3.20 N ATOM 1235 NH2 ARG A 82 12.658 3.219 5.195 1.00 3.90 N ATOM 0 H ARG A 82 13.357 7.920 1.840 1.00 0.95 H new ATOM 0 HA ARG A 82 11.884 10.272 2.408 1.00 1.07 H new ATOM 0 HB2 ARG A 82 10.295 8.571 3.364 1.00 1.34 H new ATOM 0 HB3 ARG A 82 10.769 8.294 1.700 1.00 1.34 H new ATOM 0 HG2 ARG A 82 10.649 6.307 3.446 1.00 1.78 H new ATOM 0 HG3 ARG A 82 11.854 6.328 2.174 1.00 1.78 H new ATOM 0 HD2 ARG A 82 13.509 7.287 3.787 1.00 2.05 H new ATOM 0 HD3 ARG A 82 12.302 7.195 5.055 1.00 2.05 H new ATOM 0 HE ARG A 82 13.963 5.046 4.126 1.00 2.68 H new ATOM 0 HH11 ARG A 82 10.640 5.720 5.126 1.00 3.20 H new ATOM 0 HH12 ARG A 82 10.377 4.088 5.749 1.00 3.20 H new ATOM 0 HH21 ARG A 82 13.606 2.956 4.926 1.00 3.90 H new ATOM 0 HH22 ARG A 82 12.044 2.534 5.636 1.00 3.90 H new ATOM 1249 N VAL A 83 11.796 9.152 5.211 1.00 1.01 N ATOM 1250 CA VAL A 83 11.931 9.390 6.633 1.00 1.24 C ATOM 1251 C VAL A 83 13.210 8.785 7.194 1.00 1.17 C ATOM 1252 O VAL A 83 13.585 7.658 6.868 1.00 1.65 O ATOM 1253 CB VAL A 83 10.752 8.741 7.360 1.00 1.94 C ATOM 1254 CG1 VAL A 83 10.521 7.342 6.797 1.00 2.77 C ATOM 1255 CG2 VAL A 83 11.003 8.681 8.860 1.00 2.45 C ATOM 0 H VAL A 83 11.054 8.493 4.976 1.00 1.01 H new ATOM 0 HA VAL A 83 11.957 10.469 6.784 1.00 1.24 H new ATOM 0 HB VAL A 83 9.860 9.346 7.199 1.00 1.94 H new ATOM 0 HG11 VAL A 83 9.681 6.876 7.313 1.00 2.77 H new ATOM 0 HG12 VAL A 83 10.300 7.410 5.732 1.00 2.77 H new ATOM 0 HG13 VAL A 83 11.417 6.738 6.943 1.00 2.77 H new ATOM 0 HG21 VAL A 83 10.150 8.215 9.353 1.00 2.45 H new ATOM 0 HG22 VAL A 83 11.900 8.094 9.056 1.00 2.45 H new ATOM 0 HG23 VAL A 83 11.139 9.691 9.247 1.00 2.45 H new ATOM 1265 N ARG A 84 13.859 9.552 8.057 1.00 1.26 N ATOM 1266 CA ARG A 84 15.090 9.123 8.705 1.00 1.64 C ATOM 1267 C ARG A 84 15.099 9.580 10.157 1.00 1.64 C ATOM 1268 O ARG A 84 16.151 9.655 10.794 1.00 2.28 O ATOM 1269 CB ARG A 84 16.300 9.692 7.960 1.00 2.64 C ATOM 1270 CG ARG A 84 16.411 9.211 6.521 1.00 3.46 C ATOM 1271 CD ARG A 84 16.675 7.715 6.454 1.00 4.08 C ATOM 1272 NE ARG A 84 17.900 7.345 7.155 1.00 4.79 N ATOM 1273 CZ ARG A 84 18.334 6.093 7.275 1.00 5.36 C ATOM 1274 NH1 ARG A 84 17.643 5.094 6.744 1.00 5.36 N ATOM 1275 NH2 ARG A 84 19.459 5.841 7.929 1.00 6.26 N ATOM 0 H ARG A 84 13.549 10.485 8.327 1.00 1.26 H new ATOM 0 HA ARG A 84 15.145 8.035 8.680 1.00 1.64 H new ATOM 0 HB2 ARG A 84 16.241 10.780 7.967 1.00 2.64 H new ATOM 0 HB3 ARG A 84 17.208 9.418 8.497 1.00 2.64 H new ATOM 0 HG2 ARG A 84 15.490 9.444 5.986 1.00 3.46 H new ATOM 0 HG3 ARG A 84 17.216 9.747 6.018 1.00 3.46 H new ATOM 0 HD2 ARG A 84 15.832 7.178 6.889 1.00 4.08 H new ATOM 0 HD3 ARG A 84 16.746 7.406 5.411 1.00 4.08 H new ATOM 0 HE ARG A 84 18.456 8.089 7.577 1.00 4.79 H new ATOM 0 HH11 ARG A 84 16.776 5.284 6.242 1.00 5.36 H new ATOM 0 HH12 ARG A 84 17.978 4.135 6.838 1.00 5.36 H new ATOM 0 HH21 ARG A 84 19.992 6.607 8.340 1.00 6.26 H new ATOM 0 HH22 ARG A 84 19.791 4.881 8.021 1.00 6.26 H new ATOM 1289 N LYS A 85 13.910 9.896 10.673 1.00 1.79 N ATOM 1290 CA LYS A 85 13.757 10.360 12.047 1.00 2.53 C ATOM 1291 C LYS A 85 12.434 9.879 12.622 1.00 2.61 C ATOM 1292 O LYS A 85 12.391 9.163 13.623 1.00 3.08 O ATOM 1293 CB LYS A 85 13.798 11.891 12.092 1.00 3.13 C ATOM 1294 CG LYS A 85 14.825 12.504 11.155 1.00 3.58 C ATOM 1295 CD LYS A 85 14.844 14.022 11.250 1.00 4.39 C ATOM 1296 CE LYS A 85 13.518 14.629 10.818 1.00 5.02 C ATOM 1297 NZ LYS A 85 13.530 16.116 10.910 1.00 5.50 N ATOM 0 H LYS A 85 13.035 9.837 10.153 1.00 1.79 H new ATOM 0 HA LYS A 85 14.577 9.955 12.641 1.00 2.53 H new ATOM 0 HB2 LYS A 85 12.811 12.279 11.839 1.00 3.13 H new ATOM 0 HB3 LYS A 85 14.014 12.210 13.112 1.00 3.13 H new ATOM 0 HG2 LYS A 85 15.814 12.113 11.394 1.00 3.58 H new ATOM 0 HG3 LYS A 85 14.604 12.207 10.130 1.00 3.58 H new ATOM 0 HD2 LYS A 85 15.064 14.320 12.275 1.00 4.39 H new ATOM 0 HD3 LYS A 85 15.645 14.416 10.625 1.00 4.39 H new ATOM 0 HE2 LYS A 85 13.299 14.331 9.793 1.00 5.02 H new ATOM 0 HE3 LYS A 85 12.717 14.233 11.443 1.00 5.02 H new ATOM 0 HZ1 LYS A 85 12.608 16.490 10.607 1.00 5.50 H new ATOM 0 HZ2 LYS A 85 13.713 16.402 11.893 1.00 5.50 H new ATOM 0 HZ3 LYS A 85 14.277 16.496 10.294 1.00 5.50 H new ATOM 1311 N ALA A 86 11.359 10.293 11.970 1.00 2.48 N ATOM 1312 CA ALA A 86 10.006 9.937 12.380 1.00 2.58 C ATOM 1313 C ALA A 86 9.741 8.446 12.221 1.00 2.00 C ATOM 1314 O ALA A 86 10.592 7.695 11.743 1.00 1.95 O ATOM 1315 CB ALA A 86 8.989 10.729 11.577 1.00 3.19 C ATOM 0 H ALA A 86 11.398 10.886 11.141 1.00 2.48 H new ATOM 0 HA ALA A 86 9.908 10.184 13.437 1.00 2.58 H new ATOM 0 HB1 ALA A 86 7.983 10.454 11.892 1.00 3.19 H new ATOM 0 HB2 ALA A 86 9.143 11.795 11.745 1.00 3.19 H new ATOM 0 HB3 ALA A 86 9.110 10.507 10.517 1.00 3.19 H new ATOM 1321 N GLU A 87 8.549 8.032 12.630 1.00 2.01 N ATOM 1322 CA GLU A 87 8.145 6.635 12.547 1.00 1.67 C ATOM 1323 C GLU A 87 7.868 6.211 11.115 1.00 1.90 C ATOM 1324 O GLU A 87 7.073 6.831 10.409 1.00 2.39 O ATOM 1325 CB GLU A 87 6.903 6.400 13.396 1.00 2.04 C ATOM 1326 CG GLU A 87 7.126 6.664 14.877 1.00 2.47 C ATOM 1327 CD GLU A 87 8.216 5.790 15.468 1.00 3.23 C ATOM 1328 OE1 GLU A 87 8.064 4.551 15.438 1.00 3.80 O ATOM 1329 OE2 GLU A 87 9.219 6.345 15.962 1.00 3.66 O ATOM 0 H GLU A 87 7.840 8.650 13.026 1.00 2.01 H new ATOM 0 HA GLU A 87 8.971 6.032 12.923 1.00 1.67 H new ATOM 0 HB2 GLU A 87 6.099 7.043 13.037 1.00 2.04 H new ATOM 0 HB3 GLU A 87 6.571 5.370 13.264 1.00 2.04 H new ATOM 0 HG2 GLU A 87 7.389 7.712 15.020 1.00 2.47 H new ATOM 0 HG3 GLU A 87 6.195 6.492 15.417 1.00 2.47 H new ATOM 1336 N ARG A 88 8.516 5.129 10.702 1.00 1.97 N ATOM 1337 CA ARG A 88 8.327 4.593 9.364 1.00 2.47 C ATOM 1338 C ARG A 88 6.924 4.012 9.245 1.00 2.28 C ATOM 1339 O ARG A 88 6.389 3.860 8.147 1.00 2.54 O ATOM 1340 CB ARG A 88 9.374 3.520 9.074 1.00 2.97 C ATOM 1341 CG ARG A 88 9.321 2.348 10.040 1.00 3.30 C ATOM 1342 CD ARG A 88 10.364 1.293 9.705 1.00 3.95 C ATOM 1343 NE ARG A 88 10.301 0.160 10.624 1.00 4.47 N ATOM 1344 CZ ARG A 88 9.250 -0.649 10.731 1.00 5.01 C ATOM 1345 NH1 ARG A 88 8.192 -0.480 9.948 1.00 5.17 N ATOM 1346 NH2 ARG A 88 9.260 -1.636 11.618 1.00 5.74 N ATOM 0 H ARG A 88 9.177 4.606 11.277 1.00 1.97 H new ATOM 0 HA ARG A 88 8.445 5.394 8.634 1.00 2.47 H new ATOM 0 HB2 ARG A 88 9.233 3.151 8.058 1.00 2.97 H new ATOM 0 HB3 ARG A 88 10.366 3.970 9.115 1.00 2.97 H new ATOM 0 HG2 ARG A 88 9.481 2.707 11.057 1.00 3.30 H new ATOM 0 HG3 ARG A 88 8.328 1.899 10.013 1.00 3.30 H new ATOM 0 HD2 ARG A 88 10.212 0.942 8.684 1.00 3.95 H new ATOM 0 HD3 ARG A 88 11.358 1.739 9.744 1.00 3.95 H new ATOM 0 HE ARG A 88 11.110 -0.022 11.218 1.00 4.47 H new ATOM 0 HH11 ARG A 88 8.182 0.273 9.260 1.00 5.17 H new ATOM 0 HH12 ARG A 88 7.389 -1.103 10.034 1.00 5.17 H new ATOM 0 HH21 ARG A 88 10.073 -1.774 12.218 1.00 5.74 H new ATOM 0 HH22 ARG A 88 8.454 -2.256 11.700 1.00 5.74 H new ATOM 1360 N TRP A 89 6.331 3.702 10.397 1.00 1.98 N ATOM 1361 CA TRP A 89 4.984 3.154 10.446 1.00 1.91 C ATOM 1362 C TRP A 89 3.976 4.218 10.034 1.00 1.60 C ATOM 1363 O TRP A 89 2.974 3.922 9.383 1.00 1.71 O ATOM 1364 CB TRP A 89 4.661 2.653 11.855 1.00 2.11 C ATOM 1365 CG TRP A 89 3.303 2.033 11.971 1.00 2.00 C ATOM 1366 CD1 TRP A 89 2.879 0.873 11.390 1.00 2.28 C ATOM 1367 CD2 TRP A 89 2.185 2.549 12.704 1.00 2.29 C ATOM 1368 NE1 TRP A 89 1.570 0.630 11.725 1.00 2.69 N ATOM 1369 CE2 TRP A 89 1.121 1.645 12.530 1.00 2.74 C ATOM 1370 CE3 TRP A 89 1.982 3.685 13.493 1.00 2.65 C ATOM 1371 CZ2 TRP A 89 -0.127 1.842 13.116 1.00 3.44 C ATOM 1372 CZ3 TRP A 89 0.743 3.880 14.073 1.00 3.33 C ATOM 1373 CH2 TRP A 89 -0.295 2.963 13.884 1.00 3.70 C ATOM 0 H TRP A 89 6.768 3.823 11.311 1.00 1.98 H new ATOM 0 HA TRP A 89 4.925 2.314 9.754 1.00 1.91 H new ATOM 0 HB2 TRP A 89 5.412 1.922 12.153 1.00 2.11 H new ATOM 0 HB3 TRP A 89 4.732 3.487 12.554 1.00 2.11 H new ATOM 0 HD1 TRP A 89 3.485 0.239 10.759 1.00 2.28 H new ATOM 0 HE1 TRP A 89 1.021 -0.175 11.424 1.00 2.69 H new ATOM 0 HE3 TRP A 89 2.779 4.397 13.646 1.00 2.65 H new ATOM 0 HZ2 TRP A 89 -0.932 1.137 12.970 1.00 3.44 H new ATOM 0 HZ3 TRP A 89 0.574 4.755 14.682 1.00 3.33 H new ATOM 0 HH2 TRP A 89 -1.251 3.143 14.354 1.00 3.70 H new ATOM 1384 N GLY A 90 4.261 5.463 10.408 1.00 1.35 N ATOM 1385 CA GLY A 90 3.379 6.559 10.055 1.00 1.15 C ATOM 1386 C GLY A 90 3.426 6.847 8.572 1.00 1.08 C ATOM 1387 O GLY A 90 4.176 6.195 7.843 1.00 1.29 O ATOM 0 H GLY A 90 5.084 5.730 10.947 1.00 1.35 H new ATOM 0 HA2 GLY A 90 2.358 6.315 10.348 1.00 1.15 H new ATOM 0 HA3 GLY A 90 3.665 7.452 10.610 1.00 1.15 H new ATOM 1391 N PRO A 91 2.665 7.836 8.078 1.00 0.96 N ATOM 1392 CA PRO A 91 2.684 8.188 6.661 1.00 1.07 C ATOM 1393 C PRO A 91 4.017 8.811 6.308 1.00 1.17 C ATOM 1394 O PRO A 91 4.587 8.552 5.248 1.00 1.60 O ATOM 1395 CB PRO A 91 1.555 9.218 6.514 1.00 1.09 C ATOM 1396 CG PRO A 91 0.786 9.153 7.792 1.00 1.09 C ATOM 1397 CD PRO A 91 1.762 8.709 8.841 1.00 0.91 C ATOM 0 HA PRO A 91 2.548 7.328 6.005 1.00 1.07 H new ATOM 0 HB2 PRO A 91 1.955 10.218 6.348 1.00 1.09 H new ATOM 0 HB3 PRO A 91 0.919 8.983 5.661 1.00 1.09 H new ATOM 0 HG2 PRO A 91 0.361 10.125 8.041 1.00 1.09 H new ATOM 0 HG3 PRO A 91 -0.046 8.453 7.712 1.00 1.09 H new ATOM 0 HD2 PRO A 91 2.291 9.551 9.287 1.00 0.91 H new ATOM 0 HD3 PRO A 91 1.270 8.175 9.654 1.00 0.91 H new ATOM 1405 N ARG A 92 4.507 9.617 7.245 1.00 0.93 N ATOM 1406 CA ARG A 92 5.786 10.298 7.122 1.00 1.03 C ATOM 1407 C ARG A 92 6.065 10.709 5.677 1.00 1.13 C ATOM 1408 O ARG A 92 5.338 11.520 5.105 1.00 1.95 O ATOM 1409 CB ARG A 92 6.894 9.404 7.682 1.00 1.21 C ATOM 1410 CG ARG A 92 7.971 10.170 8.429 1.00 1.04 C ATOM 1411 CD ARG A 92 8.588 11.264 7.578 1.00 1.71 C ATOM 1412 NE ARG A 92 9.515 12.089 8.350 1.00 2.57 N ATOM 1413 CZ ARG A 92 10.235 13.084 7.839 1.00 3.53 C ATOM 1414 NH1 ARG A 92 10.141 13.384 6.552 1.00 3.96 N ATOM 1415 NH2 ARG A 92 11.050 13.781 8.619 1.00 4.39 N ATOM 0 H ARG A 92 4.020 9.816 8.119 1.00 0.93 H new ATOM 0 HA ARG A 92 5.754 11.219 7.704 1.00 1.03 H new ATOM 0 HB2 ARG A 92 6.451 8.668 8.353 1.00 1.21 H new ATOM 0 HB3 ARG A 92 7.354 8.852 6.862 1.00 1.21 H new ATOM 0 HG2 ARG A 92 7.543 10.610 9.330 1.00 1.04 H new ATOM 0 HG3 ARG A 92 8.750 9.479 8.751 1.00 1.04 H new ATOM 0 HD2 ARG A 92 9.114 10.816 6.735 1.00 1.71 H new ATOM 0 HD3 ARG A 92 7.799 11.892 7.164 1.00 1.71 H new ATOM 0 HE ARG A 92 9.616 11.889 9.345 1.00 2.57 H new ATOM 0 HH11 ARG A 92 9.515 12.851 5.949 1.00 3.96 H new ATOM 0 HH12 ARG A 92 10.695 14.148 6.165 1.00 3.96 H new ATOM 0 HH21 ARG A 92 11.125 13.554 9.611 1.00 4.39 H new ATOM 0 HH22 ARG A 92 11.602 14.544 8.227 1.00 4.39 H new ATOM 1429 N THR A 93 7.119 10.153 5.091 1.00 0.94 N ATOM 1430 CA THR A 93 7.480 10.476 3.719 1.00 0.91 C ATOM 1431 C THR A 93 7.068 9.357 2.770 1.00 0.83 C ATOM 1432 O THR A 93 6.749 9.602 1.607 1.00 1.08 O ATOM 1433 CB THR A 93 8.982 10.721 3.610 1.00 1.02 C ATOM 1434 OG1 THR A 93 9.386 11.762 4.476 1.00 1.52 O ATOM 1435 CG2 THR A 93 9.424 11.093 2.215 1.00 1.47 C ATOM 0 H THR A 93 7.736 9.479 5.544 1.00 0.94 H new ATOM 0 HA THR A 93 6.948 11.384 3.435 1.00 0.91 H new ATOM 0 HB THR A 93 9.449 9.775 3.886 1.00 1.02 H new ATOM 0 HG1 THR A 93 10.352 11.901 4.391 1.00 1.52 H new ATOM 0 HG21 THR A 93 10.502 11.254 2.206 1.00 1.47 H new ATOM 0 HG22 THR A 93 9.171 10.287 1.526 1.00 1.47 H new ATOM 0 HG23 THR A 93 8.918 12.007 1.905 1.00 1.47 H new ATOM 1443 N LEU A 94 7.081 8.128 3.270 1.00 0.68 N ATOM 1444 CA LEU A 94 6.709 6.971 2.458 1.00 0.64 C ATOM 1445 C LEU A 94 6.364 5.771 3.332 1.00 0.56 C ATOM 1446 O LEU A 94 6.917 5.601 4.418 1.00 0.71 O ATOM 1447 CB LEU A 94 7.845 6.613 1.495 1.00 0.72 C ATOM 1448 CG LEU A 94 7.589 5.398 0.598 1.00 1.00 C ATOM 1449 CD1 LEU A 94 6.388 5.641 -0.305 1.00 1.44 C ATOM 1450 CD2 LEU A 94 8.823 5.076 -0.231 1.00 1.87 C ATOM 0 H LEU A 94 7.344 7.905 4.230 1.00 0.68 H new ATOM 0 HA LEU A 94 5.822 7.235 1.882 1.00 0.64 H new ATOM 0 HB2 LEU A 94 8.046 7.476 0.860 1.00 0.72 H new ATOM 0 HB3 LEU A 94 8.748 6.429 2.078 1.00 0.72 H new ATOM 0 HG LEU A 94 7.370 4.542 1.236 1.00 1.00 H new ATOM 0 HD11 LEU A 94 6.223 4.766 -0.934 1.00 1.44 H new ATOM 0 HD12 LEU A 94 5.504 5.820 0.306 1.00 1.44 H new ATOM 0 HD13 LEU A 94 6.576 6.511 -0.935 1.00 1.44 H new ATOM 0 HD21 LEU A 94 8.622 4.210 -0.862 1.00 1.87 H new ATOM 0 HD22 LEU A 94 9.073 5.932 -0.858 1.00 1.87 H new ATOM 0 HD23 LEU A 94 9.659 4.855 0.432 1.00 1.87 H new ATOM 1462 N ASP A 95 5.448 4.940 2.843 1.00 0.52 N ATOM 1463 CA ASP A 95 5.022 3.753 3.574 1.00 0.53 C ATOM 1464 C ASP A 95 4.235 2.812 2.666 1.00 0.46 C ATOM 1465 O ASP A 95 3.023 2.964 2.502 1.00 0.59 O ATOM 1466 CB ASP A 95 4.170 4.153 4.780 1.00 0.73 C ATOM 1467 CG ASP A 95 3.750 2.963 5.621 1.00 1.16 C ATOM 1468 OD1 ASP A 95 3.026 2.088 5.099 1.00 1.64 O ATOM 1469 OD2 ASP A 95 4.146 2.904 6.804 1.00 1.72 O ATOM 0 H ASP A 95 4.987 5.068 1.942 1.00 0.52 H new ATOM 0 HA ASP A 95 5.911 3.230 3.925 1.00 0.53 H new ATOM 0 HB2 ASP A 95 4.732 4.851 5.401 1.00 0.73 H new ATOM 0 HB3 ASP A 95 3.281 4.679 4.433 1.00 0.73 H new ATOM 1474 N LEU A 96 4.926 1.839 2.081 1.00 0.38 N ATOM 1475 CA LEU A 96 4.287 0.873 1.194 1.00 0.36 C ATOM 1476 C LEU A 96 4.514 -0.554 1.686 1.00 0.40 C ATOM 1477 O LEU A 96 5.650 -1.002 1.829 1.00 0.53 O ATOM 1478 CB LEU A 96 4.793 1.030 -0.246 1.00 0.43 C ATOM 1479 CG LEU A 96 6.290 0.786 -0.460 1.00 0.52 C ATOM 1480 CD1 LEU A 96 6.597 0.650 -1.944 1.00 0.97 C ATOM 1481 CD2 LEU A 96 7.111 1.916 0.142 1.00 0.89 C ATOM 0 H LEU A 96 5.929 1.698 2.205 1.00 0.38 H new ATOM 0 HA LEU A 96 3.215 1.072 1.204 1.00 0.36 H new ATOM 0 HB2 LEU A 96 4.238 0.341 -0.883 1.00 0.43 H new ATOM 0 HB3 LEU A 96 4.557 2.039 -0.586 1.00 0.43 H new ATOM 0 HG LEU A 96 6.559 -0.143 0.043 1.00 0.52 H new ATOM 0 HD11 LEU A 96 7.665 0.477 -2.080 1.00 0.97 H new ATOM 0 HD12 LEU A 96 6.038 -0.190 -2.356 1.00 0.97 H new ATOM 0 HD13 LEU A 96 6.309 1.566 -2.461 1.00 0.97 H new ATOM 0 HD21 LEU A 96 8.171 1.722 -0.021 1.00 0.89 H new ATOM 0 HD22 LEU A 96 6.837 2.858 -0.333 1.00 0.89 H new ATOM 0 HD23 LEU A 96 6.914 1.978 1.212 1.00 0.89 H new ATOM 1493 N ASP A 97 3.418 -1.263 1.954 1.00 0.38 N ATOM 1494 CA ASP A 97 3.492 -2.637 2.438 1.00 0.44 C ATOM 1495 C ASP A 97 2.394 -3.504 1.839 1.00 0.39 C ATOM 1496 O ASP A 97 1.345 -3.003 1.434 1.00 0.40 O ATOM 1497 CB ASP A 97 3.375 -2.667 3.961 1.00 0.55 C ATOM 1498 CG ASP A 97 4.580 -2.065 4.647 1.00 1.14 C ATOM 1499 OD1 ASP A 97 5.693 -2.608 4.482 1.00 1.93 O ATOM 1500 OD2 ASP A 97 4.412 -1.048 5.351 1.00 1.45 O ATOM 0 H ASP A 97 2.469 -0.906 1.843 1.00 0.38 H new ATOM 0 HA ASP A 97 4.457 -3.038 2.129 1.00 0.44 H new ATOM 0 HB2 ASP A 97 2.480 -2.124 4.264 1.00 0.55 H new ATOM 0 HB3 ASP A 97 3.250 -3.698 4.292 1.00 0.55 H new ATOM 1505 N ILE A 98 2.638 -4.815 1.802 1.00 0.39 N ATOM 1506 CA ILE A 98 1.667 -5.756 1.275 1.00 0.36 C ATOM 1507 C ILE A 98 0.325 -5.622 1.993 1.00 0.35 C ATOM 1508 O ILE A 98 0.267 -5.509 3.217 1.00 0.53 O ATOM 1509 CB ILE A 98 2.190 -7.210 1.374 1.00 0.36 C ATOM 1510 CG1 ILE A 98 2.711 -7.676 0.020 1.00 0.48 C ATOM 1511 CG2 ILE A 98 1.106 -8.159 1.877 1.00 0.44 C ATOM 1512 CD1 ILE A 98 1.702 -7.551 -1.103 1.00 1.20 C ATOM 0 H ILE A 98 3.503 -5.243 2.133 1.00 0.39 H new ATOM 0 HA ILE A 98 1.516 -5.518 0.222 1.00 0.36 H new ATOM 0 HB ILE A 98 3.007 -7.223 2.095 1.00 0.36 H new ATOM 0 HG12 ILE A 98 3.598 -7.097 -0.236 1.00 0.48 H new ATOM 0 HG13 ILE A 98 3.023 -8.717 0.101 1.00 0.48 H new ATOM 0 HG21 ILE A 98 1.507 -9.171 1.935 1.00 0.44 H new ATOM 0 HG22 ILE A 98 0.776 -7.843 2.866 1.00 0.44 H new ATOM 0 HG23 ILE A 98 0.260 -8.142 1.190 1.00 0.44 H new ATOM 0 HD11 ILE A 98 2.148 -7.902 -2.034 1.00 1.20 H new ATOM 0 HD12 ILE A 98 0.823 -8.153 -0.871 1.00 1.20 H new ATOM 0 HD13 ILE A 98 1.408 -6.507 -1.213 1.00 1.20 H new ATOM 1524 N MET A 99 -0.746 -5.630 1.209 1.00 0.32 N ATOM 1525 CA MET A 99 -2.099 -5.502 1.738 1.00 0.36 C ATOM 1526 C MET A 99 -2.981 -6.629 1.219 1.00 0.33 C ATOM 1527 O MET A 99 -3.948 -7.030 1.865 1.00 0.37 O ATOM 1528 CB MET A 99 -2.694 -4.165 1.306 1.00 0.43 C ATOM 1529 CG MET A 99 -1.872 -2.963 1.732 1.00 0.68 C ATOM 1530 SD MET A 99 -2.014 -1.589 0.574 1.00 1.56 S ATOM 1531 CE MET A 99 -3.790 -1.457 0.396 1.00 2.37 C ATOM 0 H MET A 99 -0.703 -5.725 0.194 1.00 0.32 H new ATOM 0 HA MET A 99 -2.053 -5.555 2.826 1.00 0.36 H new ATOM 0 HB2 MET A 99 -2.797 -4.157 0.221 1.00 0.43 H new ATOM 0 HB3 MET A 99 -3.697 -4.073 1.722 1.00 0.43 H new ATOM 0 HG2 MET A 99 -2.196 -2.637 2.720 1.00 0.68 H new ATOM 0 HG3 MET A 99 -0.825 -3.254 1.819 1.00 0.68 H new ATOM 0 HE1 MET A 99 -4.077 -0.406 0.383 1.00 2.37 H new ATOM 0 HE2 MET A 99 -4.098 -1.929 -0.537 1.00 2.37 H new ATOM 0 HE3 MET A 99 -4.278 -1.956 1.233 1.00 2.37 H new ATOM 1541 N LEU A 100 -2.644 -7.125 0.040 1.00 0.30 N ATOM 1542 CA LEU A 100 -3.409 -8.195 -0.584 1.00 0.30 C ATOM 1543 C LEU A 100 -2.551 -8.936 -1.598 1.00 0.31 C ATOM 1544 O LEU A 100 -2.472 -8.552 -2.764 1.00 0.58 O ATOM 1545 CB LEU A 100 -4.663 -7.617 -1.248 1.00 0.30 C ATOM 1546 CG LEU A 100 -5.978 -7.903 -0.520 1.00 0.37 C ATOM 1547 CD1 LEU A 100 -7.143 -7.258 -1.252 1.00 0.40 C ATOM 1548 CD2 LEU A 100 -6.200 -9.402 -0.382 1.00 0.43 C ATOM 0 H LEU A 100 -1.845 -6.804 -0.506 1.00 0.30 H new ATOM 0 HA LEU A 100 -3.718 -8.907 0.181 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -4.543 -6.537 -1.336 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -4.734 -8.014 -2.261 1.00 0.30 H new ATOM 0 HG LEU A 100 -5.917 -7.472 0.479 1.00 0.37 H new ATOM 0 HD11 LEU A 100 -8.070 -7.472 -0.720 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -6.992 -6.180 -1.298 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -7.204 -7.659 -2.264 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -7.140 -9.584 0.138 1.00 0.43 H new ATOM 0 HD22 LEU A 100 -6.239 -9.857 -1.372 1.00 0.43 H new ATOM 0 HD23 LEU A 100 -5.380 -9.840 0.187 1.00 0.43 H new ATOM 1560 N PHE A 101 -1.893 -9.991 -1.137 1.00 0.36 N ATOM 1561 CA PHE A 101 -1.021 -10.778 -1.992 1.00 0.36 C ATOM 1562 C PHE A 101 -1.692 -12.079 -2.417 1.00 0.38 C ATOM 1563 O PHE A 101 -1.464 -13.133 -1.822 1.00 0.88 O ATOM 1564 CB PHE A 101 0.291 -11.064 -1.258 1.00 0.46 C ATOM 1565 CG PHE A 101 1.523 -10.744 -2.056 1.00 0.70 C ATOM 1566 CD1 PHE A 101 1.450 -10.473 -3.414 1.00 1.13 C ATOM 1567 CD2 PHE A 101 2.756 -10.700 -1.437 1.00 1.10 C ATOM 1568 CE1 PHE A 101 2.585 -10.167 -4.138 1.00 1.59 C ATOM 1569 CE2 PHE A 101 3.896 -10.390 -2.154 1.00 1.59 C ATOM 1570 CZ PHE A 101 3.810 -10.123 -3.506 1.00 1.75 C ATOM 0 H PHE A 101 -1.948 -10.320 -0.173 1.00 0.36 H new ATOM 0 HA PHE A 101 -0.811 -10.207 -2.896 1.00 0.36 H new ATOM 0 HB2 PHE A 101 0.310 -10.488 -0.333 1.00 0.46 H new ATOM 0 HB3 PHE A 101 0.316 -12.117 -0.978 1.00 0.46 H new ATOM 0 HD1 PHE A 101 0.492 -10.502 -3.912 1.00 1.13 H new ATOM 0 HD2 PHE A 101 2.831 -10.910 -0.380 1.00 1.10 H new ATOM 0 HE1 PHE A 101 2.514 -9.963 -5.196 1.00 1.59 H new ATOM 0 HE2 PHE A 101 4.854 -10.357 -1.657 1.00 1.59 H new ATOM 0 HZ PHE A 101 4.700 -9.880 -4.067 1.00 1.75 H new ATOM 1580 N GLY A 102 -2.516 -11.992 -3.457 1.00 0.58 N ATOM 1581 CA GLY A 102 -3.211 -13.163 -3.957 1.00 0.60 C ATOM 1582 C GLY A 102 -4.014 -13.868 -2.883 1.00 0.73 C ATOM 1583 O GLY A 102 -5.031 -13.355 -2.420 1.00 1.49 O ATOM 0 H GLY A 102 -2.715 -11.129 -3.963 1.00 0.58 H new ATOM 0 HA2 GLY A 102 -3.877 -12.867 -4.768 1.00 0.60 H new ATOM 0 HA3 GLY A 102 -2.486 -13.859 -4.378 1.00 0.60 H new ATOM 1587 N ASN A 103 -3.554 -15.048 -2.490 1.00 0.56 N ATOM 1588 CA ASN A 103 -4.233 -15.835 -1.468 1.00 0.58 C ATOM 1589 C ASN A 103 -3.229 -16.446 -0.500 1.00 0.52 C ATOM 1590 O ASN A 103 -3.611 -17.112 0.464 1.00 0.67 O ATOM 1591 CB ASN A 103 -5.043 -16.953 -2.117 1.00 0.76 C ATOM 1592 CG ASN A 103 -4.154 -17.941 -2.843 1.00 0.85 C ATOM 1593 OD1 ASN A 103 -3.577 -17.625 -3.885 1.00 1.55 O ATOM 1594 ND2 ASN A 103 -4.016 -19.135 -2.283 1.00 0.90 N ATOM 0 H ASN A 103 -2.711 -15.483 -2.864 1.00 0.56 H new ATOM 0 HA ASN A 103 -4.899 -15.169 -0.918 1.00 0.58 H new ATOM 0 HB2 ASN A 103 -5.619 -17.475 -1.353 1.00 0.76 H new ATOM 0 HB3 ASN A 103 -5.759 -16.524 -2.818 1.00 0.76 H new ATOM 0 HD21 ASN A 103 -3.413 -19.835 -2.716 1.00 0.90 H new ATOM 0 HD22 ASN A 103 -4.513 -19.354 -1.420 1.00 0.90 H new ATOM 1601 N GLU A 104 -1.944 -16.236 -0.771 1.00 0.43 N ATOM 1602 CA GLU A 104 -0.894 -16.783 0.061 1.00 0.42 C ATOM 1603 C GLU A 104 -1.053 -16.358 1.505 1.00 0.42 C ATOM 1604 O GLU A 104 -1.793 -15.425 1.818 1.00 0.58 O ATOM 1605 CB GLU A 104 0.464 -16.359 -0.469 1.00 0.51 C ATOM 1606 CG GLU A 104 0.838 -14.910 -0.179 1.00 0.56 C ATOM 1607 CD GLU A 104 1.641 -14.756 1.097 1.00 1.57 C ATOM 1608 OE1 GLU A 104 1.853 -15.770 1.795 1.00 2.29 O ATOM 1609 OE2 GLU A 104 2.067 -13.621 1.396 1.00 2.14 O ATOM 0 H GLU A 104 -1.611 -15.688 -1.564 1.00 0.43 H new ATOM 0 HA GLU A 104 -0.968 -17.870 0.026 1.00 0.42 H new ATOM 0 HB2 GLU A 104 1.226 -17.009 -0.039 1.00 0.51 H new ATOM 0 HB3 GLU A 104 0.483 -16.516 -1.548 1.00 0.51 H new ATOM 0 HG2 GLU A 104 1.414 -14.514 -1.015 1.00 0.56 H new ATOM 0 HG3 GLU A 104 -0.071 -14.312 -0.106 1.00 0.56 H new ATOM 1616 N VAL A 105 -0.363 -17.069 2.373 1.00 0.50 N ATOM 1617 CA VAL A 105 -0.416 -16.812 3.797 1.00 0.56 C ATOM 1618 C VAL A 105 0.906 -17.202 4.454 1.00 0.61 C ATOM 1619 O VAL A 105 1.119 -18.364 4.804 1.00 0.72 O ATOM 1620 CB VAL A 105 -1.573 -17.608 4.421 1.00 0.66 C ATOM 1621 CG1 VAL A 105 -1.468 -17.647 5.940 1.00 0.80 C ATOM 1622 CG2 VAL A 105 -2.917 -17.028 3.997 1.00 0.67 C ATOM 0 H VAL A 105 0.250 -17.841 2.111 1.00 0.50 H new ATOM 0 HA VAL A 105 -0.583 -15.748 3.962 1.00 0.56 H new ATOM 0 HB VAL A 105 -1.503 -18.632 4.054 1.00 0.66 H new ATOM 0 HG11 VAL A 105 -2.302 -18.218 6.348 1.00 0.80 H new ATOM 0 HG12 VAL A 105 -0.529 -18.120 6.228 1.00 0.80 H new ATOM 0 HG13 VAL A 105 -1.497 -16.631 6.333 1.00 0.80 H new ATOM 0 HG21 VAL A 105 -3.722 -17.607 4.450 1.00 0.67 H new ATOM 0 HG22 VAL A 105 -2.986 -15.991 4.326 1.00 0.67 H new ATOM 0 HG23 VAL A 105 -3.006 -17.071 2.911 1.00 0.67 H new ATOM 1632 N ILE A 106 1.798 -16.229 4.599 1.00 0.58 N ATOM 1633 CA ILE A 106 3.105 -16.479 5.197 1.00 0.64 C ATOM 1634 C ILE A 106 3.482 -15.388 6.191 1.00 0.61 C ATOM 1635 O ILE A 106 3.320 -14.201 5.917 1.00 0.57 O ATOM 1636 CB ILE A 106 4.204 -16.569 4.118 1.00 0.74 C ATOM 1637 CG1 ILE A 106 3.893 -17.698 3.133 1.00 0.76 C ATOM 1638 CG2 ILE A 106 5.567 -16.777 4.765 1.00 1.31 C ATOM 1639 CD1 ILE A 106 4.871 -17.788 1.979 1.00 1.45 C ATOM 0 H ILE A 106 1.642 -15.263 4.312 1.00 0.58 H new ATOM 0 HA ILE A 106 3.032 -17.432 5.722 1.00 0.64 H new ATOM 0 HB ILE A 106 4.228 -15.630 3.565 1.00 0.74 H new ATOM 0 HG12 ILE A 106 3.891 -18.646 3.670 1.00 0.76 H new ATOM 0 HG13 ILE A 106 2.888 -17.555 2.736 1.00 0.76 H new ATOM 0 HG21 ILE A 106 6.332 -16.839 3.991 1.00 1.31 H new ATOM 0 HG22 ILE A 106 5.787 -15.939 5.427 1.00 1.31 H new ATOM 0 HG23 ILE A 106 5.559 -17.702 5.341 1.00 1.31 H new ATOM 0 HD11 ILE A 106 4.586 -18.611 1.324 1.00 1.45 H new ATOM 0 HD12 ILE A 106 4.857 -16.855 1.416 1.00 1.45 H new ATOM 0 HD13 ILE A 106 5.875 -17.963 2.366 1.00 1.45 H new ATOM 1651 N ASN A 107 4.003 -15.805 7.341 1.00 0.84 N ATOM 1652 CA ASN A 107 4.431 -14.875 8.379 1.00 0.90 C ATOM 1653 C ASN A 107 5.907 -15.094 8.692 1.00 0.91 C ATOM 1654 O ASN A 107 6.276 -16.091 9.314 1.00 1.02 O ATOM 1655 CB ASN A 107 3.606 -15.065 9.658 1.00 1.09 C ATOM 1656 CG ASN A 107 2.121 -14.766 9.486 1.00 1.00 C ATOM 1657 OD1 ASN A 107 1.340 -14.947 10.419 1.00 1.28 O ATOM 1658 ND2 ASN A 107 1.721 -14.300 8.308 1.00 1.21 N ATOM 0 H ASN A 107 4.139 -16.788 7.578 1.00 0.84 H new ATOM 0 HA ASN A 107 4.278 -13.860 8.012 1.00 0.90 H new ATOM 0 HB2 ASN A 107 3.722 -16.092 10.004 1.00 1.09 H new ATOM 0 HB3 ASN A 107 4.009 -14.419 10.438 1.00 1.09 H new ATOM 0 HD21 ASN A 107 0.737 -14.080 8.154 1.00 1.21 H new ATOM 0 HD22 ASN A 107 2.398 -14.163 7.557 1.00 1.21 H new ATOM 1665 N THR A 108 6.750 -14.165 8.254 1.00 0.86 N ATOM 1666 CA THR A 108 8.186 -14.277 8.494 1.00 0.89 C ATOM 1667 C THR A 108 8.662 -13.222 9.495 1.00 0.91 C ATOM 1668 O THR A 108 8.158 -13.156 10.616 1.00 1.16 O ATOM 1669 CB THR A 108 8.955 -14.156 7.175 1.00 0.90 C ATOM 1670 OG1 THR A 108 8.733 -12.893 6.577 1.00 1.07 O ATOM 1671 CG2 THR A 108 8.580 -15.217 6.163 1.00 0.92 C ATOM 0 H THR A 108 6.468 -13.333 7.736 1.00 0.86 H new ATOM 0 HA THR A 108 8.384 -15.258 8.925 1.00 0.89 H new ATOM 0 HB THR A 108 10.004 -14.286 7.441 1.00 0.90 H new ATOM 0 HG1 THR A 108 9.352 -12.773 5.827 1.00 1.07 H new ATOM 0 HG21 THR A 108 9.161 -15.073 5.252 1.00 0.92 H new ATOM 0 HG22 THR A 108 8.790 -16.204 6.576 1.00 0.92 H new ATOM 0 HG23 THR A 108 7.518 -15.139 5.931 1.00 0.92 H new ATOM 1679 N GLU A 109 9.629 -12.401 9.088 1.00 0.83 N ATOM 1680 CA GLU A 109 10.158 -11.358 9.960 1.00 0.86 C ATOM 1681 C GLU A 109 9.348 -10.078 9.817 1.00 0.73 C ATOM 1682 O GLU A 109 8.509 -9.764 10.662 1.00 0.87 O ATOM 1683 CB GLU A 109 11.629 -11.086 9.633 1.00 0.95 C ATOM 1684 CG GLU A 109 12.533 -12.297 9.813 1.00 1.22 C ATOM 1685 CD GLU A 109 12.603 -12.773 11.251 1.00 1.93 C ATOM 1686 OE1 GLU A 109 11.555 -13.174 11.799 1.00 2.37 O ATOM 1687 OE2 GLU A 109 13.709 -12.744 11.832 1.00 2.60 O ATOM 0 H GLU A 109 10.059 -12.439 8.164 1.00 0.83 H new ATOM 0 HA GLU A 109 10.083 -11.704 10.991 1.00 0.86 H new ATOM 0 HB2 GLU A 109 11.704 -10.738 8.603 1.00 0.95 H new ATOM 0 HB3 GLU A 109 11.989 -10.278 10.269 1.00 0.95 H new ATOM 0 HG2 GLU A 109 12.172 -13.110 9.184 1.00 1.22 H new ATOM 0 HG3 GLU A 109 13.537 -12.049 9.468 1.00 1.22 H new ATOM 1694 N ARG A 110 9.600 -9.345 8.739 1.00 0.63 N ATOM 1695 CA ARG A 110 8.888 -8.104 8.476 1.00 0.64 C ATOM 1696 C ARG A 110 7.721 -8.355 7.529 1.00 0.66 C ATOM 1697 O ARG A 110 6.749 -7.601 7.510 1.00 0.77 O ATOM 1698 CB ARG A 110 9.833 -7.065 7.865 1.00 0.63 C ATOM 1699 CG ARG A 110 11.051 -6.751 8.724 1.00 0.86 C ATOM 1700 CD ARG A 110 10.662 -6.077 10.030 1.00 1.64 C ATOM 1701 NE ARG A 110 11.825 -5.778 10.862 1.00 2.22 N ATOM 1702 CZ ARG A 110 11.755 -5.150 12.031 1.00 2.77 C ATOM 1703 NH1 ARG A 110 10.583 -4.743 12.500 1.00 3.01 N ATOM 1704 NH2 ARG A 110 12.859 -4.920 12.730 1.00 3.68 N ATOM 0 H ARG A 110 10.294 -9.591 8.033 1.00 0.63 H new ATOM 0 HA ARG A 110 8.504 -7.722 9.422 1.00 0.64 H new ATOM 0 HB2 ARG A 110 10.170 -7.424 6.893 1.00 0.63 H new ATOM 0 HB3 ARG A 110 9.278 -6.143 7.690 1.00 0.63 H new ATOM 0 HG2 ARG A 110 11.592 -7.673 8.938 1.00 0.86 H new ATOM 0 HG3 ARG A 110 11.730 -6.104 8.169 1.00 0.86 H new ATOM 0 HD2 ARG A 110 10.124 -5.154 9.815 1.00 1.64 H new ATOM 0 HD3 ARG A 110 9.979 -6.723 10.581 1.00 1.64 H new ATOM 0 HE ARG A 110 12.744 -6.068 10.526 1.00 2.22 H new ATOM 0 HH11 ARG A 110 9.732 -4.912 11.963 1.00 3.01 H new ATOM 0 HH12 ARG A 110 10.532 -4.261 13.398 1.00 3.01 H new ATOM 0 HH21 ARG A 110 13.763 -5.225 12.370 1.00 3.68 H new ATOM 0 HH22 ARG A 110 12.803 -4.438 13.627 1.00 3.68 H new ATOM 1718 N LEU A 111 7.833 -9.418 6.735 1.00 0.62 N ATOM 1719 CA LEU A 111 6.795 -9.766 5.775 1.00 0.63 C ATOM 1720 C LEU A 111 5.484 -10.116 6.462 1.00 0.56 C ATOM 1721 O LEU A 111 5.446 -10.901 7.410 1.00 0.66 O ATOM 1722 CB LEU A 111 7.253 -10.926 4.871 1.00 0.73 C ATOM 1723 CG LEU A 111 6.201 -11.477 3.897 1.00 0.94 C ATOM 1724 CD1 LEU A 111 5.184 -12.360 4.607 1.00 1.15 C ATOM 1725 CD2 LEU A 111 5.503 -10.345 3.157 1.00 1.64 C ATOM 0 H LEU A 111 8.633 -10.051 6.740 1.00 0.62 H new ATOM 0 HA LEU A 111 6.620 -8.886 5.156 1.00 0.63 H new ATOM 0 HB2 LEU A 111 8.114 -10.591 4.293 1.00 0.73 H new ATOM 0 HB3 LEU A 111 7.594 -11.743 5.507 1.00 0.73 H new ATOM 0 HG LEU A 111 6.725 -12.096 3.169 1.00 0.94 H new ATOM 0 HD11 LEU A 111 4.457 -12.731 3.885 1.00 1.15 H new ATOM 0 HD12 LEU A 111 5.696 -13.203 5.072 1.00 1.15 H new ATOM 0 HD13 LEU A 111 4.671 -11.780 5.374 1.00 1.15 H new ATOM 0 HD21 LEU A 111 4.762 -10.760 2.473 1.00 1.64 H new ATOM 0 HD22 LEU A 111 5.008 -9.692 3.875 1.00 1.64 H new ATOM 0 HD23 LEU A 111 6.238 -9.772 2.592 1.00 1.64 H new ATOM 1737 N THR A 112 4.407 -9.538 5.946 1.00 0.46 N ATOM 1738 CA THR A 112 3.068 -9.779 6.455 1.00 0.42 C ATOM 1739 C THR A 112 2.079 -9.850 5.303 1.00 0.39 C ATOM 1740 O THR A 112 2.136 -9.040 4.380 1.00 0.43 O ATOM 1741 CB THR A 112 2.641 -8.673 7.419 1.00 0.45 C ATOM 1742 OG1 THR A 112 3.164 -7.420 7.013 1.00 0.65 O ATOM 1743 CG2 THR A 112 3.053 -8.913 8.855 1.00 0.68 C ATOM 0 H THR A 112 4.440 -8.888 5.161 1.00 0.46 H new ATOM 0 HA THR A 112 3.077 -10.727 6.992 1.00 0.42 H new ATOM 0 HB THR A 112 1.552 -8.675 7.382 1.00 0.45 H new ATOM 0 HG1 THR A 112 2.877 -6.726 7.643 1.00 0.65 H new ATOM 0 HG21 THR A 112 2.713 -8.083 9.475 1.00 0.68 H new ATOM 0 HG22 THR A 112 2.605 -9.840 9.212 1.00 0.68 H new ATOM 0 HG23 THR A 112 4.139 -8.988 8.914 1.00 0.68 H new ATOM 1751 N VAL A 113 1.159 -10.801 5.372 1.00 0.36 N ATOM 1752 CA VAL A 113 0.140 -10.949 4.343 1.00 0.38 C ATOM 1753 C VAL A 113 -1.017 -10.006 4.717 1.00 0.32 C ATOM 1754 O VAL A 113 -0.943 -9.398 5.784 1.00 0.30 O ATOM 1755 CB VAL A 113 -0.314 -12.433 4.252 1.00 0.45 C ATOM 1756 CG1 VAL A 113 -1.638 -12.663 4.959 1.00 1.52 C ATOM 1757 CG2 VAL A 113 -0.375 -12.904 2.806 1.00 1.18 C ATOM 0 H VAL A 113 1.097 -11.481 6.129 1.00 0.36 H new ATOM 0 HA VAL A 113 0.521 -10.683 3.357 1.00 0.38 H new ATOM 0 HB VAL A 113 0.437 -13.031 4.768 1.00 0.45 H new ATOM 0 HG11 VAL A 113 -1.920 -13.712 4.872 1.00 1.52 H new ATOM 0 HG12 VAL A 113 -1.539 -12.400 6.012 1.00 1.52 H new ATOM 0 HG13 VAL A 113 -2.408 -12.042 4.501 1.00 1.52 H new ATOM 0 HG21 VAL A 113 -0.696 -13.945 2.776 1.00 1.18 H new ATOM 0 HG22 VAL A 113 -1.085 -12.289 2.253 1.00 1.18 H new ATOM 0 HG23 VAL A 113 0.612 -12.815 2.352 1.00 1.18 H new ATOM 1767 N PRO A 114 -2.087 -9.833 3.886 1.00 0.35 N ATOM 1768 CA PRO A 114 -3.195 -8.938 4.209 1.00 0.36 C ATOM 1769 C PRO A 114 -3.310 -8.672 5.705 1.00 0.33 C ATOM 1770 O PRO A 114 -3.798 -9.509 6.466 1.00 0.35 O ATOM 1771 CB PRO A 114 -4.387 -9.720 3.667 1.00 0.43 C ATOM 1772 CG PRO A 114 -3.847 -10.464 2.477 1.00 0.46 C ATOM 1773 CD PRO A 114 -2.332 -10.467 2.586 1.00 0.42 C ATOM 0 HA PRO A 114 -3.092 -7.940 3.784 1.00 0.36 H new ATOM 0 HB2 PRO A 114 -4.784 -10.406 4.416 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -5.201 -9.054 3.381 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -4.231 -11.484 2.456 1.00 0.46 H new ATOM 0 HG3 PRO A 114 -4.163 -9.985 1.550 1.00 0.46 H new ATOM 0 HD2 PRO A 114 -1.928 -11.479 2.549 1.00 0.42 H new ATOM 0 HD3 PRO A 114 -1.869 -9.909 1.772 1.00 0.42 H new ATOM 1781 N HIS A 115 -2.816 -7.506 6.118 1.00 0.33 N ATOM 1782 CA HIS A 115 -2.811 -7.115 7.513 1.00 0.33 C ATOM 1783 C HIS A 115 -4.212 -6.785 7.991 1.00 0.34 C ATOM 1784 O HIS A 115 -4.802 -5.802 7.548 1.00 0.46 O ATOM 1785 CB HIS A 115 -1.905 -5.896 7.695 1.00 0.39 C ATOM 1786 CG HIS A 115 -1.421 -5.693 9.095 1.00 0.44 C ATOM 1787 ND1 HIS A 115 -2.256 -5.684 10.193 1.00 0.97 N ATOM 1788 CD2 HIS A 115 -0.171 -5.479 9.571 1.00 0.76 C ATOM 1789 CE1 HIS A 115 -1.541 -5.473 11.284 1.00 0.87 C ATOM 1790 NE2 HIS A 115 -0.274 -5.347 10.934 1.00 0.67 N ATOM 0 H HIS A 115 -2.410 -6.812 5.490 1.00 0.33 H new ATOM 0 HA HIS A 115 -2.436 -7.949 8.105 1.00 0.33 H new ATOM 0 HB2 HIS A 115 -1.043 -5.997 7.036 1.00 0.39 H new ATOM 0 HB3 HIS A 115 -2.446 -5.005 7.377 1.00 0.39 H new ATOM 0 HD2 HIS A 115 0.736 -5.423 8.988 1.00 0.76 H new ATOM 0 HE1 HIS A 115 -1.927 -5.414 12.291 1.00 0.87 H new ATOM 0 HE2 HIS A 115 0.503 -5.179 11.573 1.00 0.67 H new ATOM 1799 N TYR A 116 -4.725 -7.599 8.906 1.00 0.34 N ATOM 1800 CA TYR A 116 -6.053 -7.373 9.462 1.00 0.42 C ATOM 1801 C TYR A 116 -6.171 -5.926 9.930 1.00 0.43 C ATOM 1802 O TYR A 116 -5.810 -5.595 11.061 1.00 0.49 O ATOM 1803 CB TYR A 116 -6.325 -8.342 10.623 1.00 0.52 C ATOM 1804 CG TYR A 116 -5.076 -8.889 11.294 1.00 0.70 C ATOM 1805 CD1 TYR A 116 -4.055 -8.032 11.688 1.00 1.13 C ATOM 1806 CD2 TYR A 116 -4.915 -10.252 11.535 1.00 0.89 C ATOM 1807 CE1 TYR A 116 -2.915 -8.512 12.300 1.00 1.64 C ATOM 1808 CE2 TYR A 116 -3.776 -10.737 12.149 1.00 1.31 C ATOM 1809 CZ TYR A 116 -2.801 -9.923 12.521 1.00 1.68 C ATOM 1810 OH TYR A 116 -1.643 -10.344 13.141 1.00 2.22 O ATOM 0 H TYR A 116 -4.244 -8.418 9.277 1.00 0.34 H new ATOM 0 HA TYR A 116 -6.799 -7.558 8.689 1.00 0.42 H new ATOM 0 HB2 TYR A 116 -6.930 -7.831 11.372 1.00 0.52 H new ATOM 0 HB3 TYR A 116 -6.918 -9.178 10.251 1.00 0.52 H new ATOM 0 HD1 TYR A 116 -4.156 -6.971 11.512 1.00 1.13 H new ATOM 0 HD2 TYR A 116 -5.692 -10.940 11.237 1.00 0.89 H new ATOM 0 HE1 TYR A 116 -2.127 -7.840 12.605 1.00 1.64 H new ATOM 0 HE2 TYR A 116 -3.680 -11.798 12.328 1.00 1.31 H new ATOM 0 HH TYR A 116 -1.664 -11.318 13.246 1.00 2.22 H new ATOM 1820 N ASP A 117 -6.640 -5.064 9.030 1.00 0.42 N ATOM 1821 CA ASP A 117 -6.763 -3.643 9.321 1.00 0.50 C ATOM 1822 C ASP A 117 -7.391 -2.908 8.138 1.00 0.52 C ATOM 1823 O ASP A 117 -8.337 -2.137 8.291 1.00 0.73 O ATOM 1824 CB ASP A 117 -5.369 -3.071 9.571 1.00 0.52 C ATOM 1825 CG ASP A 117 -5.401 -1.751 10.321 1.00 0.67 C ATOM 1826 OD1 ASP A 117 -6.509 -1.279 10.650 1.00 1.07 O ATOM 1827 OD2 ASP A 117 -4.316 -1.189 10.577 1.00 0.87 O ATOM 0 H ASP A 117 -6.941 -5.329 8.092 1.00 0.42 H new ATOM 0 HA ASP A 117 -7.397 -3.513 10.198 1.00 0.50 H new ATOM 0 HB2 ASP A 117 -4.782 -3.792 10.139 1.00 0.52 H new ATOM 0 HB3 ASP A 117 -4.863 -2.929 8.616 1.00 0.52 H new ATOM 1832 N MET A 118 -6.826 -3.164 6.964 1.00 0.38 N ATOM 1833 CA MET A 118 -7.263 -2.558 5.708 1.00 0.39 C ATOM 1834 C MET A 118 -8.778 -2.569 5.546 1.00 0.38 C ATOM 1835 O MET A 118 -9.380 -1.591 5.112 1.00 0.45 O ATOM 1836 CB MET A 118 -6.633 -3.342 4.564 1.00 0.44 C ATOM 1837 CG MET A 118 -6.974 -4.820 4.596 1.00 0.48 C ATOM 1838 SD MET A 118 -5.886 -5.799 3.550 1.00 1.29 S ATOM 1839 CE MET A 118 -4.311 -5.465 4.331 1.00 2.05 C ATOM 0 H MET A 118 -6.041 -3.806 6.854 1.00 0.38 H new ATOM 0 HA MET A 118 -6.949 -1.514 5.706 1.00 0.39 H new ATOM 0 HB2 MET A 118 -6.965 -2.919 3.616 1.00 0.44 H new ATOM 0 HB3 MET A 118 -5.550 -3.224 4.604 1.00 0.44 H new ATOM 0 HG2 MET A 118 -6.910 -5.183 5.622 1.00 0.48 H new ATOM 0 HG3 MET A 118 -8.006 -4.959 4.273 1.00 0.48 H new ATOM 0 HE1 MET A 118 -3.623 -6.285 4.128 1.00 2.05 H new ATOM 0 HE2 MET A 118 -3.898 -4.538 3.934 1.00 2.05 H new ATOM 0 HE3 MET A 118 -4.452 -5.368 5.407 1.00 2.05 H new ATOM 1849 N LYS A 119 -9.370 -3.694 5.890 1.00 0.40 N ATOM 1850 CA LYS A 119 -10.812 -3.886 5.789 1.00 0.47 C ATOM 1851 C LYS A 119 -11.545 -2.884 6.667 1.00 0.50 C ATOM 1852 O LYS A 119 -12.500 -2.241 6.230 1.00 0.80 O ATOM 1853 CB LYS A 119 -11.157 -5.319 6.175 1.00 0.57 C ATOM 1854 CG LYS A 119 -10.406 -5.799 7.404 1.00 0.69 C ATOM 1855 CD LYS A 119 -10.719 -7.252 7.728 1.00 0.80 C ATOM 1856 CE LYS A 119 -10.248 -8.189 6.625 1.00 1.02 C ATOM 1857 NZ LYS A 119 -8.775 -8.100 6.411 1.00 1.93 N ATOM 0 H LYS A 119 -8.868 -4.506 6.249 1.00 0.40 H new ATOM 0 HA LYS A 119 -11.132 -3.715 4.761 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -12.229 -5.392 6.359 1.00 0.57 H new ATOM 0 HB3 LYS A 119 -10.932 -5.979 5.337 1.00 0.57 H new ATOM 0 HG2 LYS A 119 -9.334 -5.686 7.242 1.00 0.69 H new ATOM 0 HG3 LYS A 119 -10.667 -5.172 8.257 1.00 0.69 H new ATOM 0 HD2 LYS A 119 -10.240 -7.527 8.668 1.00 0.80 H new ATOM 0 HD3 LYS A 119 -11.793 -7.370 7.871 1.00 0.80 H new ATOM 0 HE2 LYS A 119 -10.516 -9.214 6.880 1.00 1.02 H new ATOM 0 HE3 LYS A 119 -10.765 -7.946 5.697 1.00 1.02 H new ATOM 0 HZ1 LYS A 119 -8.378 -9.058 6.328 1.00 1.93 H new ATOM 0 HZ2 LYS A 119 -8.583 -7.568 5.538 1.00 1.93 H new ATOM 0 HZ3 LYS A 119 -8.336 -7.612 7.218 1.00 1.93 H new ATOM 1871 N ASN A 120 -11.057 -2.717 7.886 1.00 0.49 N ATOM 1872 CA ASN A 120 -11.624 -1.748 8.809 1.00 0.52 C ATOM 1873 C ASN A 120 -10.982 -0.408 8.494 1.00 0.56 C ATOM 1874 O ASN A 120 -10.591 0.344 9.388 1.00 0.74 O ATOM 1875 CB ASN A 120 -11.312 -2.145 10.253 1.00 0.53 C ATOM 1876 CG ASN A 120 -11.243 -3.645 10.437 1.00 1.17 C ATOM 1877 OD1 ASN A 120 -12.212 -4.363 10.195 1.00 2.11 O ATOM 1878 ND2 ASN A 120 -10.083 -4.114 10.874 1.00 1.30 N ATOM 0 H ASN A 120 -10.267 -3.242 8.260 1.00 0.49 H new ATOM 0 HA ASN A 120 -12.708 -1.701 8.701 1.00 0.52 H new ATOM 0 HB2 ASN A 120 -10.362 -1.701 10.552 1.00 0.53 H new ATOM 0 HB3 ASN A 120 -12.077 -1.736 10.913 1.00 0.53 H new ATOM 0 HD21 ASN A 120 -9.962 -5.115 11.025 1.00 1.30 H new ATOM 0 HD22 ASN A 120 -9.311 -3.473 11.059 1.00 1.30 H new ATOM 1885 N ARG A 121 -10.809 -0.163 7.198 1.00 0.49 N ATOM 1886 CA ARG A 121 -10.139 1.024 6.718 1.00 0.58 C ATOM 1887 C ARG A 121 -10.483 1.297 5.247 1.00 0.63 C ATOM 1888 O ARG A 121 -10.829 0.380 4.503 1.00 1.07 O ATOM 1889 CB ARG A 121 -8.639 0.786 6.895 1.00 0.64 C ATOM 1890 CG ARG A 121 -7.753 1.679 6.070 1.00 0.91 C ATOM 1891 CD ARG A 121 -7.860 3.129 6.516 1.00 1.24 C ATOM 1892 NE ARG A 121 -7.461 3.307 7.910 1.00 1.84 N ATOM 1893 CZ ARG A 121 -7.527 4.470 8.552 1.00 2.55 C ATOM 1894 NH1 ARG A 121 -7.971 5.553 7.925 1.00 2.86 N ATOM 1895 NH2 ARG A 121 -7.151 4.551 9.819 1.00 3.50 N ATOM 0 H ARG A 121 -11.132 -0.786 6.458 1.00 0.49 H new ATOM 0 HA ARG A 121 -10.461 1.902 7.278 1.00 0.58 H new ATOM 0 HB2 ARG A 121 -8.387 0.920 7.947 1.00 0.64 H new ATOM 0 HB3 ARG A 121 -8.419 -0.252 6.644 1.00 0.64 H new ATOM 0 HG2 ARG A 121 -6.718 1.346 6.154 1.00 0.91 H new ATOM 0 HG3 ARG A 121 -8.030 1.598 5.019 1.00 0.91 H new ATOM 0 HD2 ARG A 121 -7.233 3.751 5.878 1.00 1.24 H new ATOM 0 HD3 ARG A 121 -8.886 3.473 6.387 1.00 1.24 H new ATOM 0 HE ARG A 121 -7.113 2.495 8.419 1.00 1.84 H new ATOM 0 HH11 ARG A 121 -8.262 5.494 6.949 1.00 2.86 H new ATOM 0 HH12 ARG A 121 -8.021 6.444 8.419 1.00 2.86 H new ATOM 0 HH21 ARG A 121 -6.810 3.721 10.304 1.00 3.50 H new ATOM 0 HH22 ARG A 121 -7.202 5.444 10.310 1.00 3.50 H new ATOM 1909 N GLY A 122 -10.378 2.559 4.836 1.00 0.62 N ATOM 1910 CA GLY A 122 -10.673 2.925 3.456 1.00 0.61 C ATOM 1911 C GLY A 122 -9.422 3.277 2.680 1.00 0.56 C ATOM 1912 O GLY A 122 -9.452 3.380 1.455 1.00 0.70 O ATOM 0 H GLY A 122 -10.094 3.336 5.432 1.00 0.62 H new ATOM 0 HA2 GLY A 122 -11.184 2.098 2.963 1.00 0.61 H new ATOM 0 HA3 GLY A 122 -11.357 3.774 3.445 1.00 0.61 H new ATOM 1916 N PHE A 123 -8.320 3.445 3.400 1.00 0.52 N ATOM 1917 CA PHE A 123 -7.042 3.776 2.787 1.00 0.58 C ATOM 1918 C PHE A 123 -6.538 2.604 1.960 1.00 0.42 C ATOM 1919 O PHE A 123 -5.904 2.785 0.923 1.00 0.43 O ATOM 1920 CB PHE A 123 -6.027 4.160 3.868 1.00 0.84 C ATOM 1921 CG PHE A 123 -4.602 4.259 3.387 1.00 1.19 C ATOM 1922 CD1 PHE A 123 -4.311 4.896 2.192 1.00 2.11 C ATOM 1923 CD2 PHE A 123 -3.559 3.718 4.125 1.00 1.62 C ATOM 1924 CE1 PHE A 123 -3.008 4.994 1.742 1.00 3.16 C ATOM 1925 CE2 PHE A 123 -2.256 3.811 3.678 1.00 2.59 C ATOM 1926 CZ PHE A 123 -1.968 4.433 2.517 1.00 3.31 C ATOM 0 H PHE A 123 -8.287 3.357 4.416 1.00 0.52 H new ATOM 0 HA PHE A 123 -7.175 4.629 2.122 1.00 0.58 H new ATOM 0 HB2 PHE A 123 -6.319 5.119 4.297 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -6.075 3.424 4.670 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -5.112 5.321 1.605 1.00 2.11 H new ATOM 0 HD2 PHE A 123 -3.769 3.219 5.059 1.00 1.62 H new ATOM 0 HE1 PHE A 123 -2.787 5.493 0.810 1.00 3.16 H new ATOM 0 HE2 PHE A 123 -1.458 3.381 4.265 1.00 2.59 H new ATOM 0 HZ PHE A 123 -0.944 4.502 2.180 1.00 3.31 H new ATOM 1936 N MET A 124 -6.829 1.400 2.425 1.00 0.37 N ATOM 1937 CA MET A 124 -6.411 0.198 1.720 1.00 0.38 C ATOM 1938 C MET A 124 -7.451 -0.253 0.694 1.00 0.38 C ATOM 1939 O MET A 124 -7.174 -0.320 -0.501 1.00 0.57 O ATOM 1940 CB MET A 124 -6.138 -0.931 2.711 1.00 0.50 C ATOM 1941 CG MET A 124 -4.880 -0.729 3.545 1.00 0.90 C ATOM 1942 SD MET A 124 -4.970 0.705 4.630 1.00 1.99 S ATOM 1943 CE MET A 124 -3.411 0.566 5.502 1.00 2.44 C ATOM 0 H MET A 124 -7.351 1.229 3.284 1.00 0.37 H new ATOM 0 HA MET A 124 -5.494 0.440 1.182 1.00 0.38 H new ATOM 0 HB2 MET A 124 -6.993 -1.029 3.379 1.00 0.50 H new ATOM 0 HB3 MET A 124 -6.052 -1.869 2.163 1.00 0.50 H new ATOM 0 HG2 MET A 124 -4.704 -1.621 4.146 1.00 0.90 H new ATOM 0 HG3 MET A 124 -4.024 -0.619 2.879 1.00 0.90 H new ATOM 0 HE1 MET A 124 -3.318 1.386 6.214 1.00 2.44 H new ATOM 0 HE2 MET A 124 -3.376 -0.384 6.036 1.00 2.44 H new ATOM 0 HE3 MET A 124 -2.589 0.611 4.787 1.00 2.44 H new ATOM 1953 N LEU A 125 -8.633 -0.591 1.189 1.00 0.37 N ATOM 1954 CA LEU A 125 -9.734 -1.081 0.356 1.00 0.41 C ATOM 1955 C LEU A 125 -10.044 -0.195 -0.850 1.00 0.34 C ATOM 1956 O LEU A 125 -9.941 -0.636 -1.993 1.00 0.40 O ATOM 1957 CB LEU A 125 -11.001 -1.206 1.205 1.00 0.53 C ATOM 1958 CG LEU A 125 -10.923 -2.175 2.385 1.00 0.61 C ATOM 1959 CD1 LEU A 125 -12.227 -2.157 3.166 1.00 0.85 C ATOM 1960 CD2 LEU A 125 -10.606 -3.584 1.907 1.00 0.76 C ATOM 0 H LEU A 125 -8.861 -0.535 2.182 1.00 0.37 H new ATOM 0 HA LEU A 125 -9.410 -2.047 -0.032 1.00 0.41 H new ATOM 0 HB2 LEU A 125 -11.257 -0.218 1.588 1.00 0.53 H new ATOM 0 HB3 LEU A 125 -11.820 -1.519 0.557 1.00 0.53 H new ATOM 0 HG LEU A 125 -10.117 -1.852 3.044 1.00 0.61 H new ATOM 0 HD11 LEU A 125 -12.159 -2.851 4.004 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -12.412 -1.151 3.542 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -13.047 -2.456 2.513 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -10.555 -4.256 2.764 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -11.388 -3.922 1.226 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -9.648 -3.585 1.388 1.00 0.76 H new ATOM 1972 N TRP A 126 -10.491 1.027 -0.582 1.00 0.31 N ATOM 1973 CA TRP A 126 -10.897 1.956 -1.638 1.00 0.32 C ATOM 1974 C TRP A 126 -9.882 2.054 -2.791 1.00 0.29 C ATOM 1975 O TRP A 126 -10.235 1.778 -3.936 1.00 0.31 O ATOM 1976 CB TRP A 126 -11.175 3.331 -1.032 1.00 0.38 C ATOM 1977 CG TRP A 126 -11.599 4.356 -2.032 1.00 0.46 C ATOM 1978 CD1 TRP A 126 -11.095 5.612 -2.160 1.00 0.46 C ATOM 1979 CD2 TRP A 126 -12.617 4.226 -3.037 1.00 0.93 C ATOM 1980 NE1 TRP A 126 -11.733 6.277 -3.180 1.00 0.54 N ATOM 1981 CE2 TRP A 126 -12.667 5.445 -3.738 1.00 0.94 C ATOM 1982 CE3 TRP A 126 -13.482 3.195 -3.413 1.00 1.45 C ATOM 1983 CZ2 TRP A 126 -13.552 5.663 -4.789 1.00 1.42 C ATOM 1984 CZ3 TRP A 126 -14.362 3.414 -4.459 1.00 1.96 C ATOM 1985 CH2 TRP A 126 -14.388 4.640 -5.137 1.00 1.93 C ATOM 0 H TRP A 126 -10.583 1.402 0.362 1.00 0.31 H new ATOM 0 HA TRP A 126 -11.809 1.559 -2.084 1.00 0.32 H new ATOM 0 HB2 TRP A 126 -11.952 3.233 -0.274 1.00 0.38 H new ATOM 0 HB3 TRP A 126 -10.277 3.682 -0.524 1.00 0.38 H new ATOM 0 HD1 TRP A 126 -10.307 6.027 -1.549 1.00 0.46 H new ATOM 0 HE1 TRP A 126 -11.542 7.235 -3.474 1.00 0.54 H new ATOM 0 HE3 TRP A 126 -13.464 2.246 -2.898 1.00 1.45 H new ATOM 0 HZ2 TRP A 126 -13.577 6.608 -5.312 1.00 1.42 H new ATOM 0 HZ3 TRP A 126 -15.039 2.627 -4.757 1.00 1.96 H new ATOM 0 HH2 TRP A 126 -15.083 4.779 -5.952 1.00 1.93 H new ATOM 1996 N PRO A 127 -8.619 2.461 -2.536 1.00 0.28 N ATOM 1997 CA PRO A 127 -7.608 2.589 -3.601 1.00 0.29 C ATOM 1998 C PRO A 127 -7.290 1.259 -4.283 1.00 0.28 C ATOM 1999 O PRO A 127 -7.153 1.196 -5.504 1.00 0.31 O ATOM 2000 CB PRO A 127 -6.372 3.121 -2.868 1.00 0.30 C ATOM 2001 CG PRO A 127 -6.906 3.718 -1.615 1.00 0.31 C ATOM 2002 CD PRO A 127 -8.068 2.849 -1.225 1.00 0.29 C ATOM 0 HA PRO A 127 -7.958 3.238 -4.404 1.00 0.29 H new ATOM 0 HB2 PRO A 127 -5.663 2.321 -2.655 1.00 0.30 H new ATOM 0 HB3 PRO A 127 -5.845 3.863 -3.467 1.00 0.30 H new ATOM 0 HG2 PRO A 127 -6.147 3.734 -0.833 1.00 0.31 H new ATOM 0 HG3 PRO A 127 -7.222 4.749 -1.774 1.00 0.31 H new ATOM 0 HD2 PRO A 127 -7.752 1.983 -0.644 1.00 0.29 H new ATOM 0 HD3 PRO A 127 -8.796 3.390 -0.621 1.00 0.29 H new ATOM 2010 N LEU A 128 -7.179 0.204 -3.486 1.00 0.25 N ATOM 2011 CA LEU A 128 -6.879 -1.129 -4.003 1.00 0.26 C ATOM 2012 C LEU A 128 -8.032 -1.631 -4.861 1.00 0.27 C ATOM 2013 O LEU A 128 -7.854 -2.451 -5.761 1.00 0.29 O ATOM 2014 CB LEU A 128 -6.672 -2.083 -2.830 1.00 0.26 C ATOM 2015 CG LEU A 128 -5.515 -3.063 -2.939 1.00 0.29 C ATOM 2016 CD1 LEU A 128 -4.195 -2.330 -3.097 1.00 0.30 C ATOM 2017 CD2 LEU A 128 -5.494 -3.949 -1.703 1.00 0.44 C ATOM 0 H LEU A 128 -7.293 0.244 -2.473 1.00 0.25 H new ATOM 0 HA LEU A 128 -5.977 -1.083 -4.613 1.00 0.26 H new ATOM 0 HB2 LEU A 128 -6.528 -1.487 -1.929 1.00 0.26 H new ATOM 0 HB3 LEU A 128 -7.590 -2.655 -2.691 1.00 0.26 H new ATOM 0 HG LEU A 128 -5.654 -3.682 -3.825 1.00 0.29 H new ATOM 0 HD11 LEU A 128 -3.384 -3.054 -3.173 1.00 0.30 H new ATOM 0 HD12 LEU A 128 -4.223 -1.721 -4.000 1.00 0.30 H new ATOM 0 HD13 LEU A 128 -4.029 -1.688 -2.232 1.00 0.30 H new ATOM 0 HD21 LEU A 128 -4.666 -4.654 -1.775 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -5.368 -3.331 -0.814 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -6.433 -4.498 -1.633 1.00 0.44 H new ATOM 2029 N PHE A 129 -9.215 -1.125 -4.558 1.00 0.28 N ATOM 2030 CA PHE A 129 -10.432 -1.500 -5.274 1.00 0.30 C ATOM 2031 C PHE A 129 -10.315 -1.119 -6.751 1.00 0.30 C ATOM 2032 O PHE A 129 -11.110 -1.546 -7.582 1.00 0.32 O ATOM 2033 CB PHE A 129 -11.636 -0.790 -4.645 1.00 0.36 C ATOM 2034 CG PHE A 129 -12.955 -1.127 -5.283 1.00 0.42 C ATOM 2035 CD1 PHE A 129 -13.462 -2.414 -5.218 1.00 0.47 C ATOM 2036 CD2 PHE A 129 -13.686 -0.157 -5.949 1.00 0.48 C ATOM 2037 CE1 PHE A 129 -14.676 -2.728 -5.804 1.00 0.55 C ATOM 2038 CE2 PHE A 129 -14.898 -0.463 -6.536 1.00 0.56 C ATOM 2039 CZ PHE A 129 -15.396 -1.747 -6.461 1.00 0.58 C ATOM 0 H PHE A 129 -9.364 -0.445 -3.812 1.00 0.28 H new ATOM 0 HA PHE A 129 -10.570 -2.579 -5.202 1.00 0.30 H new ATOM 0 HB2 PHE A 129 -11.682 -1.046 -3.586 1.00 0.36 H new ATOM 0 HB3 PHE A 129 -11.481 0.287 -4.706 1.00 0.36 H new ATOM 0 HD1 PHE A 129 -12.903 -3.182 -4.704 1.00 0.47 H new ATOM 0 HD2 PHE A 129 -13.303 0.851 -6.010 1.00 0.48 H new ATOM 0 HE1 PHE A 129 -15.060 -3.736 -5.748 1.00 0.55 H new ATOM 0 HE2 PHE A 129 -15.456 0.303 -7.054 1.00 0.56 H new ATOM 0 HZ PHE A 129 -16.347 -1.986 -6.915 1.00 0.58 H new ATOM 2049 N GLU A 130 -9.326 -0.287 -7.059 1.00 0.29 N ATOM 2050 CA GLU A 130 -9.104 0.177 -8.422 1.00 0.31 C ATOM 2051 C GLU A 130 -7.897 -0.503 -9.062 1.00 0.29 C ATOM 2052 O GLU A 130 -7.845 -0.664 -10.281 1.00 0.32 O ATOM 2053 CB GLU A 130 -8.914 1.693 -8.436 1.00 0.36 C ATOM 2054 CG GLU A 130 -8.750 2.277 -9.831 1.00 0.93 C ATOM 2055 CD GLU A 130 -9.954 2.015 -10.718 1.00 1.41 C ATOM 2056 OE1 GLU A 130 -11.064 2.461 -10.359 1.00 1.52 O ATOM 2057 OE2 GLU A 130 -9.786 1.364 -11.771 1.00 2.43 O ATOM 0 H GLU A 130 -8.662 0.081 -6.378 1.00 0.29 H new ATOM 0 HA GLU A 130 -9.985 -0.086 -9.007 1.00 0.31 H new ATOM 0 HB2 GLU A 130 -9.772 2.162 -7.954 1.00 0.36 H new ATOM 0 HB3 GLU A 130 -8.037 1.946 -7.841 1.00 0.36 H new ATOM 0 HG2 GLU A 130 -8.587 3.352 -9.754 1.00 0.93 H new ATOM 0 HG3 GLU A 130 -7.861 1.852 -10.297 1.00 0.93 H new ATOM 2064 N ILE A 131 -6.918 -0.886 -8.244 1.00 0.26 N ATOM 2065 CA ILE A 131 -5.712 -1.525 -8.765 1.00 0.27 C ATOM 2066 C ILE A 131 -6.022 -2.930 -9.245 1.00 0.27 C ATOM 2067 O ILE A 131 -5.429 -3.415 -10.208 1.00 0.30 O ATOM 2068 CB ILE A 131 -4.614 -1.563 -7.682 1.00 0.27 C ATOM 2069 CG1 ILE A 131 -4.962 -2.535 -6.536 1.00 0.29 C ATOM 2070 CG2 ILE A 131 -4.422 -0.166 -7.129 1.00 0.32 C ATOM 2071 CD1 ILE A 131 -4.594 -3.977 -6.806 1.00 0.59 C ATOM 0 H ILE A 131 -6.935 -0.767 -7.231 1.00 0.26 H new ATOM 0 HA ILE A 131 -5.350 -0.940 -9.610 1.00 0.27 H new ATOM 0 HB ILE A 131 -3.694 -1.923 -8.143 1.00 0.27 H new ATOM 0 HG12 ILE A 131 -4.453 -2.206 -5.630 1.00 0.29 H new ATOM 0 HG13 ILE A 131 -6.032 -2.477 -6.339 1.00 0.29 H new ATOM 0 HG21 ILE A 131 -3.648 -0.182 -6.362 1.00 0.32 H new ATOM 0 HG22 ILE A 131 -4.123 0.506 -7.933 1.00 0.32 H new ATOM 0 HG23 ILE A 131 -5.357 0.184 -6.693 1.00 0.32 H new ATOM 0 HD11 ILE A 131 -4.873 -4.590 -5.949 1.00 0.59 H new ATOM 0 HD12 ILE A 131 -5.124 -4.328 -7.692 1.00 0.59 H new ATOM 0 HD13 ILE A 131 -3.519 -4.053 -6.972 1.00 0.59 H new ATOM 2083 N ALA A 132 -6.991 -3.544 -8.584 1.00 0.24 N ATOM 2084 CA ALA A 132 -7.456 -4.887 -8.923 1.00 0.25 C ATOM 2085 C ALA A 132 -8.306 -5.465 -7.801 1.00 0.23 C ATOM 2086 O ALA A 132 -7.805 -6.172 -6.936 1.00 0.28 O ATOM 2087 CB ALA A 132 -6.290 -5.822 -9.229 1.00 0.30 C ATOM 0 H ALA A 132 -7.481 -3.126 -7.793 1.00 0.24 H new ATOM 0 HA ALA A 132 -8.068 -4.801 -9.821 1.00 0.25 H new ATOM 0 HB1 ALA A 132 -6.673 -6.812 -9.477 1.00 0.30 H new ATOM 0 HB2 ALA A 132 -5.722 -5.431 -10.073 1.00 0.30 H new ATOM 0 HB3 ALA A 132 -5.641 -5.892 -8.356 1.00 0.30 H new ATOM 2093 N PRO A 133 -9.609 -5.169 -7.793 1.00 0.25 N ATOM 2094 CA PRO A 133 -10.522 -5.653 -6.765 1.00 0.31 C ATOM 2095 C PRO A 133 -11.146 -6.997 -7.120 1.00 0.35 C ATOM 2096 O PRO A 133 -12.142 -7.408 -6.524 1.00 0.45 O ATOM 2097 CB PRO A 133 -11.563 -4.551 -6.753 1.00 0.37 C ATOM 2098 CG PRO A 133 -11.704 -4.200 -8.195 1.00 0.37 C ATOM 2099 CD PRO A 133 -10.316 -4.325 -8.779 1.00 0.29 C ATOM 0 HA PRO A 133 -10.038 -5.835 -5.806 1.00 0.31 H new ATOM 0 HB2 PRO A 133 -12.507 -4.893 -6.328 1.00 0.37 H new ATOM 0 HB3 PRO A 133 -11.238 -3.696 -6.160 1.00 0.37 H new ATOM 0 HG2 PRO A 133 -12.402 -4.871 -8.696 1.00 0.37 H new ATOM 0 HG3 PRO A 133 -12.091 -3.188 -8.317 1.00 0.37 H new ATOM 0 HD2 PRO A 133 -10.335 -4.788 -9.766 1.00 0.29 H new ATOM 0 HD3 PRO A 133 -9.838 -3.352 -8.893 1.00 0.29 H new ATOM 2107 N GLU A 134 -10.549 -7.681 -8.091 1.00 0.32 N ATOM 2108 CA GLU A 134 -11.038 -8.983 -8.518 1.00 0.37 C ATOM 2109 C GLU A 134 -10.388 -10.070 -7.681 1.00 0.37 C ATOM 2110 O GLU A 134 -10.360 -11.240 -8.063 1.00 0.52 O ATOM 2111 CB GLU A 134 -10.734 -9.207 -10.002 1.00 0.44 C ATOM 2112 CG GLU A 134 -9.251 -9.181 -10.330 1.00 0.46 C ATOM 2113 CD GLU A 134 -8.975 -9.408 -11.805 1.00 0.54 C ATOM 2114 OE1 GLU A 134 -9.457 -8.603 -12.628 1.00 0.87 O ATOM 2115 OE2 GLU A 134 -8.278 -10.390 -12.135 1.00 1.14 O ATOM 0 H GLU A 134 -9.726 -7.353 -8.596 1.00 0.32 H new ATOM 0 HA GLU A 134 -12.118 -9.020 -8.379 1.00 0.37 H new ATOM 0 HB2 GLU A 134 -11.148 -10.168 -10.308 1.00 0.44 H new ATOM 0 HB3 GLU A 134 -11.241 -8.440 -10.588 1.00 0.44 H new ATOM 0 HG2 GLU A 134 -8.833 -8.220 -10.030 1.00 0.46 H new ATOM 0 HG3 GLU A 134 -8.740 -9.947 -9.747 1.00 0.46 H new ATOM 2122 N LEU A 135 -9.855 -9.663 -6.536 1.00 0.30 N ATOM 2123 CA LEU A 135 -9.187 -10.579 -5.631 1.00 0.35 C ATOM 2124 C LEU A 135 -10.178 -11.217 -4.674 1.00 0.34 C ATOM 2125 O LEU A 135 -11.130 -10.578 -4.234 1.00 0.39 O ATOM 2126 CB LEU A 135 -8.116 -9.834 -4.832 1.00 0.41 C ATOM 2127 CG LEU A 135 -6.933 -10.692 -4.374 1.00 0.69 C ATOM 2128 CD1 LEU A 135 -5.839 -9.824 -3.787 1.00 1.27 C ATOM 2129 CD2 LEU A 135 -7.363 -11.732 -3.353 1.00 1.41 C ATOM 0 H LEU A 135 -9.875 -8.696 -6.214 1.00 0.30 H new ATOM 0 HA LEU A 135 -8.722 -11.365 -6.226 1.00 0.35 H new ATOM 0 HB2 LEU A 135 -7.736 -9.014 -5.441 1.00 0.41 H new ATOM 0 HB3 LEU A 135 -8.584 -9.389 -3.954 1.00 0.41 H new ATOM 0 HG LEU A 135 -6.548 -11.210 -5.252 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -5.008 -10.453 -3.468 1.00 1.27 H new ATOM 0 HD12 LEU A 135 -5.491 -9.118 -4.541 1.00 1.27 H new ATOM 0 HD13 LEU A 135 -6.230 -9.276 -2.930 1.00 1.27 H new ATOM 0 HD21 LEU A 135 -6.499 -12.323 -3.050 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -7.785 -11.233 -2.481 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -8.114 -12.387 -3.795 1.00 1.41 H new ATOM 2141 N VAL A 136 -9.927 -12.473 -4.339 1.00 0.36 N ATOM 2142 CA VAL A 136 -10.773 -13.203 -3.410 1.00 0.38 C ATOM 2143 C VAL A 136 -9.919 -14.008 -2.436 1.00 0.42 C ATOM 2144 O VAL A 136 -9.030 -14.757 -2.844 1.00 0.53 O ATOM 2145 CB VAL A 136 -11.763 -14.130 -4.146 1.00 0.41 C ATOM 2146 CG1 VAL A 136 -11.055 -14.910 -5.245 1.00 0.46 C ATOM 2147 CG2 VAL A 136 -12.446 -15.080 -3.172 1.00 0.44 C ATOM 0 H VAL A 136 -9.139 -13.010 -4.700 1.00 0.36 H new ATOM 0 HA VAL A 136 -11.358 -12.472 -2.852 1.00 0.38 H new ATOM 0 HB VAL A 136 -12.529 -13.506 -4.606 1.00 0.41 H new ATOM 0 HG11 VAL A 136 -11.771 -15.557 -5.751 1.00 0.46 H new ATOM 0 HG12 VAL A 136 -10.623 -14.214 -5.964 1.00 0.46 H new ATOM 0 HG13 VAL A 136 -10.263 -15.518 -4.807 1.00 0.46 H new ATOM 0 HG21 VAL A 136 -13.139 -15.722 -3.716 1.00 0.44 H new ATOM 0 HG22 VAL A 136 -11.695 -15.694 -2.676 1.00 0.44 H new ATOM 0 HG23 VAL A 136 -12.994 -14.504 -2.426 1.00 0.44 H new ATOM 2157 N PHE A 137 -10.189 -13.839 -1.144 1.00 0.46 N ATOM 2158 CA PHE A 137 -9.440 -14.536 -0.107 1.00 0.53 C ATOM 2159 C PHE A 137 -9.680 -16.039 -0.185 1.00 0.57 C ATOM 2160 O PHE A 137 -10.669 -16.480 -0.769 1.00 0.60 O ATOM 2161 CB PHE A 137 -9.840 -14.018 1.282 1.00 0.59 C ATOM 2162 CG PHE A 137 -9.452 -12.585 1.547 1.00 0.58 C ATOM 2163 CD1 PHE A 137 -9.934 -11.569 0.738 1.00 0.55 C ATOM 2164 CD2 PHE A 137 -8.604 -12.255 2.594 1.00 0.66 C ATOM 2165 CE1 PHE A 137 -9.579 -10.254 0.966 1.00 0.59 C ATOM 2166 CE2 PHE A 137 -8.247 -10.940 2.828 1.00 0.68 C ATOM 2167 CZ PHE A 137 -8.736 -9.948 2.062 1.00 0.64 C ATOM 0 H PHE A 137 -10.923 -13.224 -0.792 1.00 0.46 H new ATOM 0 HA PHE A 137 -8.380 -14.342 -0.268 1.00 0.53 H new ATOM 0 HB2 PHE A 137 -10.919 -14.117 1.396 1.00 0.59 H new ATOM 0 HB3 PHE A 137 -9.380 -14.652 2.040 1.00 0.59 H new ATOM 0 HD1 PHE A 137 -10.596 -11.808 -0.081 1.00 0.55 H new ATOM 0 HD2 PHE A 137 -8.218 -13.035 3.234 1.00 0.66 H new ATOM 0 HE1 PHE A 137 -9.939 -9.469 0.317 1.00 0.59 H new ATOM 0 HE2 PHE A 137 -7.568 -10.707 3.635 1.00 0.68 H new ATOM 0 HZ PHE A 137 -8.486 -8.921 2.282 1.00 0.64 H new ATOM 2177 N PRO A 138 -8.785 -16.851 0.414 1.00 0.60 N ATOM 2178 CA PRO A 138 -8.926 -18.310 0.412 1.00 0.66 C ATOM 2179 C PRO A 138 -10.311 -18.743 0.886 1.00 0.73 C ATOM 2180 O PRO A 138 -10.711 -19.895 0.715 1.00 0.78 O ATOM 2181 CB PRO A 138 -7.852 -18.773 1.399 1.00 0.70 C ATOM 2182 CG PRO A 138 -6.825 -17.696 1.377 1.00 0.75 C ATOM 2183 CD PRO A 138 -7.576 -16.415 1.140 1.00 0.62 C ATOM 0 HA PRO A 138 -8.812 -18.736 -0.585 1.00 0.66 H new ATOM 0 HB2 PRO A 138 -8.265 -18.906 2.399 1.00 0.70 H new ATOM 0 HB3 PRO A 138 -7.427 -19.731 1.100 1.00 0.70 H new ATOM 0 HG2 PRO A 138 -6.277 -17.659 2.319 1.00 0.75 H new ATOM 0 HG3 PRO A 138 -6.092 -17.871 0.589 1.00 0.75 H new ATOM 0 HD2 PRO A 138 -7.828 -15.919 2.077 1.00 0.62 H new ATOM 0 HD3 PRO A 138 -6.989 -15.709 0.553 1.00 0.62 H new ATOM 2191 N ASP A 139 -11.035 -17.802 1.485 1.00 0.77 N ATOM 2192 CA ASP A 139 -12.375 -18.058 1.994 1.00 0.87 C ATOM 2193 C ASP A 139 -13.415 -17.902 0.887 1.00 0.80 C ATOM 2194 O ASP A 139 -14.073 -18.867 0.496 1.00 1.03 O ATOM 2195 CB ASP A 139 -12.689 -17.090 3.135 1.00 0.92 C ATOM 2196 CG ASP A 139 -13.892 -17.525 3.952 1.00 1.33 C ATOM 2197 OD1 ASP A 139 -14.993 -17.632 3.375 1.00 1.72 O ATOM 2198 OD2 ASP A 139 -13.731 -17.759 5.167 1.00 1.91 O ATOM 0 H ASP A 139 -10.710 -16.846 1.630 1.00 0.77 H new ATOM 0 HA ASP A 139 -12.413 -19.083 2.363 1.00 0.87 H new ATOM 0 HB2 ASP A 139 -11.820 -17.009 3.788 1.00 0.92 H new ATOM 0 HB3 ASP A 139 -12.872 -16.097 2.725 1.00 0.92 H new ATOM 2203 N GLY A 140 -13.558 -16.676 0.388 1.00 0.59 N ATOM 2204 CA GLY A 140 -14.519 -16.405 -0.665 1.00 0.59 C ATOM 2205 C GLY A 140 -14.789 -14.921 -0.841 1.00 0.61 C ATOM 2206 O GLY A 140 -15.370 -14.504 -1.842 1.00 0.95 O ATOM 0 H GLY A 140 -13.023 -15.864 0.696 1.00 0.59 H new ATOM 0 HA2 GLY A 140 -14.150 -16.817 -1.604 1.00 0.59 H new ATOM 0 HA3 GLY A 140 -15.455 -16.916 -0.439 1.00 0.59 H new ATOM 2210 N GLU A 141 -14.364 -14.124 0.137 1.00 0.51 N ATOM 2211 CA GLU A 141 -14.557 -12.678 0.092 1.00 0.62 C ATOM 2212 C GLU A 141 -13.690 -12.035 -0.980 1.00 0.53 C ATOM 2213 O GLU A 141 -12.781 -12.664 -1.509 1.00 0.59 O ATOM 2214 CB GLU A 141 -14.231 -12.052 1.445 1.00 0.86 C ATOM 2215 CG GLU A 141 -15.321 -12.227 2.496 1.00 1.38 C ATOM 2216 CD GLU A 141 -15.587 -13.679 2.853 1.00 2.15 C ATOM 2217 OE1 GLU A 141 -16.083 -14.421 1.980 1.00 2.76 O ATOM 2218 OE2 GLU A 141 -15.300 -14.074 4.003 1.00 2.53 O ATOM 0 H GLU A 141 -13.882 -14.457 0.972 1.00 0.51 H new ATOM 0 HA GLU A 141 -15.604 -12.498 -0.151 1.00 0.62 H new ATOM 0 HB2 GLU A 141 -13.306 -12.489 1.821 1.00 0.86 H new ATOM 0 HB3 GLU A 141 -14.046 -10.987 1.304 1.00 0.86 H new ATOM 0 HG2 GLU A 141 -15.036 -11.685 3.398 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -16.243 -11.775 2.131 1.00 1.38 H new ATOM 2225 N MET A 142 -13.977 -10.775 -1.286 1.00 0.48 N ATOM 2226 CA MET A 142 -13.221 -10.033 -2.295 1.00 0.41 C ATOM 2227 C MET A 142 -13.009 -8.587 -1.855 1.00 0.37 C ATOM 2228 O MET A 142 -13.628 -8.132 -0.894 1.00 0.39 O ATOM 2229 CB MET A 142 -13.959 -10.064 -3.635 1.00 0.42 C ATOM 2230 CG MET A 142 -14.164 -11.465 -4.189 1.00 0.49 C ATOM 2231 SD MET A 142 -15.025 -11.468 -5.773 1.00 0.55 S ATOM 2232 CE MET A 142 -13.893 -10.512 -6.778 1.00 1.68 C ATOM 0 H MET A 142 -14.730 -10.242 -0.850 1.00 0.48 H new ATOM 0 HA MET A 142 -12.247 -10.509 -2.411 1.00 0.41 H new ATOM 0 HB2 MET A 142 -14.931 -9.585 -3.515 1.00 0.42 H new ATOM 0 HB3 MET A 142 -13.400 -9.474 -4.361 1.00 0.42 H new ATOM 0 HG2 MET A 142 -13.195 -11.950 -4.306 1.00 0.49 H new ATOM 0 HG3 MET A 142 -14.732 -12.056 -3.470 1.00 0.49 H new ATOM 0 HE1 MET A 142 -13.907 -10.889 -7.801 1.00 1.68 H new ATOM 0 HE2 MET A 142 -14.197 -9.465 -6.773 1.00 1.68 H new ATOM 0 HE3 MET A 142 -12.885 -10.598 -6.373 1.00 1.68 H new ATOM 2242 N LEU A 143 -12.143 -7.859 -2.565 1.00 0.38 N ATOM 2243 CA LEU A 143 -11.882 -6.474 -2.241 1.00 0.39 C ATOM 2244 C LEU A 143 -13.147 -5.656 -2.463 1.00 0.41 C ATOM 2245 O LEU A 143 -13.324 -4.582 -1.888 1.00 0.50 O ATOM 2246 CB LEU A 143 -10.741 -5.969 -3.115 1.00 0.44 C ATOM 2247 CG LEU A 143 -10.216 -4.579 -2.784 1.00 0.51 C ATOM 2248 CD1 LEU A 143 -9.778 -4.495 -1.329 1.00 1.38 C ATOM 2249 CD2 LEU A 143 -9.061 -4.247 -3.704 1.00 1.56 C ATOM 0 H LEU A 143 -11.617 -8.214 -3.364 1.00 0.38 H new ATOM 0 HA LEU A 143 -11.591 -6.375 -1.195 1.00 0.39 H new ATOM 0 HB2 LEU A 143 -9.914 -6.675 -3.043 1.00 0.44 H new ATOM 0 HB3 LEU A 143 -11.075 -5.973 -4.153 1.00 0.44 H new ATOM 0 HG LEU A 143 -11.017 -3.855 -2.932 1.00 0.51 H new ATOM 0 HD11 LEU A 143 -9.407 -3.492 -1.118 1.00 1.38 H new ATOM 0 HD12 LEU A 143 -10.627 -4.712 -0.680 1.00 1.38 H new ATOM 0 HD13 LEU A 143 -8.986 -5.221 -1.145 1.00 1.38 H new ATOM 0 HD21 LEU A 143 -8.683 -3.252 -3.469 1.00 1.56 H new ATOM 0 HD22 LEU A 143 -8.265 -4.979 -3.567 1.00 1.56 H new ATOM 0 HD23 LEU A 143 -9.402 -4.271 -4.739 1.00 1.56 H new ATOM 2261 N ARG A 144 -14.034 -6.200 -3.292 1.00 0.39 N ATOM 2262 CA ARG A 144 -15.307 -5.563 -3.596 1.00 0.47 C ATOM 2263 C ARG A 144 -16.323 -5.910 -2.513 1.00 0.49 C ATOM 2264 O ARG A 144 -17.052 -5.046 -2.023 1.00 0.56 O ATOM 2265 CB ARG A 144 -15.804 -6.029 -4.975 1.00 0.54 C ATOM 2266 CG ARG A 144 -17.010 -5.262 -5.510 1.00 0.77 C ATOM 2267 CD ARG A 144 -18.296 -5.616 -4.780 1.00 0.88 C ATOM 2268 NE ARG A 144 -19.455 -4.920 -5.338 1.00 1.47 N ATOM 2269 CZ ARG A 144 -19.596 -3.596 -5.348 1.00 2.12 C ATOM 2270 NH1 ARG A 144 -18.661 -2.819 -4.819 1.00 2.68 N ATOM 2271 NH2 ARG A 144 -20.677 -3.050 -5.886 1.00 2.83 N ATOM 0 H ARG A 144 -13.890 -7.090 -3.768 1.00 0.39 H new ATOM 0 HA ARG A 144 -15.179 -4.481 -3.621 1.00 0.47 H new ATOM 0 HB2 ARG A 144 -14.987 -5.939 -5.690 1.00 0.54 H new ATOM 0 HB3 ARG A 144 -16.060 -7.087 -4.915 1.00 0.54 H new ATOM 0 HG2 ARG A 144 -16.826 -4.192 -5.417 1.00 0.77 H new ATOM 0 HG3 ARG A 144 -17.129 -5.474 -6.573 1.00 0.77 H new ATOM 0 HD2 ARG A 144 -18.459 -6.692 -4.835 1.00 0.88 H new ATOM 0 HD3 ARG A 144 -18.195 -5.362 -3.725 1.00 0.88 H new ATOM 0 HE ARG A 144 -20.201 -5.484 -5.745 1.00 1.47 H new ATOM 0 HH11 ARG A 144 -17.828 -3.235 -4.402 1.00 2.68 H new ATOM 0 HH12 ARG A 144 -18.774 -1.805 -4.829 1.00 2.68 H new ATOM 0 HH21 ARG A 144 -21.400 -3.644 -6.292 1.00 2.83 H new ATOM 0 HH22 ARG A 144 -20.786 -2.036 -5.894 1.00 2.83 H new ATOM 2285 N GLN A 145 -16.355 -7.189 -2.142 1.00 0.47 N ATOM 2286 CA GLN A 145 -17.266 -7.679 -1.113 1.00 0.52 C ATOM 2287 C GLN A 145 -17.040 -6.956 0.209 1.00 0.48 C ATOM 2288 O GLN A 145 -17.989 -6.580 0.897 1.00 0.56 O ATOM 2289 CB GLN A 145 -17.075 -9.190 -0.934 1.00 0.57 C ATOM 2290 CG GLN A 145 -17.876 -9.792 0.213 1.00 0.64 C ATOM 2291 CD GLN A 145 -17.216 -9.627 1.569 1.00 0.60 C ATOM 2292 OE1 GLN A 145 -17.831 -9.884 2.605 1.00 0.67 O ATOM 2293 NE2 GLN A 145 -15.951 -9.224 1.577 1.00 0.52 N ATOM 0 H GLN A 145 -15.754 -7.909 -2.544 1.00 0.47 H new ATOM 0 HA GLN A 145 -18.289 -7.479 -1.431 1.00 0.52 H new ATOM 0 HB2 GLN A 145 -17.355 -9.692 -1.860 1.00 0.57 H new ATOM 0 HB3 GLN A 145 -16.017 -9.394 -0.769 1.00 0.57 H new ATOM 0 HG2 GLN A 145 -18.862 -9.327 0.239 1.00 0.64 H new ATOM 0 HG3 GLN A 145 -18.029 -10.854 0.020 1.00 0.64 H new ATOM 0 HE21 GLN A 145 -15.475 -9.021 0.698 1.00 0.52 H new ATOM 0 HE22 GLN A 145 -15.455 -9.118 2.462 1.00 0.52 H new ATOM 2302 N ILE A 146 -15.774 -6.773 0.559 1.00 0.40 N ATOM 2303 CA ILE A 146 -15.407 -6.108 1.801 1.00 0.40 C ATOM 2304 C ILE A 146 -15.895 -4.662 1.818 1.00 0.43 C ATOM 2305 O ILE A 146 -16.325 -4.158 2.855 1.00 0.53 O ATOM 2306 CB ILE A 146 -13.883 -6.157 2.008 1.00 0.42 C ATOM 2307 CG1 ILE A 146 -13.438 -7.614 2.193 1.00 0.43 C ATOM 2308 CG2 ILE A 146 -13.470 -5.299 3.198 1.00 0.50 C ATOM 2309 CD1 ILE A 146 -13.647 -8.150 3.596 1.00 0.78 C ATOM 0 H ILE A 146 -14.980 -7.078 -0.004 1.00 0.40 H new ATOM 0 HA ILE A 146 -15.892 -6.639 2.620 1.00 0.40 H new ATOM 0 HB ILE A 146 -13.389 -5.749 1.126 1.00 0.42 H new ATOM 0 HG12 ILE A 146 -13.985 -8.242 1.490 1.00 0.43 H new ATOM 0 HG13 ILE A 146 -12.381 -7.696 1.938 1.00 0.43 H new ATOM 0 HG21 ILE A 146 -12.389 -5.349 3.325 1.00 0.50 H new ATOM 0 HG22 ILE A 146 -13.767 -4.265 3.022 1.00 0.50 H new ATOM 0 HG23 ILE A 146 -13.959 -5.668 4.100 1.00 0.50 H new ATOM 0 HD11 ILE A 146 -13.308 -9.185 3.644 1.00 0.78 H new ATOM 0 HD12 ILE A 146 -13.078 -7.548 4.304 1.00 0.78 H new ATOM 0 HD13 ILE A 146 -14.706 -8.103 3.849 1.00 0.78 H new ATOM 2321 N LEU A 147 -15.846 -4.005 0.664 1.00 0.42 N ATOM 2322 CA LEU A 147 -16.306 -2.625 0.561 1.00 0.50 C ATOM 2323 C LEU A 147 -17.830 -2.561 0.598 1.00 0.59 C ATOM 2324 O LEU A 147 -18.411 -1.512 0.865 1.00 0.72 O ATOM 2325 CB LEU A 147 -15.788 -1.967 -0.719 1.00 0.55 C ATOM 2326 CG LEU A 147 -14.334 -1.498 -0.664 1.00 0.61 C ATOM 2327 CD1 LEU A 147 -13.918 -0.899 -1.996 1.00 0.76 C ATOM 2328 CD2 LEU A 147 -14.150 -0.483 0.455 1.00 0.62 C ATOM 0 H LEU A 147 -15.495 -4.402 -0.207 1.00 0.42 H new ATOM 0 HA LEU A 147 -15.909 -2.078 1.416 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -15.895 -2.674 -1.541 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -16.421 -1.111 -0.951 1.00 0.55 H new ATOM 0 HG LEU A 147 -13.699 -2.360 -0.461 1.00 0.61 H new ATOM 0 HD11 LEU A 147 -12.880 -0.570 -1.939 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -14.018 -1.650 -2.780 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -14.556 -0.046 -2.227 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -13.110 -0.157 0.483 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -14.795 0.377 0.276 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -14.413 -0.941 1.409 1.00 0.62 H new ATOM 2340 N HIS A 148 -18.468 -3.696 0.335 1.00 0.59 N ATOM 2341 CA HIS A 148 -19.925 -3.770 0.347 1.00 0.73 C ATOM 2342 C HIS A 148 -20.442 -3.710 1.778 1.00 0.79 C ATOM 2343 O HIS A 148 -21.458 -3.072 2.058 1.00 0.90 O ATOM 2344 CB HIS A 148 -20.399 -5.057 -0.335 1.00 0.77 C ATOM 2345 CG HIS A 148 -21.889 -5.188 -0.392 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -22.704 -4.271 -1.022 1.00 1.36 N ATOM 2347 CD2 HIS A 148 -22.712 -6.140 0.104 1.00 1.58 C ATOM 2348 CE1 HIS A 148 -23.963 -4.652 -0.909 1.00 1.28 C ATOM 2349 NE2 HIS A 148 -23.996 -5.784 -0.229 1.00 1.34 N ATOM 0 H HIS A 148 -18.001 -4.575 0.112 1.00 0.59 H new ATOM 0 HA HIS A 148 -20.322 -2.918 -0.205 1.00 0.73 H new ATOM 0 HB2 HIS A 148 -20.000 -5.090 -1.349 1.00 0.77 H new ATOM 0 HB3 HIS A 148 -19.987 -5.914 0.197 1.00 0.77 H new ATOM 0 HD2 HIS A 148 -22.415 -7.017 0.659 1.00 1.58 H new ATOM 0 HE1 HIS A 148 -24.820 -4.127 -1.305 1.00 1.28 H new ATOM 0 HE2 HIS A 148 -24.838 -6.308 0.010 1.00 1.34 H new ATOM 2358 N THR A 149 -19.727 -4.371 2.684 1.00 0.77 N ATOM 2359 CA THR A 149 -20.098 -4.388 4.095 1.00 0.88 C ATOM 2360 C THR A 149 -19.479 -3.197 4.817 1.00 0.86 C ATOM 2361 O THR A 149 -20.187 -2.366 5.385 1.00 0.94 O ATOM 2362 CB THR A 149 -19.642 -5.693 4.747 1.00 0.90 C ATOM 2363 OG1 THR A 149 -20.245 -6.808 4.116 1.00 1.10 O ATOM 2364 CG2 THR A 149 -19.968 -5.771 6.224 1.00 1.18 C ATOM 0 H THR A 149 -18.885 -4.903 2.465 1.00 0.77 H new ATOM 0 HA THR A 149 -21.183 -4.319 4.171 1.00 0.88 H new ATOM 0 HB THR A 149 -18.559 -5.710 4.628 1.00 0.90 H new ATOM 0 HG1 THR A 149 -19.939 -7.633 4.547 1.00 1.10 H new ATOM 0 HG21 THR A 149 -19.617 -6.722 6.624 1.00 1.18 H new ATOM 0 HG22 THR A 149 -19.475 -4.953 6.749 1.00 1.18 H new ATOM 0 HG23 THR A 149 -21.046 -5.694 6.363 1.00 1.18 H new ATOM 2372 N ARG A 150 -18.151 -3.119 4.779 1.00 0.86 N ATOM 2373 CA ARG A 150 -17.427 -2.026 5.418 1.00 0.93 C ATOM 2374 C ARG A 150 -17.909 -0.682 4.881 1.00 0.95 C ATOM 2375 O ARG A 150 -18.219 0.230 5.649 1.00 1.05 O ATOM 2376 CB ARG A 150 -15.923 -2.168 5.171 1.00 0.99 C ATOM 2377 CG ARG A 150 -15.314 -3.434 5.749 1.00 0.96 C ATOM 2378 CD ARG A 150 -15.352 -3.430 7.270 1.00 1.26 C ATOM 2379 NE ARG A 150 -14.686 -4.598 7.842 1.00 2.01 N ATOM 2380 CZ ARG A 150 -15.100 -5.851 7.664 1.00 2.55 C ATOM 2381 NH1 ARG A 150 -16.189 -6.100 6.950 1.00 2.55 N ATOM 2382 NH2 ARG A 150 -14.426 -6.855 8.206 1.00 3.55 N ATOM 0 H ARG A 150 -17.555 -3.802 4.311 1.00 0.86 H new ATOM 0 HA ARG A 150 -17.619 -2.070 6.490 1.00 0.93 H new ATOM 0 HB2 ARG A 150 -15.739 -2.147 4.097 1.00 0.99 H new ATOM 0 HB3 ARG A 150 -15.413 -1.305 5.598 1.00 0.99 H new ATOM 0 HG2 ARG A 150 -15.855 -4.303 5.373 1.00 0.96 H new ATOM 0 HG3 ARG A 150 -14.282 -3.530 5.410 1.00 0.96 H new ATOM 0 HD2 ARG A 150 -14.874 -2.523 7.641 1.00 1.26 H new ATOM 0 HD3 ARG A 150 -16.389 -3.404 7.606 1.00 1.26 H new ATOM 0 HE ARG A 150 -13.854 -4.444 8.412 1.00 2.01 H new ATOM 0 HH11 ARG A 150 -16.713 -5.330 6.534 1.00 2.55 H new ATOM 0 HH12 ARG A 150 -16.502 -7.061 6.816 1.00 2.55 H new ATOM 0 HH21 ARG A 150 -13.590 -6.668 8.760 1.00 3.55 H new ATOM 0 HH22 ARG A 150 -14.743 -7.815 8.070 1.00 3.55 H new ATOM 2396 N ALA A 151 -17.965 -0.573 3.557 1.00 0.94 N ATOM 2397 CA ALA A 151 -18.404 0.653 2.895 1.00 1.04 C ATOM 2398 C ALA A 151 -17.446 1.804 3.180 1.00 1.11 C ATOM 2399 O ALA A 151 -17.826 2.807 3.783 1.00 1.59 O ATOM 2400 CB ALA A 151 -19.819 1.015 3.324 1.00 1.61 C ATOM 0 H ALA A 151 -17.710 -1.325 2.916 1.00 0.94 H new ATOM 0 HA ALA A 151 -18.403 0.474 1.820 1.00 1.04 H new ATOM 0 HB1 ALA A 151 -20.129 1.931 2.821 1.00 1.61 H new ATOM 0 HB2 ALA A 151 -20.499 0.206 3.056 1.00 1.61 H new ATOM 0 HB3 ALA A 151 -19.844 1.168 4.403 1.00 1.61 H new ATOM 2406 N PHE A 152 -16.202 1.654 2.731 1.00 1.09 N ATOM 2407 CA PHE A 152 -15.192 2.680 2.926 1.00 1.61 C ATOM 2408 C PHE A 152 -14.745 3.265 1.591 1.00 1.38 C ATOM 2409 O PHE A 152 -13.549 3.421 1.339 1.00 1.90 O ATOM 2410 CB PHE A 152 -13.984 2.121 3.687 1.00 2.51 C ATOM 2411 CG PHE A 152 -14.226 1.915 5.159 1.00 3.40 C ATOM 2412 CD1 PHE A 152 -15.297 1.161 5.605 1.00 3.42 C ATOM 2413 CD2 PHE A 152 -13.375 2.478 6.095 1.00 4.44 C ATOM 2414 CE1 PHE A 152 -15.517 0.971 6.957 1.00 4.40 C ATOM 2415 CE2 PHE A 152 -13.587 2.291 7.449 1.00 5.41 C ATOM 2416 CZ PHE A 152 -14.660 1.537 7.880 1.00 5.37 C ATOM 0 H PHE A 152 -15.873 0.829 2.229 1.00 1.09 H new ATOM 0 HA PHE A 152 -15.639 3.476 3.521 1.00 1.61 H new ATOM 0 HB2 PHE A 152 -13.696 1.169 3.241 1.00 2.51 H new ATOM 0 HB3 PHE A 152 -13.142 2.801 3.560 1.00 2.51 H new ATOM 0 HD1 PHE A 152 -15.970 0.715 4.888 1.00 3.42 H new ATOM 0 HD2 PHE A 152 -12.535 3.071 5.764 1.00 4.44 H new ATOM 0 HE1 PHE A 152 -16.358 0.381 7.290 1.00 4.40 H new ATOM 0 HE2 PHE A 152 -12.914 2.734 8.168 1.00 5.41 H new ATOM 0 HZ PHE A 152 -14.829 1.390 8.937 1.00 5.37 H new ATOM 2426 N ASP A 153 -15.714 3.610 0.745 1.00 1.04 N ATOM 2427 CA ASP A 153 -15.422 4.208 -0.554 1.00 1.18 C ATOM 2428 C ASP A 153 -14.986 5.657 -0.363 1.00 1.01 C ATOM 2429 O ASP A 153 -15.029 6.469 -1.288 1.00 1.40 O ATOM 2430 CB ASP A 153 -16.650 4.142 -1.465 1.00 1.46 C ATOM 2431 CG ASP A 153 -17.124 2.721 -1.698 1.00 2.05 C ATOM 2432 OD1 ASP A 153 -16.335 1.912 -2.226 1.00 2.52 O ATOM 2433 OD2 ASP A 153 -18.286 2.417 -1.350 1.00 2.54 O ATOM 0 H ASP A 153 -16.708 3.485 0.937 1.00 1.04 H new ATOM 0 HA ASP A 153 -14.615 3.648 -1.027 1.00 1.18 H new ATOM 0 HB2 ASP A 153 -17.459 4.723 -1.022 1.00 1.46 H new ATOM 0 HB3 ASP A 153 -16.413 4.604 -2.423 1.00 1.46 H new ATOM 2438 N LYS A 154 -14.580 5.957 0.865 1.00 0.68 N ATOM 2439 CA LYS A 154 -14.132 7.280 1.262 1.00 0.59 C ATOM 2440 C LYS A 154 -12.917 7.745 0.464 1.00 0.52 C ATOM 2441 O LYS A 154 -12.778 7.454 -0.721 1.00 0.67 O ATOM 2442 CB LYS A 154 -13.777 7.238 2.746 1.00 0.63 C ATOM 2443 CG LYS A 154 -14.960 6.929 3.650 1.00 0.79 C ATOM 2444 CD LYS A 154 -14.554 6.911 5.116 1.00 0.93 C ATOM 2445 CE LYS A 154 -13.538 5.814 5.407 1.00 0.94 C ATOM 2446 NZ LYS A 154 -13.116 5.814 6.836 1.00 1.77 N ATOM 0 H LYS A 154 -14.554 5.275 1.623 1.00 0.68 H new ATOM 0 HA LYS A 154 -14.937 7.988 1.065 1.00 0.59 H new ATOM 0 HB2 LYS A 154 -13.004 6.486 2.904 1.00 0.63 H new ATOM 0 HB3 LYS A 154 -13.351 8.199 3.036 1.00 0.63 H new ATOM 0 HG2 LYS A 154 -15.740 7.675 3.497 1.00 0.79 H new ATOM 0 HG3 LYS A 154 -15.385 5.963 3.377 1.00 0.79 H new ATOM 0 HD2 LYS A 154 -14.133 7.879 5.389 1.00 0.93 H new ATOM 0 HD3 LYS A 154 -15.438 6.762 5.736 1.00 0.93 H new ATOM 0 HE2 LYS A 154 -13.968 4.845 5.155 1.00 0.94 H new ATOM 0 HE3 LYS A 154 -12.664 5.950 4.770 1.00 0.94 H new ATOM 0 HZ1 LYS A 154 -13.098 4.837 7.193 1.00 1.77 H new ATOM 0 HZ2 LYS A 154 -12.166 6.230 6.918 1.00 1.77 H new ATOM 0 HZ3 LYS A 154 -13.789 6.375 7.397 1.00 1.77 H new ATOM 2460 N LEU A 155 -12.038 8.473 1.145 1.00 0.55 N ATOM 2461 CA LEU A 155 -10.815 8.998 0.554 1.00 0.57 C ATOM 2462 C LEU A 155 -11.084 9.868 -0.667 1.00 0.51 C ATOM 2463 O LEU A 155 -11.253 9.364 -1.778 1.00 0.61 O ATOM 2464 CB LEU A 155 -9.864 7.869 0.157 1.00 0.67 C ATOM 2465 CG LEU A 155 -9.497 6.862 1.253 1.00 0.81 C ATOM 2466 CD1 LEU A 155 -8.310 6.032 0.802 1.00 1.81 C ATOM 2467 CD2 LEU A 155 -9.195 7.553 2.575 1.00 1.95 C ATOM 0 H LEU A 155 -12.156 8.716 2.129 1.00 0.55 H new ATOM 0 HA LEU A 155 -10.353 9.617 1.323 1.00 0.57 H new ATOM 0 HB2 LEU A 155 -10.313 7.322 -0.672 1.00 0.67 H new ATOM 0 HB3 LEU A 155 -8.943 8.316 -0.217 1.00 0.67 H new ATOM 0 HG LEU A 155 -10.355 6.210 1.419 1.00 0.81 H new ATOM 0 HD11 LEU A 155 -8.049 5.316 1.582 1.00 1.81 H new ATOM 0 HD12 LEU A 155 -8.567 5.496 -0.112 1.00 1.81 H new ATOM 0 HD13 LEU A 155 -7.460 6.687 0.612 1.00 1.81 H new ATOM 0 HD21 LEU A 155 -8.939 6.806 3.326 1.00 1.95 H new ATOM 0 HD22 LEU A 155 -8.357 8.238 2.445 1.00 1.95 H new ATOM 0 HD23 LEU A 155 -10.072 8.111 2.902 1.00 1.95 H new ATOM 2479 N ASN A 156 -11.078 11.178 -0.463 1.00 0.54 N ATOM 2480 CA ASN A 156 -11.277 12.121 -1.554 1.00 0.54 C ATOM 2481 C ASN A 156 -9.986 12.233 -2.365 1.00 0.53 C ATOM 2482 O ASN A 156 -8.914 11.907 -1.864 1.00 0.75 O ATOM 2483 CB ASN A 156 -11.680 13.488 -0.999 1.00 0.63 C ATOM 2484 CG ASN A 156 -11.804 14.538 -2.080 1.00 1.07 C ATOM 2485 OD1 ASN A 156 -12.613 14.411 -2.999 1.00 2.09 O ATOM 2486 ND2 ASN A 156 -10.997 15.583 -1.974 1.00 1.34 N ATOM 0 H ASN A 156 -10.937 11.612 0.449 1.00 0.54 H new ATOM 0 HA ASN A 156 -12.077 11.765 -2.203 1.00 0.54 H new ATOM 0 HB2 ASN A 156 -12.631 13.397 -0.474 1.00 0.63 H new ATOM 0 HB3 ASN A 156 -10.941 13.811 -0.266 1.00 0.63 H new ATOM 0 HD21 ASN A 156 -11.030 16.326 -2.672 1.00 1.34 H new ATOM 0 HD22 ASN A 156 -10.342 15.645 -1.194 1.00 1.34 H new ATOM 2493 N LYS A 157 -10.089 12.671 -3.617 1.00 0.46 N ATOM 2494 CA LYS A 157 -8.915 12.798 -4.481 1.00 0.46 C ATOM 2495 C LYS A 157 -8.196 14.132 -4.282 1.00 0.48 C ATOM 2496 O LYS A 157 -8.830 15.170 -4.094 1.00 0.64 O ATOM 2497 CB LYS A 157 -9.320 12.644 -5.948 1.00 0.54 C ATOM 2498 CG LYS A 157 -9.767 11.236 -6.311 1.00 0.60 C ATOM 2499 CD LYS A 157 -10.341 11.172 -7.720 1.00 1.33 C ATOM 2500 CE LYS A 157 -9.316 11.576 -8.768 1.00 1.77 C ATOM 2501 NZ LYS A 157 -8.131 10.672 -8.768 1.00 2.30 N ATOM 0 H LYS A 157 -10.969 12.943 -4.056 1.00 0.46 H new ATOM 0 HA LYS A 157 -8.223 12.003 -4.204 1.00 0.46 H new ATOM 0 HB2 LYS A 157 -10.128 13.341 -6.168 1.00 0.54 H new ATOM 0 HB3 LYS A 157 -8.477 12.923 -6.580 1.00 0.54 H new ATOM 0 HG2 LYS A 157 -8.921 10.554 -6.232 1.00 0.60 H new ATOM 0 HG3 LYS A 157 -10.517 10.897 -5.597 1.00 0.60 H new ATOM 0 HD2 LYS A 157 -10.690 10.160 -7.924 1.00 1.33 H new ATOM 0 HD3 LYS A 157 -11.209 11.828 -7.789 1.00 1.33 H new ATOM 0 HE2 LYS A 157 -9.781 11.564 -9.754 1.00 1.77 H new ATOM 0 HE3 LYS A 157 -8.991 12.600 -8.582 1.00 1.77 H new ATOM 0 HZ1 LYS A 157 -7.300 11.189 -8.417 1.00 2.30 H new ATOM 0 HZ2 LYS A 157 -8.317 9.856 -8.151 1.00 2.30 H new ATOM 0 HZ3 LYS A 157 -7.948 10.339 -9.736 1.00 2.30 H new ATOM 2515 N TRP A 158 -6.861 14.083 -4.337 1.00 0.45 N ATOM 2516 CA TRP A 158 -6.020 15.269 -4.180 1.00 0.54 C ATOM 2517 C TRP A 158 -6.589 16.456 -4.954 1.00 0.75 C ATOM 2518 O TRP A 158 -6.629 17.568 -4.385 1.00 1.21 O ATOM 2519 CB TRP A 158 -4.601 14.964 -4.670 1.00 0.62 C ATOM 2520 CG TRP A 158 -3.654 16.121 -4.543 1.00 0.71 C ATOM 2521 CD1 TRP A 158 -3.215 16.932 -5.549 1.00 0.98 C ATOM 2522 CD2 TRP A 158 -3.010 16.578 -3.348 1.00 0.72 C ATOM 2523 NE1 TRP A 158 -2.355 17.878 -5.050 1.00 1.04 N ATOM 2524 CE2 TRP A 158 -2.208 17.680 -3.702 1.00 0.89 C ATOM 2525 CE3 TRP A 158 -3.037 16.168 -2.014 1.00 0.81 C ATOM 2526 CZ2 TRP A 158 -1.442 18.374 -2.770 1.00 1.01 C ATOM 2527 CZ3 TRP A 158 -2.275 16.856 -1.089 1.00 1.03 C ATOM 2528 CH2 TRP A 158 -1.488 17.949 -1.471 1.00 1.07 C ATOM 2529 OXT TRP A 158 -6.985 16.265 -6.123 1.00 1.47 O ATOM 0 H TRP A 158 -6.337 13.222 -4.491 1.00 0.45 H new ATOM 0 HA TRP A 158 -5.996 15.533 -3.123 1.00 0.54 H new ATOM 0 HB2 TRP A 158 -4.206 14.119 -4.106 1.00 0.62 H new ATOM 0 HB3 TRP A 158 -4.646 14.656 -5.715 1.00 0.62 H new ATOM 0 HD1 TRP A 158 -3.502 16.842 -6.586 1.00 0.98 H new ATOM 0 HE1 TRP A 158 -1.899 18.610 -5.594 1.00 1.04 H new ATOM 0 HE3 TRP A 158 -3.643 15.327 -1.710 1.00 0.81 H new ATOM 0 HZ2 TRP A 158 -0.834 19.217 -3.062 1.00 1.01 H new ATOM 0 HZ3 TRP A 158 -2.287 16.545 -0.055 1.00 1.03 H new ATOM 0 HH2 TRP A 158 -0.905 18.467 -0.724 1.00 1.07 H new TER 2540 TRP A 158