USER MOD reduce.3.24.130724 H: found=0, std=0, add=1211, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1212 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 38 SER OG : rot 129:sc= -0.663 USER MOD Set 1.2: A 157 LYS NZ :NH3+ -143:sc= -0.0585 (180deg=-0.296) USER MOD Set 2.1: A 17 GLN : amide:sc= -5.78! C(o=-12!,f=-15!) USER MOD Set 2.2: A 80 GLN :FLIP amide:sc= -5.99! C(o=-13!,f=-12!) USER MOD Set 3.1: A 48 GLN :FLIP amide:sc= -22! C(o=-28!,f=-27!) USER MOD Set 3.2: A 50 GLN :FLIP amide:sc= -4.54! C(o=-32!,f=-27!) USER MOD Single : A 1 THR N :NH3+ 139:sc= 0.035 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot -100:sc= -1.76! USER MOD Single : A 9 SER OG : rot -76:sc= -0.837! USER MOD Single : A 10 ASN : amide:sc= -7.88! C(o=-7.9!,f=-9.8!) USER MOD Single : A 13 SER OG : rot 153:sc= 0.616 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.371 F(o=-4!,f=-0.37) USER MOD Single : A 23 LYS NZ :NH3+ -121:sc= -5.91! (180deg=-7.43!) USER MOD Single : A 31 SER OG : rot -31:sc= -1.36! USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 35 THR OG1 : rot -167:sc= 0.109 USER MOD Single : A 37 SER OG : rot 180:sc= -0.12 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -96:sc= 1.21 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.72 K(o=-1.7,f=-4.1!) USER MOD Single : A 62 THR OG1 : rot 34:sc= 1.18 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.364 K(o=-0.36,f=-2.1) USER MOD Single : A 72 HIS : no HD1:sc= -3.5! C(o=-3.5!,f=-7.5!) USER MOD Single : A 73 THR OG1 : rot -16:sc= 0.659 USER MOD Single : A 74 GLN : amide:sc= 0.114 K(o=0.11,f=-0.76) USER MOD Single : A 79 GLN : amide:sc= -1.52 K(o=-1.5,f=-10!) USER MOD Single : A 93 THR OG1 : rot 90:sc= -2.49! USER MOD Single : A 99 MET CE :methyl -120:sc= -3.64 (180deg=-6.76!) USER MOD Single : A 103 ASN : amide:sc= -1.96 K(o=-2,f=-2.9!) USER MOD Single : A 107 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Single : A 108 THR OG1 : rot 171:sc= -4.86! USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-4.8!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -132:sc= -2.4 (180deg=-4.4!) USER MOD Single : A 119 LYS NZ :NH3+ 166:sc= -0.0478 (180deg=-0.244) USER MOD Single : A 120 ASN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 124 MET CE :methyl -176:sc= -3.95 (180deg=-4.05) USER MOD Single : A 142 MET CE :methyl -158:sc= -0.221 (180deg=-0.837) USER MOD Single : A 145 GLN :FLIP amide:sc= -3.67 F(o=-8.5!,f=-3.7) USER MOD Single : A 148 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.5!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 ASN : amide:sc= -0.223 K(o=-0.22,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.563 -13.863 -9.892 1.00 0.73 N ATOM 2 CA THR A 1 0.959 -13.266 -8.673 1.00 0.53 C ATOM 3 C THR A 1 0.936 -11.740 -8.757 1.00 0.47 C ATOM 4 O THR A 1 1.804 -11.128 -9.379 1.00 0.70 O ATOM 5 CB THR A 1 1.768 -13.720 -7.454 1.00 0.54 C ATOM 6 OG1 THR A 1 1.748 -15.132 -7.339 1.00 0.58 O ATOM 7 CG2 THR A 1 1.259 -13.149 -6.149 1.00 0.81 C ATOM 0 H1 THR A 1 2.180 -14.656 -9.621 1.00 0.73 H new ATOM 0 H2 THR A 1 0.809 -14.209 -10.519 1.00 0.73 H new ATOM 0 H3 THR A 1 2.124 -13.143 -10.390 1.00 0.73 H new ATOM 0 HA THR A 1 -0.074 -13.603 -8.584 1.00 0.53 H new ATOM 0 HB THR A 1 2.779 -13.349 -7.624 1.00 0.54 H new ATOM 0 HG1 THR A 1 2.271 -15.404 -6.556 1.00 0.58 H new ATOM 0 HG21 THR A 1 1.877 -13.511 -5.328 1.00 0.81 H new ATOM 0 HG22 THR A 1 1.305 -12.061 -6.185 1.00 0.81 H new ATOM 0 HG23 THR A 1 0.227 -13.463 -5.992 1.00 0.81 H new ATOM 17 N VAL A 2 -0.066 -11.133 -8.128 1.00 0.44 N ATOM 18 CA VAL A 2 -0.209 -9.682 -8.125 1.00 0.42 C ATOM 19 C VAL A 2 -0.194 -9.138 -6.697 1.00 0.38 C ATOM 20 O VAL A 2 -0.679 -9.788 -5.771 1.00 0.43 O ATOM 21 CB VAL A 2 -1.504 -9.253 -8.843 1.00 0.51 C ATOM 22 CG1 VAL A 2 -2.706 -9.982 -8.269 1.00 1.29 C ATOM 23 CG2 VAL A 2 -1.691 -7.746 -8.768 1.00 0.85 C ATOM 0 H VAL A 2 -0.794 -11.627 -7.612 1.00 0.44 H new ATOM 0 HA VAL A 2 0.640 -9.264 -8.666 1.00 0.42 H new ATOM 0 HB VAL A 2 -1.416 -9.527 -9.894 1.00 0.51 H new ATOM 0 HG11 VAL A 2 -3.608 -9.663 -8.791 1.00 1.29 H new ATOM 0 HG12 VAL A 2 -2.574 -11.057 -8.395 1.00 1.29 H new ATOM 0 HG13 VAL A 2 -2.800 -9.750 -7.208 1.00 1.29 H new ATOM 0 HG21 VAL A 2 -2.611 -7.468 -9.282 1.00 0.85 H new ATOM 0 HG22 VAL A 2 -1.751 -7.438 -7.724 1.00 0.85 H new ATOM 0 HG23 VAL A 2 -0.845 -7.250 -9.245 1.00 0.85 H new ATOM 33 N ALA A 3 0.393 -7.953 -6.523 1.00 0.38 N ATOM 34 CA ALA A 3 0.499 -7.337 -5.204 1.00 0.40 C ATOM 35 C ALA A 3 -0.431 -6.135 -5.048 1.00 0.40 C ATOM 36 O ALA A 3 -0.602 -5.337 -5.967 1.00 0.65 O ATOM 37 CB ALA A 3 1.938 -6.923 -4.939 1.00 0.43 C ATOM 0 H ALA A 3 0.801 -7.403 -7.279 1.00 0.38 H new ATOM 0 HA ALA A 3 0.189 -8.082 -4.471 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.009 -6.464 -3.953 1.00 0.43 H new ATOM 0 HB2 ALA A 3 2.582 -7.801 -4.978 1.00 0.43 H new ATOM 0 HB3 ALA A 3 2.256 -6.206 -5.696 1.00 0.43 H new ATOM 43 N TYR A 4 -1.013 -6.022 -3.862 1.00 0.25 N ATOM 44 CA TYR A 4 -1.929 -4.932 -3.525 1.00 0.24 C ATOM 45 C TYR A 4 -1.338 -4.123 -2.371 1.00 0.27 C ATOM 46 O TYR A 4 -1.623 -4.386 -1.204 1.00 0.35 O ATOM 47 CB TYR A 4 -3.286 -5.513 -3.143 1.00 0.25 C ATOM 48 CG TYR A 4 -3.895 -6.391 -4.219 1.00 0.27 C ATOM 49 CD1 TYR A 4 -3.262 -7.550 -4.634 1.00 0.55 C ATOM 50 CD2 TYR A 4 -5.103 -6.057 -4.821 1.00 0.62 C ATOM 51 CE1 TYR A 4 -3.814 -8.350 -5.613 1.00 0.61 C ATOM 52 CE2 TYR A 4 -5.660 -6.853 -5.800 1.00 0.66 C ATOM 53 CZ TYR A 4 -5.011 -7.999 -6.194 1.00 0.45 C ATOM 54 OH TYR A 4 -5.563 -8.799 -7.167 1.00 0.55 O ATOM 0 H TYR A 4 -0.865 -6.685 -3.101 1.00 0.25 H new ATOM 0 HA TYR A 4 -2.065 -4.272 -4.382 1.00 0.24 H new ATOM 0 HB2 TYR A 4 -3.178 -6.096 -2.228 1.00 0.25 H new ATOM 0 HB3 TYR A 4 -3.972 -4.696 -2.921 1.00 0.25 H new ATOM 0 HD1 TYR A 4 -2.321 -7.832 -4.184 1.00 0.55 H new ATOM 0 HD2 TYR A 4 -5.615 -5.156 -4.516 1.00 0.62 H new ATOM 0 HE1 TYR A 4 -3.307 -9.252 -5.923 1.00 0.61 H new ATOM 0 HE2 TYR A 4 -6.600 -6.578 -6.254 1.00 0.66 H new ATOM 0 HH TYR A 4 -5.372 -8.419 -8.050 1.00 0.55 H new ATOM 64 N ILE A 5 -0.470 -3.171 -2.711 1.00 0.28 N ATOM 65 CA ILE A 5 0.219 -2.354 -1.712 1.00 0.34 C ATOM 66 C ILE A 5 -0.415 -0.975 -1.533 1.00 0.34 C ATOM 67 O ILE A 5 -1.176 -0.512 -2.381 1.00 0.39 O ATOM 68 CB ILE A 5 1.696 -2.168 -2.113 1.00 0.41 C ATOM 69 CG1 ILE A 5 2.288 -3.505 -2.569 1.00 0.44 C ATOM 70 CG2 ILE A 5 2.500 -1.595 -0.954 1.00 0.53 C ATOM 71 CD1 ILE A 5 3.727 -3.410 -3.031 1.00 0.95 C ATOM 0 H ILE A 5 -0.226 -2.946 -3.675 1.00 0.28 H new ATOM 0 HA ILE A 5 0.136 -2.887 -0.765 1.00 0.34 H new ATOM 0 HB ILE A 5 1.746 -1.461 -2.941 1.00 0.41 H new ATOM 0 HG12 ILE A 5 2.226 -4.218 -1.747 1.00 0.44 H new ATOM 0 HG13 ILE A 5 1.681 -3.902 -3.382 1.00 0.44 H new ATOM 0 HG21 ILE A 5 3.539 -1.472 -1.258 1.00 0.53 H new ATOM 0 HG22 ILE A 5 2.088 -0.627 -0.669 1.00 0.53 H new ATOM 0 HG23 ILE A 5 2.449 -2.276 -0.104 1.00 0.53 H new ATOM 0 HD11 ILE A 5 4.076 -4.396 -3.338 1.00 0.95 H new ATOM 0 HD12 ILE A 5 3.794 -2.722 -3.874 1.00 0.95 H new ATOM 0 HD13 ILE A 5 4.348 -3.043 -2.214 1.00 0.95 H new ATOM 83 N ALA A 6 -0.073 -0.321 -0.421 1.00 0.40 N ATOM 84 CA ALA A 6 -0.574 1.014 -0.111 1.00 0.44 C ATOM 85 C ALA A 6 0.582 1.941 0.268 1.00 0.42 C ATOM 86 O ALA A 6 1.402 1.605 1.122 1.00 0.58 O ATOM 87 CB ALA A 6 -1.595 0.951 1.016 1.00 0.53 C ATOM 0 H ALA A 6 0.556 -0.702 0.285 1.00 0.40 H new ATOM 0 HA ALA A 6 -1.064 1.415 -0.998 1.00 0.44 H new ATOM 0 HB1 ALA A 6 -1.958 1.955 1.234 1.00 0.53 H new ATOM 0 HB2 ALA A 6 -2.431 0.320 0.715 1.00 0.53 H new ATOM 0 HB3 ALA A 6 -1.128 0.532 1.907 1.00 0.53 H new ATOM 93 N ILE A 7 0.653 3.097 -0.387 1.00 0.41 N ATOM 94 CA ILE A 7 1.724 4.062 -0.135 1.00 0.40 C ATOM 95 C ILE A 7 1.221 5.257 0.681 1.00 0.44 C ATOM 96 O ILE A 7 0.034 5.576 0.657 1.00 0.52 O ATOM 97 CB ILE A 7 2.335 4.567 -1.464 1.00 0.50 C ATOM 98 CG1 ILE A 7 2.982 3.414 -2.244 1.00 0.65 C ATOM 99 CG2 ILE A 7 3.355 5.665 -1.211 1.00 0.53 C ATOM 100 CD1 ILE A 7 1.989 2.429 -2.823 1.00 0.99 C ATOM 0 H ILE A 7 -0.018 3.390 -1.097 1.00 0.41 H new ATOM 0 HA ILE A 7 2.492 3.546 0.441 1.00 0.40 H new ATOM 0 HB ILE A 7 1.524 4.979 -2.065 1.00 0.50 H new ATOM 0 HG12 ILE A 7 3.582 3.829 -3.054 1.00 0.65 H new ATOM 0 HG13 ILE A 7 3.665 2.880 -1.583 1.00 0.65 H new ATOM 0 HG21 ILE A 7 3.769 6.003 -2.161 1.00 0.53 H new ATOM 0 HG22 ILE A 7 2.871 6.502 -0.708 1.00 0.53 H new ATOM 0 HG23 ILE A 7 4.157 5.279 -0.582 1.00 0.53 H new ATOM 0 HD11 ILE A 7 2.524 1.645 -3.359 1.00 0.99 H new ATOM 0 HD12 ILE A 7 1.406 1.984 -2.017 1.00 0.99 H new ATOM 0 HD13 ILE A 7 1.321 2.947 -3.511 1.00 0.99 H new ATOM 112 N GLY A 8 2.136 5.920 1.400 1.00 0.50 N ATOM 113 CA GLY A 8 1.762 7.076 2.202 1.00 0.61 C ATOM 114 C GLY A 8 2.936 8.008 2.417 1.00 0.62 C ATOM 115 O GLY A 8 4.027 7.557 2.766 1.00 0.90 O ATOM 0 H GLY A 8 3.125 5.675 1.439 1.00 0.50 H new ATOM 0 HA2 GLY A 8 0.954 7.616 1.709 1.00 0.61 H new ATOM 0 HA3 GLY A 8 1.380 6.742 3.167 1.00 0.61 H new ATOM 119 N SER A 9 2.737 9.305 2.188 1.00 0.56 N ATOM 120 CA SER A 9 3.831 10.261 2.346 1.00 0.63 C ATOM 121 C SER A 9 3.353 11.633 2.806 1.00 0.66 C ATOM 122 O SER A 9 2.171 11.962 2.694 1.00 0.77 O ATOM 123 CB SER A 9 4.565 10.399 1.021 1.00 0.77 C ATOM 124 OG SER A 9 4.903 9.126 0.498 1.00 1.58 O ATOM 0 H SER A 9 1.848 9.712 1.898 1.00 0.56 H new ATOM 0 HA SER A 9 4.494 9.876 3.121 1.00 0.63 H new ATOM 0 HB2 SER A 9 3.939 10.936 0.308 1.00 0.77 H new ATOM 0 HB3 SER A 9 5.469 10.991 1.161 1.00 0.77 H new ATOM 0 HG SER A 9 5.672 8.766 0.986 1.00 1.58 H new ATOM 130 N ASN A 10 4.293 12.438 3.315 1.00 0.69 N ATOM 131 CA ASN A 10 3.979 13.786 3.782 1.00 0.79 C ATOM 132 C ASN A 10 5.233 14.583 4.157 1.00 0.83 C ATOM 133 O ASN A 10 5.395 15.725 3.721 1.00 0.98 O ATOM 134 CB ASN A 10 3.020 13.732 4.963 1.00 0.99 C ATOM 135 CG ASN A 10 3.441 12.740 6.017 1.00 1.05 C ATOM 136 OD1 ASN A 10 4.499 12.869 6.632 1.00 2.01 O ATOM 137 ND2 ASN A 10 2.607 11.740 6.231 1.00 1.01 N ATOM 0 H ASN A 10 5.274 12.177 3.412 1.00 0.69 H new ATOM 0 HA ASN A 10 3.501 14.305 2.951 1.00 0.79 H new ATOM 0 HB2 ASN A 10 2.949 14.723 5.412 1.00 0.99 H new ATOM 0 HB3 ASN A 10 2.024 13.472 4.604 1.00 0.99 H new ATOM 0 HD21 ASN A 10 2.828 11.032 6.931 1.00 1.01 H new ATOM 0 HD22 ASN A 10 1.741 11.675 5.696 1.00 1.01 H new ATOM 144 N LEU A 11 6.115 13.996 4.969 1.00 0.83 N ATOM 145 CA LEU A 11 7.337 14.686 5.387 1.00 0.95 C ATOM 146 C LEU A 11 8.208 15.051 4.192 1.00 0.93 C ATOM 147 O LEU A 11 9.164 15.816 4.317 1.00 1.38 O ATOM 148 CB LEU A 11 8.145 13.839 6.379 1.00 1.12 C ATOM 149 CG LEU A 11 7.641 13.851 7.823 1.00 0.90 C ATOM 150 CD1 LEU A 11 8.520 12.972 8.698 1.00 1.77 C ATOM 151 CD2 LEU A 11 7.604 15.274 8.366 1.00 1.54 C ATOM 0 H LEU A 11 6.008 13.055 5.347 1.00 0.83 H new ATOM 0 HA LEU A 11 7.027 15.605 5.884 1.00 0.95 H new ATOM 0 HB2 LEU A 11 8.155 12.808 6.025 1.00 1.12 H new ATOM 0 HB3 LEU A 11 9.177 14.188 6.371 1.00 1.12 H new ATOM 0 HG LEU A 11 6.627 13.452 7.837 1.00 0.90 H new ATOM 0 HD11 LEU A 11 8.148 12.991 9.723 1.00 1.77 H new ATOM 0 HD12 LEU A 11 8.499 11.949 8.323 1.00 1.77 H new ATOM 0 HD13 LEU A 11 9.544 13.345 8.676 1.00 1.77 H new ATOM 0 HD21 LEU A 11 7.243 15.262 9.394 1.00 1.54 H new ATOM 0 HD22 LEU A 11 8.607 15.700 8.339 1.00 1.54 H new ATOM 0 HD23 LEU A 11 6.936 15.880 7.754 1.00 1.54 H new ATOM 163 N ALA A 12 7.867 14.504 3.035 1.00 0.84 N ATOM 164 CA ALA A 12 8.612 14.776 1.814 1.00 0.91 C ATOM 165 C ALA A 12 7.670 14.880 0.621 1.00 0.95 C ATOM 166 O ALA A 12 7.926 14.306 -0.439 1.00 1.72 O ATOM 167 CB ALA A 12 9.660 13.699 1.582 1.00 0.97 C ATOM 0 H ALA A 12 7.078 13.868 2.915 1.00 0.84 H new ATOM 0 HA ALA A 12 9.122 15.733 1.926 1.00 0.91 H new ATOM 0 HB1 ALA A 12 10.208 13.916 0.666 1.00 0.97 H new ATOM 0 HB2 ALA A 12 10.353 13.678 2.423 1.00 0.97 H new ATOM 0 HB3 ALA A 12 9.171 12.729 1.491 1.00 0.97 H new ATOM 173 N SER A 13 6.577 15.618 0.808 1.00 0.81 N ATOM 174 CA SER A 13 5.577 15.812 -0.237 1.00 0.79 C ATOM 175 C SER A 13 4.836 14.510 -0.542 1.00 0.71 C ATOM 176 O SER A 13 5.347 13.650 -1.261 1.00 0.71 O ATOM 177 CB SER A 13 6.227 16.360 -1.511 1.00 0.89 C ATOM 178 OG SER A 13 6.847 17.611 -1.270 1.00 1.47 O ATOM 0 H SER A 13 6.362 16.095 1.683 1.00 0.81 H new ATOM 0 HA SER A 13 4.852 16.539 0.129 1.00 0.79 H new ATOM 0 HB2 SER A 13 6.966 15.649 -1.880 1.00 0.89 H new ATOM 0 HB3 SER A 13 5.472 16.469 -2.290 1.00 0.89 H new ATOM 0 HG SER A 13 7.581 17.740 -1.906 1.00 1.47 H new ATOM 184 N PRO A 14 3.612 14.353 0.005 1.00 0.69 N ATOM 185 CA PRO A 14 2.781 13.158 -0.207 1.00 0.66 C ATOM 186 C PRO A 14 2.779 12.674 -1.654 1.00 0.67 C ATOM 187 O PRO A 14 2.594 11.489 -1.915 1.00 0.66 O ATOM 188 CB PRO A 14 1.392 13.652 0.166 1.00 0.68 C ATOM 189 CG PRO A 14 1.629 14.664 1.229 1.00 0.80 C ATOM 190 CD PRO A 14 2.931 15.337 0.876 1.00 0.78 C ATOM 0 HA PRO A 14 3.143 12.309 0.372 1.00 0.66 H new ATOM 0 HB2 PRO A 14 0.883 14.090 -0.692 1.00 0.68 H new ATOM 0 HB3 PRO A 14 0.765 12.837 0.527 1.00 0.68 H new ATOM 0 HG2 PRO A 14 0.814 15.387 1.269 1.00 0.80 H new ATOM 0 HG3 PRO A 14 1.686 14.193 2.211 1.00 0.80 H new ATOM 0 HD2 PRO A 14 2.765 16.282 0.359 1.00 0.78 H new ATOM 0 HD3 PRO A 14 3.520 15.559 1.765 1.00 0.78 H new ATOM 198 N LEU A 15 2.957 13.599 -2.590 1.00 0.73 N ATOM 199 CA LEU A 15 2.944 13.264 -4.010 1.00 0.78 C ATOM 200 C LEU A 15 4.305 12.788 -4.518 1.00 0.73 C ATOM 201 O LEU A 15 4.397 11.768 -5.201 1.00 0.79 O ATOM 202 CB LEU A 15 2.490 14.478 -4.824 1.00 0.92 C ATOM 203 CG LEU A 15 2.488 14.283 -6.343 1.00 0.98 C ATOM 204 CD1 LEU A 15 1.524 13.175 -6.738 1.00 1.00 C ATOM 205 CD2 LEU A 15 2.129 15.581 -7.048 1.00 1.15 C ATOM 0 H LEU A 15 3.112 14.587 -2.392 1.00 0.73 H new ATOM 0 HA LEU A 15 2.244 12.438 -4.137 1.00 0.78 H new ATOM 0 HB2 LEU A 15 1.483 14.751 -4.508 1.00 0.92 H new ATOM 0 HB3 LEU A 15 3.139 15.320 -4.583 1.00 0.92 H new ATOM 0 HG LEU A 15 3.491 13.991 -6.653 1.00 0.98 H new ATOM 0 HD11 LEU A 15 1.536 13.051 -7.821 1.00 1.00 H new ATOM 0 HD12 LEU A 15 1.827 12.242 -6.262 1.00 1.00 H new ATOM 0 HD13 LEU A 15 0.517 13.437 -6.414 1.00 1.00 H new ATOM 0 HD21 LEU A 15 2.133 15.422 -8.126 1.00 1.15 H new ATOM 0 HD22 LEU A 15 1.137 15.904 -6.732 1.00 1.15 H new ATOM 0 HD23 LEU A 15 2.859 16.348 -6.792 1.00 1.15 H new ATOM 217 N GLU A 16 5.354 13.545 -4.213 1.00 0.71 N ATOM 218 CA GLU A 16 6.699 13.222 -4.671 1.00 0.71 C ATOM 219 C GLU A 16 7.198 11.868 -4.179 1.00 0.63 C ATOM 220 O GLU A 16 8.034 11.246 -4.834 1.00 0.65 O ATOM 221 CB GLU A 16 7.661 14.311 -4.228 1.00 0.81 C ATOM 222 CG GLU A 16 7.473 15.619 -4.973 1.00 0.95 C ATOM 223 CD GLU A 16 8.520 16.653 -4.611 1.00 1.57 C ATOM 224 OE1 GLU A 16 8.607 17.019 -3.420 1.00 2.35 O ATOM 225 OE2 GLU A 16 9.255 17.098 -5.517 1.00 2.01 O ATOM 0 H GLU A 16 5.297 14.392 -3.647 1.00 0.71 H new ATOM 0 HA GLU A 16 6.655 13.163 -5.759 1.00 0.71 H new ATOM 0 HB2 GLU A 16 7.532 14.488 -3.160 1.00 0.81 H new ATOM 0 HB3 GLU A 16 8.684 13.963 -4.372 1.00 0.81 H new ATOM 0 HG2 GLU A 16 7.510 15.430 -6.046 1.00 0.95 H new ATOM 0 HG3 GLU A 16 6.483 16.018 -4.754 1.00 0.95 H new ATOM 232 N GLN A 17 6.716 11.412 -3.031 1.00 0.59 N ATOM 233 CA GLN A 17 7.173 10.134 -2.497 1.00 0.56 C ATOM 234 C GLN A 17 6.336 8.976 -3.028 1.00 0.55 C ATOM 235 O GLN A 17 6.779 7.829 -3.027 1.00 0.61 O ATOM 236 CB GLN A 17 7.140 10.150 -0.974 1.00 0.62 C ATOM 237 CG GLN A 17 7.915 11.302 -0.355 1.00 0.71 C ATOM 238 CD GLN A 17 9.381 11.296 -0.735 1.00 1.20 C ATOM 239 OE1 GLN A 17 9.737 11.485 -1.898 1.00 1.99 O ATOM 240 NE2 GLN A 17 10.243 11.073 0.249 1.00 1.63 N ATOM 0 H GLN A 17 6.023 11.895 -2.460 1.00 0.59 H new ATOM 0 HA GLN A 17 8.201 9.986 -2.829 1.00 0.56 H new ATOM 0 HB2 GLN A 17 6.103 10.203 -0.643 1.00 0.62 H new ATOM 0 HB3 GLN A 17 7.546 9.210 -0.601 1.00 0.62 H new ATOM 0 HG2 GLN A 17 7.467 12.245 -0.669 1.00 0.71 H new ATOM 0 HG3 GLN A 17 7.826 11.252 0.730 1.00 0.71 H new ATOM 0 HE21 GLN A 17 9.904 10.921 1.199 1.00 1.63 H new ATOM 0 HE22 GLN A 17 11.244 11.053 0.055 1.00 1.63 H new ATOM 249 N VAL A 18 5.128 9.287 -3.479 1.00 0.56 N ATOM 250 CA VAL A 18 4.230 8.274 -4.014 1.00 0.62 C ATOM 251 C VAL A 18 4.521 7.998 -5.487 1.00 0.60 C ATOM 252 O VAL A 18 4.213 6.918 -5.993 1.00 0.64 O ATOM 253 CB VAL A 18 2.757 8.694 -3.822 1.00 0.76 C ATOM 254 CG1 VAL A 18 1.809 7.789 -4.594 1.00 0.82 C ATOM 255 CG2 VAL A 18 2.411 8.679 -2.344 1.00 0.83 C ATOM 0 H VAL A 18 4.748 10.233 -3.485 1.00 0.56 H new ATOM 0 HA VAL A 18 4.402 7.351 -3.460 1.00 0.62 H new ATOM 0 HB VAL A 18 2.638 9.704 -4.215 1.00 0.76 H new ATOM 0 HG11 VAL A 18 0.782 8.117 -4.434 1.00 0.82 H new ATOM 0 HG12 VAL A 18 2.044 7.838 -5.657 1.00 0.82 H new ATOM 0 HG13 VAL A 18 1.921 6.762 -4.245 1.00 0.82 H new ATOM 0 HG21 VAL A 18 1.371 8.976 -2.211 1.00 0.83 H new ATOM 0 HG22 VAL A 18 2.555 7.674 -1.947 1.00 0.83 H new ATOM 0 HG23 VAL A 18 3.058 9.376 -1.812 1.00 0.83 H new ATOM 265 N ASN A 19 5.136 8.962 -6.170 1.00 0.60 N ATOM 266 CA ASN A 19 5.474 8.784 -7.576 1.00 0.64 C ATOM 267 C ASN A 19 6.540 7.702 -7.731 1.00 0.56 C ATOM 268 O ASN A 19 6.397 6.791 -8.544 1.00 0.63 O ATOM 269 CB ASN A 19 5.969 10.094 -8.194 1.00 0.72 C ATOM 270 CG ASN A 19 4.915 11.184 -8.170 1.00 0.82 C ATOM 271 OD1 ASN A 19 5.278 12.344 -7.639 1.00 0.92 O flip ATOM 272 ND2 ASN A 19 3.794 10.991 -8.640 1.00 0.84 N flip ATOM 0 H ASN A 19 5.407 9.863 -5.776 1.00 0.60 H new ATOM 0 HA ASN A 19 4.570 8.476 -8.102 1.00 0.64 H new ATOM 0 HB2 ASN A 19 6.852 10.435 -7.654 1.00 0.72 H new ATOM 0 HB3 ASN A 19 6.276 9.913 -9.224 1.00 0.72 H new ATOM 0 HD21 ASN A 19 3.558 10.082 -9.039 1.00 0.84 H new ATOM 0 HD22 ASN A 19 3.101 11.740 -8.631 1.00 0.84 H new ATOM 279 N ALA A 20 7.603 7.808 -6.936 1.00 0.47 N ATOM 280 CA ALA A 20 8.692 6.837 -6.978 1.00 0.42 C ATOM 281 C ALA A 20 8.311 5.564 -6.228 1.00 0.35 C ATOM 282 O ALA A 20 8.848 4.491 -6.497 1.00 0.36 O ATOM 283 CB ALA A 20 9.963 7.436 -6.396 1.00 0.43 C ATOM 0 H ALA A 20 7.732 8.557 -6.255 1.00 0.47 H new ATOM 0 HA ALA A 20 8.877 6.577 -8.020 1.00 0.42 H new ATOM 0 HB1 ALA A 20 10.764 6.698 -6.435 1.00 0.43 H new ATOM 0 HB2 ALA A 20 10.250 8.314 -6.975 1.00 0.43 H new ATOM 0 HB3 ALA A 20 9.787 7.726 -5.360 1.00 0.43 H new ATOM 289 N ALA A 21 7.376 5.694 -5.290 1.00 0.36 N ATOM 290 CA ALA A 21 6.911 4.553 -4.506 1.00 0.39 C ATOM 291 C ALA A 21 6.399 3.448 -5.419 1.00 0.41 C ATOM 292 O ALA A 21 6.815 2.295 -5.311 1.00 0.44 O ATOM 293 CB ALA A 21 5.824 4.994 -3.541 1.00 0.46 C ATOM 0 H ALA A 21 6.925 6.578 -5.054 1.00 0.36 H new ATOM 0 HA ALA A 21 7.750 4.158 -3.933 1.00 0.39 H new ATOM 0 HB1 ALA A 21 5.483 4.137 -2.960 1.00 0.46 H new ATOM 0 HB2 ALA A 21 6.221 5.753 -2.868 1.00 0.46 H new ATOM 0 HB3 ALA A 21 4.986 5.409 -4.102 1.00 0.46 H new ATOM 299 N LEU A 22 5.494 3.811 -6.323 1.00 0.47 N ATOM 300 CA LEU A 22 4.924 2.851 -7.262 1.00 0.53 C ATOM 301 C LEU A 22 5.813 2.680 -8.494 1.00 0.50 C ATOM 302 O LEU A 22 5.737 1.668 -9.188 1.00 0.64 O ATOM 303 CB LEU A 22 3.505 3.278 -7.667 1.00 0.70 C ATOM 304 CG LEU A 22 3.349 4.731 -8.128 1.00 0.81 C ATOM 305 CD1 LEU A 22 3.962 4.938 -9.506 1.00 1.28 C ATOM 306 CD2 LEU A 22 1.879 5.127 -8.135 1.00 1.35 C ATOM 0 H LEU A 22 5.140 4.762 -6.425 1.00 0.47 H new ATOM 0 HA LEU A 22 4.867 1.884 -6.762 1.00 0.53 H new ATOM 0 HB2 LEU A 22 3.165 2.624 -8.470 1.00 0.70 H new ATOM 0 HB3 LEU A 22 2.841 3.113 -6.819 1.00 0.70 H new ATOM 0 HG LEU A 22 3.882 5.370 -7.424 1.00 0.81 H new ATOM 0 HD11 LEU A 22 3.837 5.978 -9.808 1.00 1.28 H new ATOM 0 HD12 LEU A 22 5.024 4.696 -9.472 1.00 1.28 H new ATOM 0 HD13 LEU A 22 3.465 4.289 -10.227 1.00 1.28 H new ATOM 0 HD21 LEU A 22 1.782 6.162 -8.464 1.00 1.35 H new ATOM 0 HD22 LEU A 22 1.330 4.477 -8.816 1.00 1.35 H new ATOM 0 HD23 LEU A 22 1.470 5.027 -7.129 1.00 1.35 H new ATOM 318 N LYS A 23 6.649 3.675 -8.764 1.00 0.45 N ATOM 319 CA LYS A 23 7.544 3.630 -9.920 1.00 0.49 C ATOM 320 C LYS A 23 8.664 2.617 -9.704 1.00 0.43 C ATOM 321 O LYS A 23 9.081 1.929 -10.635 1.00 0.51 O ATOM 322 CB LYS A 23 8.125 5.026 -10.180 1.00 0.56 C ATOM 323 CG LYS A 23 8.865 5.168 -11.508 1.00 0.93 C ATOM 324 CD LYS A 23 10.256 4.543 -11.480 1.00 1.62 C ATOM 325 CE LYS A 23 11.211 5.304 -10.568 1.00 2.52 C ATOM 326 NZ LYS A 23 10.848 5.169 -9.130 1.00 3.23 N ATOM 0 H LYS A 23 6.728 4.522 -8.201 1.00 0.45 H new ATOM 0 HA LYS A 23 6.971 3.314 -10.792 1.00 0.49 H new ATOM 0 HB2 LYS A 23 7.314 5.754 -10.151 1.00 0.56 H new ATOM 0 HB3 LYS A 23 8.809 5.278 -9.369 1.00 0.56 H new ATOM 0 HG2 LYS A 23 8.277 4.700 -12.298 1.00 0.93 H new ATOM 0 HG3 LYS A 23 8.952 6.225 -11.759 1.00 0.93 H new ATOM 0 HD2 LYS A 23 10.181 3.509 -11.143 1.00 1.62 H new ATOM 0 HD3 LYS A 23 10.663 4.520 -12.491 1.00 1.62 H new ATOM 0 HE2 LYS A 23 12.226 4.936 -10.720 1.00 2.52 H new ATOM 0 HE3 LYS A 23 11.210 6.359 -10.843 1.00 2.52 H new ATOM 0 HZ1 LYS A 23 10.669 6.111 -8.727 1.00 3.23 H new ATOM 0 HZ2 LYS A 23 9.992 4.586 -9.041 1.00 3.23 H new ATOM 0 HZ3 LYS A 23 11.630 4.716 -8.616 1.00 3.23 H new ATOM 340 N ALA A 24 9.152 2.535 -8.470 1.00 0.37 N ATOM 341 CA ALA A 24 10.235 1.618 -8.132 1.00 0.41 C ATOM 342 C ALA A 24 9.803 0.160 -8.250 1.00 0.41 C ATOM 343 O ALA A 24 10.646 -0.736 -8.306 1.00 0.43 O ATOM 344 CB ALA A 24 10.744 1.905 -6.728 1.00 0.46 C ATOM 0 H ALA A 24 8.814 3.094 -7.686 1.00 0.37 H new ATOM 0 HA ALA A 24 11.041 1.780 -8.848 1.00 0.41 H new ATOM 0 HB1 ALA A 24 11.552 1.215 -6.486 1.00 0.46 H new ATOM 0 HB2 ALA A 24 11.114 2.929 -6.677 1.00 0.46 H new ATOM 0 HB3 ALA A 24 9.931 1.777 -6.013 1.00 0.46 H new ATOM 350 N LEU A 25 8.495 -0.079 -8.296 1.00 0.43 N ATOM 351 CA LEU A 25 7.979 -1.441 -8.412 1.00 0.48 C ATOM 352 C LEU A 25 8.248 -1.993 -9.806 1.00 0.49 C ATOM 353 O LEU A 25 8.297 -3.206 -10.005 1.00 0.57 O ATOM 354 CB LEU A 25 6.476 -1.469 -8.117 1.00 0.53 C ATOM 355 CG LEU A 25 6.063 -0.924 -6.746 1.00 0.70 C ATOM 356 CD1 LEU A 25 4.549 -0.916 -6.609 1.00 0.95 C ATOM 357 CD2 LEU A 25 6.689 -1.746 -5.630 1.00 1.00 C ATOM 0 H LEU A 25 7.778 0.645 -8.255 1.00 0.43 H new ATOM 0 HA LEU A 25 8.491 -2.067 -7.682 1.00 0.48 H new ATOM 0 HB2 LEU A 25 5.961 -0.894 -8.887 1.00 0.53 H new ATOM 0 HB3 LEU A 25 6.126 -2.498 -8.200 1.00 0.53 H new ATOM 0 HG LEU A 25 6.425 0.101 -6.664 1.00 0.70 H new ATOM 0 HD11 LEU A 25 4.274 -0.526 -5.629 1.00 0.95 H new ATOM 0 HD12 LEU A 25 4.117 -0.284 -7.385 1.00 0.95 H new ATOM 0 HD13 LEU A 25 4.169 -1.932 -6.714 1.00 0.95 H new ATOM 0 HD21 LEU A 25 6.383 -1.342 -4.665 1.00 1.00 H new ATOM 0 HD22 LEU A 25 6.358 -2.781 -5.711 1.00 1.00 H new ATOM 0 HD23 LEU A 25 7.775 -1.704 -5.713 1.00 1.00 H new ATOM 369 N GLY A 26 8.434 -1.092 -10.767 1.00 0.47 N ATOM 370 CA GLY A 26 8.710 -1.509 -12.127 1.00 0.53 C ATOM 371 C GLY A 26 10.152 -1.940 -12.302 1.00 0.50 C ATOM 372 O GLY A 26 10.507 -2.565 -13.302 1.00 0.64 O ATOM 0 H GLY A 26 8.398 -0.082 -10.626 1.00 0.47 H new ATOM 0 HA2 GLY A 26 8.049 -2.333 -12.396 1.00 0.53 H new ATOM 0 HA3 GLY A 26 8.490 -0.689 -12.810 1.00 0.53 H new ATOM 376 N ASP A 27 10.981 -1.606 -11.318 1.00 0.43 N ATOM 377 CA ASP A 27 12.395 -1.959 -11.349 1.00 0.46 C ATOM 378 C ASP A 27 12.677 -3.105 -10.382 1.00 0.41 C ATOM 379 O ASP A 27 13.697 -3.786 -10.490 1.00 0.56 O ATOM 380 CB ASP A 27 13.251 -0.741 -10.989 1.00 0.59 C ATOM 381 CG ASP A 27 14.735 -0.983 -11.196 1.00 1.05 C ATOM 382 OD1 ASP A 27 15.100 -2.064 -11.703 1.00 1.50 O ATOM 383 OD2 ASP A 27 15.534 -0.082 -10.859 1.00 1.48 O ATOM 0 H ASP A 27 10.696 -1.089 -10.486 1.00 0.43 H new ATOM 0 HA ASP A 27 12.651 -2.283 -12.358 1.00 0.46 H new ATOM 0 HB2 ASP A 27 12.938 0.109 -11.595 1.00 0.59 H new ATOM 0 HB3 ASP A 27 13.073 -0.473 -9.948 1.00 0.59 H new ATOM 388 N ILE A 28 11.760 -3.318 -9.440 1.00 0.37 N ATOM 389 CA ILE A 28 11.907 -4.386 -8.459 1.00 0.36 C ATOM 390 C ILE A 28 12.025 -5.744 -9.154 1.00 0.42 C ATOM 391 O ILE A 28 11.384 -5.989 -10.176 1.00 0.47 O ATOM 392 CB ILE A 28 10.725 -4.390 -7.458 1.00 0.41 C ATOM 393 CG1 ILE A 28 10.844 -3.203 -6.500 1.00 0.45 C ATOM 394 CG2 ILE A 28 10.656 -5.702 -6.685 1.00 0.47 C ATOM 395 CD1 ILE A 28 9.732 -3.136 -5.475 1.00 1.27 C ATOM 0 H ILE A 28 10.909 -2.765 -9.337 1.00 0.37 H new ATOM 0 HA ILE A 28 12.824 -4.203 -7.899 1.00 0.36 H new ATOM 0 HB ILE A 28 9.799 -4.294 -8.025 1.00 0.41 H new ATOM 0 HG12 ILE A 28 11.801 -3.260 -5.982 1.00 0.45 H new ATOM 0 HG13 ILE A 28 10.849 -2.279 -7.079 1.00 0.45 H new ATOM 0 HG21 ILE A 28 9.816 -5.672 -5.991 1.00 0.47 H new ATOM 0 HG22 ILE A 28 10.521 -6.529 -7.383 1.00 0.47 H new ATOM 0 HG23 ILE A 28 11.582 -5.845 -6.128 1.00 0.47 H new ATOM 0 HD11 ILE A 28 9.883 -2.270 -4.831 1.00 1.27 H new ATOM 0 HD12 ILE A 28 8.772 -3.047 -5.984 1.00 1.27 H new ATOM 0 HD13 ILE A 28 9.739 -4.043 -4.871 1.00 1.27 H new ATOM 407 N PRO A 29 12.867 -6.641 -8.612 1.00 0.49 N ATOM 408 CA PRO A 29 13.087 -7.976 -9.185 1.00 0.65 C ATOM 409 C PRO A 29 11.821 -8.833 -9.222 1.00 0.73 C ATOM 410 O PRO A 29 11.058 -8.880 -8.258 1.00 0.77 O ATOM 411 CB PRO A 29 14.124 -8.607 -8.245 1.00 0.75 C ATOM 412 CG PRO A 29 14.037 -7.813 -6.985 1.00 0.74 C ATOM 413 CD PRO A 29 13.687 -6.419 -7.411 1.00 0.51 C ATOM 0 HA PRO A 29 13.408 -7.909 -10.224 1.00 0.65 H new ATOM 0 HB2 PRO A 29 13.904 -9.659 -8.064 1.00 0.75 H new ATOM 0 HB3 PRO A 29 15.125 -8.559 -8.673 1.00 0.75 H new ATOM 0 HG2 PRO A 29 13.279 -8.221 -6.316 1.00 0.74 H new ATOM 0 HG3 PRO A 29 14.983 -7.832 -6.444 1.00 0.74 H new ATOM 0 HD2 PRO A 29 13.135 -5.886 -6.637 1.00 0.51 H new ATOM 0 HD3 PRO A 29 14.576 -5.828 -7.632 1.00 0.51 H new ATOM 421 N GLU A 30 11.626 -9.523 -10.345 1.00 0.83 N ATOM 422 CA GLU A 30 10.476 -10.410 -10.536 1.00 0.95 C ATOM 423 C GLU A 30 9.144 -9.692 -10.322 1.00 0.84 C ATOM 424 O GLU A 30 8.135 -10.333 -10.037 1.00 1.18 O ATOM 425 CB GLU A 30 10.574 -11.604 -9.586 1.00 1.17 C ATOM 426 CG GLU A 30 11.856 -12.402 -9.746 1.00 1.47 C ATOM 427 CD GLU A 30 11.999 -13.013 -11.125 1.00 2.16 C ATOM 428 OE1 GLU A 30 11.129 -13.824 -11.509 1.00 2.84 O ATOM 429 OE2 GLU A 30 12.980 -12.680 -11.824 1.00 2.65 O ATOM 0 H GLU A 30 12.257 -9.484 -11.146 1.00 0.83 H new ATOM 0 HA GLU A 30 10.502 -10.752 -11.571 1.00 0.95 H new ATOM 0 HB2 GLU A 30 10.503 -11.247 -8.558 1.00 1.17 H new ATOM 0 HB3 GLU A 30 9.722 -12.263 -9.754 1.00 1.17 H new ATOM 0 HG2 GLU A 30 12.709 -11.753 -9.551 1.00 1.47 H new ATOM 0 HG3 GLU A 30 11.881 -13.195 -8.998 1.00 1.47 H new ATOM 436 N SER A 31 9.138 -8.372 -10.464 1.00 0.60 N ATOM 437 CA SER A 31 7.909 -7.601 -10.285 1.00 0.54 C ATOM 438 C SER A 31 7.550 -6.829 -11.547 1.00 0.47 C ATOM 439 O SER A 31 8.424 -6.470 -12.338 1.00 0.59 O ATOM 440 CB SER A 31 8.049 -6.628 -9.115 1.00 0.57 C ATOM 441 OG SER A 31 8.994 -5.622 -9.410 1.00 1.37 O ATOM 0 H SER A 31 9.960 -7.816 -10.700 1.00 0.60 H new ATOM 0 HA SER A 31 7.109 -8.309 -10.071 1.00 0.54 H new ATOM 0 HB2 SER A 31 7.083 -6.173 -8.897 1.00 0.57 H new ATOM 0 HB3 SER A 31 8.355 -7.170 -8.220 1.00 0.57 H new ATOM 0 HG SER A 31 9.680 -5.983 -10.009 1.00 1.37 H new ATOM 447 N HIS A 32 6.256 -6.577 -11.734 1.00 0.38 N ATOM 448 CA HIS A 32 5.787 -5.848 -12.908 1.00 0.42 C ATOM 449 C HIS A 32 4.396 -5.265 -12.683 1.00 0.39 C ATOM 450 O HIS A 32 3.397 -5.959 -12.850 1.00 0.39 O ATOM 451 CB HIS A 32 5.759 -6.779 -14.117 1.00 0.52 C ATOM 452 CG HIS A 32 5.454 -6.083 -15.405 1.00 1.10 C ATOM 453 ND1 HIS A 32 6.236 -5.067 -15.919 1.00 1.90 N ATOM 454 CD2 HIS A 32 4.445 -6.261 -16.292 1.00 1.90 C ATOM 455 CE1 HIS A 32 5.720 -4.651 -17.061 1.00 2.46 C ATOM 456 NE2 HIS A 32 4.634 -5.360 -17.309 1.00 2.42 N ATOM 0 H HIS A 32 5.518 -6.865 -11.091 1.00 0.38 H new ATOM 0 HA HIS A 32 6.477 -5.024 -13.089 1.00 0.42 H new ATOM 0 HB2 HIS A 32 6.725 -7.277 -14.203 1.00 0.52 H new ATOM 0 HB3 HIS A 32 5.013 -7.556 -13.949 1.00 0.52 H new ATOM 0 HD2 HIS A 32 3.642 -6.979 -16.213 1.00 1.90 H new ATOM 0 HE1 HIS A 32 6.118 -3.865 -17.686 1.00 2.46 H new ATOM 0 HE2 HIS A 32 4.032 -5.255 -18.126 1.00 2.42 H new ATOM 465 N ILE A 33 4.330 -3.987 -12.314 1.00 0.42 N ATOM 466 CA ILE A 33 3.044 -3.337 -12.082 1.00 0.42 C ATOM 467 C ILE A 33 2.121 -3.502 -13.284 1.00 0.41 C ATOM 468 O ILE A 33 2.430 -3.058 -14.389 1.00 0.48 O ATOM 469 CB ILE A 33 3.205 -1.837 -11.748 1.00 0.51 C ATOM 470 CG1 ILE A 33 3.588 -1.674 -10.276 1.00 0.61 C ATOM 471 CG2 ILE A 33 1.926 -1.069 -12.059 1.00 0.79 C ATOM 472 CD1 ILE A 33 3.686 -0.232 -9.831 1.00 0.70 C ATOM 0 H ILE A 33 5.143 -3.388 -12.171 1.00 0.42 H new ATOM 0 HA ILE A 33 2.596 -3.829 -11.219 1.00 0.42 H new ATOM 0 HB ILE A 33 4.000 -1.424 -12.369 1.00 0.51 H new ATOM 0 HG12 ILE A 33 2.850 -2.186 -9.659 1.00 0.61 H new ATOM 0 HG13 ILE A 33 4.546 -2.165 -10.102 1.00 0.61 H new ATOM 0 HG21 ILE A 33 2.066 -0.016 -11.815 1.00 0.79 H new ATOM 0 HG22 ILE A 33 1.691 -1.168 -13.119 1.00 0.79 H new ATOM 0 HG23 ILE A 33 1.106 -1.473 -11.466 1.00 0.79 H new ATOM 0 HD11 ILE A 33 3.961 -0.194 -8.777 1.00 0.70 H new ATOM 0 HD12 ILE A 33 4.444 0.281 -10.423 1.00 0.70 H new ATOM 0 HD13 ILE A 33 2.723 0.259 -9.972 1.00 0.70 H new ATOM 484 N LEU A 34 0.987 -4.148 -13.048 1.00 0.39 N ATOM 485 CA LEU A 34 0.006 -4.388 -14.096 1.00 0.40 C ATOM 486 C LEU A 34 -0.922 -3.182 -14.239 1.00 0.37 C ATOM 487 O LEU A 34 -1.208 -2.736 -15.350 1.00 0.50 O ATOM 488 CB LEU A 34 -0.790 -5.661 -13.766 1.00 0.43 C ATOM 489 CG LEU A 34 -1.584 -6.286 -14.924 1.00 0.66 C ATOM 490 CD1 LEU A 34 -2.701 -5.368 -15.392 1.00 1.42 C ATOM 491 CD2 LEU A 34 -0.659 -6.632 -16.082 1.00 1.39 C ATOM 0 H LEU A 34 0.723 -4.517 -12.134 1.00 0.39 H new ATOM 0 HA LEU A 34 0.517 -4.530 -15.048 1.00 0.40 H new ATOM 0 HB2 LEU A 34 -0.096 -6.409 -13.384 1.00 0.43 H new ATOM 0 HB3 LEU A 34 -1.486 -5.430 -12.959 1.00 0.43 H new ATOM 0 HG LEU A 34 -2.040 -7.204 -14.554 1.00 0.66 H new ATOM 0 HD11 LEU A 34 -3.242 -5.841 -16.212 1.00 1.42 H new ATOM 0 HD12 LEU A 34 -3.387 -5.179 -14.566 1.00 1.42 H new ATOM 0 HD13 LEU A 34 -2.277 -4.424 -15.735 1.00 1.42 H new ATOM 0 HD21 LEU A 34 -1.240 -7.073 -16.892 1.00 1.39 H new ATOM 0 HD22 LEU A 34 -0.168 -5.726 -16.439 1.00 1.39 H new ATOM 0 HD23 LEU A 34 0.094 -7.344 -15.746 1.00 1.39 H new ATOM 503 N THR A 35 -1.382 -2.654 -13.106 1.00 0.30 N ATOM 504 CA THR A 35 -2.274 -1.494 -13.107 1.00 0.33 C ATOM 505 C THR A 35 -1.811 -0.437 -12.107 1.00 0.34 C ATOM 506 O THR A 35 -1.024 -0.721 -11.204 1.00 0.44 O ATOM 507 CB THR A 35 -3.703 -1.923 -12.771 1.00 0.39 C ATOM 508 OG1 THR A 35 -3.749 -2.561 -11.508 1.00 0.97 O ATOM 509 CG2 THR A 35 -4.301 -2.870 -13.787 1.00 0.93 C ATOM 0 H THR A 35 -1.153 -3.009 -12.178 1.00 0.30 H new ATOM 0 HA THR A 35 -2.249 -1.059 -14.106 1.00 0.33 H new ATOM 0 HB THR A 35 -4.288 -1.003 -12.772 1.00 0.39 H new ATOM 0 HG1 THR A 35 -4.613 -3.010 -11.400 1.00 0.97 H new ATOM 0 HG21 THR A 35 -5.315 -3.133 -13.486 1.00 0.93 H new ATOM 0 HG22 THR A 35 -4.326 -2.387 -14.764 1.00 0.93 H new ATOM 0 HG23 THR A 35 -3.694 -3.773 -13.844 1.00 0.93 H new ATOM 517 N VAL A 36 -2.313 0.787 -12.276 1.00 0.33 N ATOM 518 CA VAL A 36 -1.963 1.897 -11.394 1.00 0.39 C ATOM 519 C VAL A 36 -3.185 2.760 -11.092 1.00 0.36 C ATOM 520 O VAL A 36 -3.916 3.154 -12.000 1.00 0.38 O ATOM 521 CB VAL A 36 -0.868 2.790 -12.013 1.00 0.51 C ATOM 522 CG1 VAL A 36 -0.489 3.914 -11.061 1.00 1.05 C ATOM 523 CG2 VAL A 36 0.355 1.967 -12.385 1.00 1.21 C ATOM 0 H VAL A 36 -2.966 1.034 -13.020 1.00 0.33 H new ATOM 0 HA VAL A 36 -1.585 1.458 -10.471 1.00 0.39 H new ATOM 0 HB VAL A 36 -1.268 3.234 -12.924 1.00 0.51 H new ATOM 0 HG11 VAL A 36 0.285 4.532 -11.517 1.00 1.05 H new ATOM 0 HG12 VAL A 36 -1.367 4.526 -10.853 1.00 1.05 H new ATOM 0 HG13 VAL A 36 -0.113 3.491 -10.130 1.00 1.05 H new ATOM 0 HG21 VAL A 36 1.113 2.618 -12.819 1.00 1.21 H new ATOM 0 HG22 VAL A 36 0.756 1.488 -11.492 1.00 1.21 H new ATOM 0 HG23 VAL A 36 0.073 1.204 -13.111 1.00 1.21 H new ATOM 533 N SER A 37 -3.400 3.057 -9.811 1.00 0.35 N ATOM 534 CA SER A 37 -4.533 3.882 -9.400 1.00 0.35 C ATOM 535 C SER A 37 -4.242 5.361 -9.663 1.00 0.40 C ATOM 536 O SER A 37 -3.956 5.746 -10.797 1.00 0.72 O ATOM 537 CB SER A 37 -4.853 3.646 -7.919 1.00 0.36 C ATOM 538 OG SER A 37 -5.974 4.411 -7.510 1.00 1.35 O ATOM 0 H SER A 37 -2.807 2.740 -9.044 1.00 0.35 H new ATOM 0 HA SER A 37 -5.404 3.597 -9.990 1.00 0.35 H new ATOM 0 HB2 SER A 37 -5.051 2.587 -7.751 1.00 0.36 H new ATOM 0 HB3 SER A 37 -3.988 3.909 -7.311 1.00 0.36 H new ATOM 0 HG SER A 37 -6.158 4.241 -6.562 1.00 1.35 H new ATOM 544 N SER A 38 -4.311 6.192 -8.622 1.00 0.43 N ATOM 545 CA SER A 38 -4.045 7.620 -8.770 1.00 0.45 C ATOM 546 C SER A 38 -3.382 8.179 -7.510 1.00 0.47 C ATOM 547 O SER A 38 -2.441 7.582 -6.988 1.00 0.70 O ATOM 548 CB SER A 38 -5.346 8.368 -9.077 1.00 0.50 C ATOM 549 OG SER A 38 -5.092 9.729 -9.381 1.00 1.19 O ATOM 0 H SER A 38 -4.548 5.901 -7.673 1.00 0.43 H new ATOM 0 HA SER A 38 -3.357 7.763 -9.603 1.00 0.45 H new ATOM 0 HB2 SER A 38 -5.853 7.893 -9.917 1.00 0.50 H new ATOM 0 HB3 SER A 38 -6.018 8.302 -8.221 1.00 0.50 H new ATOM 0 HG SER A 38 -5.534 9.964 -10.224 1.00 1.19 H new ATOM 555 N PHE A 39 -3.873 9.317 -7.015 1.00 0.38 N ATOM 556 CA PHE A 39 -3.315 9.928 -5.808 1.00 0.43 C ATOM 557 C PHE A 39 -4.434 10.552 -4.993 1.00 0.40 C ATOM 558 O PHE A 39 -4.858 11.672 -5.266 1.00 0.65 O ATOM 559 CB PHE A 39 -2.268 10.996 -6.149 1.00 0.59 C ATOM 560 CG PHE A 39 -1.237 10.548 -7.147 1.00 1.42 C ATOM 561 CD1 PHE A 39 -1.520 10.557 -8.503 1.00 1.93 C ATOM 562 CD2 PHE A 39 0.014 10.123 -6.729 1.00 2.21 C ATOM 563 CE1 PHE A 39 -0.573 10.149 -9.424 1.00 2.75 C ATOM 564 CE2 PHE A 39 0.964 9.716 -7.647 1.00 3.01 C ATOM 565 CZ PHE A 39 0.668 9.712 -8.989 1.00 3.17 C ATOM 0 H PHE A 39 -4.651 9.831 -7.429 1.00 0.38 H new ATOM 0 HA PHE A 39 -2.821 9.147 -5.230 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -2.777 11.877 -6.539 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -1.763 11.300 -5.232 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -2.490 10.886 -8.844 1.00 1.93 H new ATOM 0 HD2 PHE A 39 0.249 10.110 -5.675 1.00 2.21 H new ATOM 0 HE1 PHE A 39 -0.800 10.171 -10.480 1.00 2.75 H new ATOM 0 HE2 PHE A 39 1.940 9.401 -7.309 1.00 3.01 H new ATOM 0 HZ PHE A 39 1.401 9.369 -9.704 1.00 3.17 H new ATOM 575 N TYR A 40 -4.923 9.813 -4.008 1.00 0.38 N ATOM 576 CA TYR A 40 -6.016 10.288 -3.175 1.00 0.37 C ATOM 577 C TYR A 40 -5.513 10.977 -1.916 1.00 0.40 C ATOM 578 O TYR A 40 -4.644 10.457 -1.215 1.00 0.53 O ATOM 579 CB TYR A 40 -6.935 9.125 -2.790 1.00 0.44 C ATOM 580 CG TYR A 40 -7.517 8.375 -3.971 1.00 0.49 C ATOM 581 CD1 TYR A 40 -6.692 7.676 -4.843 1.00 0.49 C ATOM 582 CD2 TYR A 40 -8.884 8.372 -4.220 1.00 0.59 C ATOM 583 CE1 TYR A 40 -7.212 6.995 -5.928 1.00 0.57 C ATOM 584 CE2 TYR A 40 -9.413 7.692 -5.302 1.00 0.67 C ATOM 585 CZ TYR A 40 -8.595 6.989 -6.130 1.00 0.66 C ATOM 586 OH TYR A 40 -9.094 6.328 -7.230 1.00 0.76 O ATOM 0 H TYR A 40 -4.580 8.883 -3.767 1.00 0.38 H new ATOM 0 HA TYR A 40 -6.573 11.019 -3.760 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -6.376 8.425 -2.169 1.00 0.44 H new ATOM 0 HB3 TYR A 40 -7.752 9.509 -2.180 1.00 0.44 H new ATOM 0 HD1 TYR A 40 -5.626 7.664 -4.670 1.00 0.49 H new ATOM 0 HD2 TYR A 40 -9.545 8.910 -3.557 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -6.558 6.474 -6.611 1.00 0.57 H new ATOM 0 HE2 TYR A 40 -10.476 7.719 -5.489 1.00 0.67 H new ATOM 0 HH TYR A 40 -10.071 6.406 -7.243 1.00 0.76 H new ATOM 596 N ARG A 41 -6.085 12.136 -1.618 1.00 0.43 N ATOM 597 CA ARG A 41 -5.718 12.880 -0.423 1.00 0.50 C ATOM 598 C ARG A 41 -6.510 12.318 0.750 1.00 0.54 C ATOM 599 O ARG A 41 -7.727 12.483 0.825 1.00 0.67 O ATOM 600 CB ARG A 41 -6.008 14.374 -0.604 1.00 0.66 C ATOM 601 CG ARG A 41 -5.345 15.266 0.435 1.00 0.69 C ATOM 602 CD ARG A 41 -5.749 16.721 0.248 1.00 0.94 C ATOM 603 NE ARG A 41 -5.226 17.585 1.304 1.00 1.56 N ATOM 604 CZ ARG A 41 -5.612 17.515 2.576 1.00 2.07 C ATOM 605 NH1 ARG A 41 -6.531 16.633 2.949 1.00 2.32 N ATOM 606 NH2 ARG A 41 -5.080 18.331 3.477 1.00 2.95 N ATOM 0 H ARG A 41 -6.805 12.580 -2.188 1.00 0.43 H new ATOM 0 HA ARG A 41 -4.649 12.775 -0.235 1.00 0.50 H new ATOM 0 HB2 ARG A 41 -5.675 14.680 -1.596 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -7.086 14.531 -0.567 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -5.624 14.934 1.435 1.00 0.69 H new ATOM 0 HG3 ARG A 41 -4.262 15.174 0.359 1.00 0.69 H new ATOM 0 HD2 ARG A 41 -5.388 17.074 -0.718 1.00 0.94 H new ATOM 0 HD3 ARG A 41 -6.836 16.794 0.228 1.00 0.94 H new ATOM 0 HE ARG A 41 -4.525 18.282 1.052 1.00 1.56 H new ATOM 0 HH11 ARG A 41 -6.945 16.005 2.260 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -6.824 16.583 3.925 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -4.375 19.012 3.195 1.00 2.95 H new ATOM 0 HH22 ARG A 41 -5.376 18.277 4.452 1.00 2.95 H new ATOM 620 N THR A 42 -5.817 11.628 1.647 1.00 0.61 N ATOM 621 CA THR A 42 -6.469 11.012 2.800 1.00 0.73 C ATOM 622 C THR A 42 -5.452 10.687 3.893 1.00 0.84 C ATOM 623 O THR A 42 -4.308 10.340 3.605 1.00 1.10 O ATOM 624 CB THR A 42 -7.204 9.745 2.363 1.00 0.81 C ATOM 625 OG1 THR A 42 -7.937 9.193 3.441 1.00 1.30 O ATOM 626 CG2 THR A 42 -6.283 8.667 1.832 1.00 1.28 C ATOM 0 H THR A 42 -4.809 11.480 1.601 1.00 0.61 H new ATOM 0 HA THR A 42 -7.189 11.720 3.211 1.00 0.73 H new ATOM 0 HB THR A 42 -7.866 10.061 1.556 1.00 0.81 H new ATOM 0 HG1 THR A 42 -7.406 8.492 3.873 1.00 1.30 H new ATOM 0 HG21 THR A 42 -6.871 7.797 1.541 1.00 1.28 H new ATOM 0 HG22 THR A 42 -5.741 9.046 0.965 1.00 1.28 H new ATOM 0 HG23 THR A 42 -5.572 8.381 2.607 1.00 1.28 H new ATOM 634 N PRO A 43 -5.859 10.815 5.172 1.00 0.74 N ATOM 635 CA PRO A 43 -4.980 10.560 6.324 1.00 0.86 C ATOM 636 C PRO A 43 -4.230 9.240 6.237 1.00 0.90 C ATOM 637 O PRO A 43 -4.841 8.178 6.221 1.00 0.94 O ATOM 638 CB PRO A 43 -5.948 10.545 7.507 1.00 0.98 C ATOM 639 CG PRO A 43 -7.067 11.430 7.085 1.00 0.87 C ATOM 640 CD PRO A 43 -7.207 11.238 5.599 1.00 0.71 C ATOM 0 HA PRO A 43 -4.194 11.311 6.395 1.00 0.86 H new ATOM 0 HB2 PRO A 43 -6.299 9.535 7.719 1.00 0.98 H new ATOM 0 HB3 PRO A 43 -5.471 10.914 8.415 1.00 0.98 H new ATOM 0 HG2 PRO A 43 -7.990 11.166 7.602 1.00 0.87 H new ATOM 0 HG3 PRO A 43 -6.854 12.471 7.326 1.00 0.87 H new ATOM 0 HD2 PRO A 43 -7.957 10.484 5.362 1.00 0.71 H new ATOM 0 HD3 PRO A 43 -7.513 12.159 5.103 1.00 0.71 H new ATOM 648 N PRO A 44 -2.883 9.279 6.194 1.00 0.98 N ATOM 649 CA PRO A 44 -2.077 8.064 6.123 1.00 1.12 C ATOM 650 C PRO A 44 -2.005 7.336 7.471 1.00 1.19 C ATOM 651 O PRO A 44 -1.353 6.298 7.590 1.00 2.06 O ATOM 652 CB PRO A 44 -0.691 8.555 5.688 1.00 1.28 C ATOM 653 CG PRO A 44 -0.819 10.030 5.455 1.00 1.18 C ATOM 654 CD PRO A 44 -2.033 10.481 6.213 1.00 1.03 C ATOM 0 HA PRO A 44 -2.505 7.337 5.432 1.00 1.12 H new ATOM 0 HB2 PRO A 44 0.054 8.346 6.456 1.00 1.28 H new ATOM 0 HB3 PRO A 44 -0.365 8.045 4.781 1.00 1.28 H new ATOM 0 HG2 PRO A 44 0.071 10.555 5.801 1.00 1.18 H new ATOM 0 HG3 PRO A 44 -0.924 10.247 4.392 1.00 1.18 H new ATOM 0 HD2 PRO A 44 -1.786 10.788 7.229 1.00 1.03 H new ATOM 0 HD3 PRO A 44 -2.519 11.330 5.733 1.00 1.03 H new ATOM 662 N LEU A 45 -2.696 7.886 8.477 1.00 0.99 N ATOM 663 CA LEU A 45 -2.742 7.298 9.824 1.00 1.03 C ATOM 664 C LEU A 45 -1.410 7.413 10.555 1.00 1.08 C ATOM 665 O LEU A 45 -0.445 6.729 10.217 1.00 1.32 O ATOM 666 CB LEU A 45 -3.174 5.825 9.775 1.00 1.15 C ATOM 667 CG LEU A 45 -4.658 5.570 9.496 1.00 1.53 C ATOM 668 CD1 LEU A 45 -5.529 6.300 10.505 1.00 1.83 C ATOM 669 CD2 LEU A 45 -5.022 5.973 8.077 1.00 2.21 C ATOM 0 H LEU A 45 -3.236 8.746 8.383 1.00 0.99 H new ATOM 0 HA LEU A 45 -3.483 7.872 10.380 1.00 1.03 H new ATOM 0 HB2 LEU A 45 -2.588 5.320 9.007 1.00 1.15 H new ATOM 0 HB3 LEU A 45 -2.919 5.360 10.727 1.00 1.15 H new ATOM 0 HG LEU A 45 -4.841 4.500 9.599 1.00 1.53 H new ATOM 0 HD11 LEU A 45 -6.579 6.105 10.288 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -5.295 5.948 11.510 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -5.339 7.371 10.442 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -6.081 5.782 7.905 1.00 2.21 H new ATOM 0 HD22 LEU A 45 -4.817 7.034 7.936 1.00 2.21 H new ATOM 0 HD23 LEU A 45 -4.429 5.392 7.370 1.00 2.21 H new ATOM 681 N GLY A 46 -1.376 8.265 11.578 1.00 1.09 N ATOM 682 CA GLY A 46 -0.167 8.438 12.363 1.00 1.18 C ATOM 683 C GLY A 46 0.237 9.894 12.534 1.00 1.11 C ATOM 684 O GLY A 46 -0.553 10.799 12.265 1.00 1.19 O ATOM 0 H GLY A 46 -2.165 8.838 11.876 1.00 1.09 H new ATOM 0 HA2 GLY A 46 -0.314 7.991 13.346 1.00 1.18 H new ATOM 0 HA3 GLY A 46 0.649 7.896 11.885 1.00 1.18 H new ATOM 688 N PRO A 47 1.468 10.142 13.011 1.00 1.12 N ATOM 689 CA PRO A 47 1.987 11.486 13.243 1.00 1.16 C ATOM 690 C PRO A 47 2.828 12.042 12.076 1.00 1.14 C ATOM 691 O PRO A 47 2.280 12.368 11.028 1.00 1.99 O ATOM 692 CB PRO A 47 2.859 11.265 14.469 1.00 1.36 C ATOM 693 CG PRO A 47 3.347 9.846 14.372 1.00 1.39 C ATOM 694 CD PRO A 47 2.449 9.121 13.403 1.00 1.26 C ATOM 0 HA PRO A 47 1.191 12.222 13.357 1.00 1.16 H new ATOM 0 HB2 PRO A 47 3.694 11.966 14.487 1.00 1.36 H new ATOM 0 HB3 PRO A 47 2.292 11.422 15.386 1.00 1.36 H new ATOM 0 HG2 PRO A 47 4.381 9.819 14.029 1.00 1.39 H new ATOM 0 HG3 PRO A 47 3.323 9.365 15.350 1.00 1.39 H new ATOM 0 HD2 PRO A 47 3.005 8.748 12.543 1.00 1.26 H new ATOM 0 HD3 PRO A 47 1.968 8.261 13.869 1.00 1.26 H new ATOM 702 N GLN A 48 4.155 12.142 12.305 1.00 0.95 N ATOM 703 CA GLN A 48 5.171 12.651 11.354 1.00 0.84 C ATOM 704 C GLN A 48 4.867 14.044 10.822 1.00 0.90 C ATOM 705 O GLN A 48 5.695 14.949 10.933 1.00 1.04 O ATOM 706 CB GLN A 48 5.476 11.680 10.194 1.00 0.83 C ATOM 707 CG GLN A 48 4.290 11.007 9.538 1.00 1.00 C ATOM 708 CD GLN A 48 3.743 9.884 10.390 1.00 1.29 C ATOM 709 OE1 GLN A 48 2.433 9.855 10.567 1.00 2.23 O flip ATOM 710 NE2 GLN A 48 4.500 9.043 10.876 1.00 1.15 N flip ATOM 0 H GLN A 48 4.566 11.859 13.194 1.00 0.95 H new ATOM 0 HA GLN A 48 6.075 12.726 11.958 1.00 0.84 H new ATOM 0 HB2 GLN A 48 6.023 12.228 9.427 1.00 0.83 H new ATOM 0 HB3 GLN A 48 6.144 10.903 10.568 1.00 0.83 H new ATOM 0 HG2 GLN A 48 3.506 11.743 9.360 1.00 1.00 H new ATOM 0 HG3 GLN A 48 4.586 10.615 8.565 1.00 1.00 H new ATOM 0 HE21 GLN A 48 5.505 9.106 10.712 1.00 1.15 H new ATOM 0 HE22 GLN A 48 4.122 8.283 11.442 1.00 1.15 H new ATOM 719 N ASP A 49 3.698 14.213 10.249 1.00 0.99 N ATOM 720 CA ASP A 49 3.296 15.501 9.695 1.00 1.16 C ATOM 721 C ASP A 49 1.877 15.451 9.155 1.00 1.20 C ATOM 722 O ASP A 49 0.972 16.081 9.705 1.00 1.33 O ATOM 723 CB ASP A 49 4.256 15.928 8.581 1.00 1.28 C ATOM 724 CG ASP A 49 3.965 17.322 8.059 1.00 1.51 C ATOM 725 OD1 ASP A 49 3.025 17.964 8.574 1.00 1.81 O ATOM 726 OD2 ASP A 49 4.672 17.774 7.132 1.00 1.70 O ATOM 0 H ASP A 49 3.000 13.476 10.150 1.00 0.99 H new ATOM 0 HA ASP A 49 3.332 16.232 10.502 1.00 1.16 H new ATOM 0 HB2 ASP A 49 5.279 15.891 8.955 1.00 1.28 H new ATOM 0 HB3 ASP A 49 4.191 15.216 7.758 1.00 1.28 H new ATOM 731 N GLN A 50 1.694 14.707 8.073 1.00 1.19 N ATOM 732 CA GLN A 50 0.390 14.580 7.447 1.00 1.31 C ATOM 733 C GLN A 50 -0.246 15.953 7.222 1.00 1.33 C ATOM 734 O GLN A 50 -1.319 16.252 7.743 1.00 1.40 O ATOM 735 CB GLN A 50 -0.502 13.691 8.302 1.00 1.42 C ATOM 736 CG GLN A 50 -0.136 12.222 8.212 1.00 1.67 C ATOM 737 CD GLN A 50 -0.896 11.368 9.203 1.00 1.43 C ATOM 738 OE1 GLN A 50 -0.191 10.439 9.830 1.00 2.03 O flip ATOM 739 NE2 GLN A 50 -2.105 11.519 9.379 1.00 1.24 N flip ATOM 0 H GLN A 50 2.436 14.182 7.611 1.00 1.19 H new ATOM 0 HA GLN A 50 0.510 14.116 6.468 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -0.437 14.013 9.341 1.00 1.42 H new ATOM 0 HB3 GLN A 50 -1.539 13.821 7.992 1.00 1.42 H new ATOM 0 HG2 GLN A 50 -0.335 11.864 7.202 1.00 1.67 H new ATOM 0 HG3 GLN A 50 0.934 12.107 8.386 1.00 1.67 H new ATOM 0 HE21 GLN A 50 -2.607 12.249 8.873 1.00 1.24 H new ATOM 0 HE22 GLN A 50 -2.605 10.914 10.031 1.00 1.24 H new ATOM 748 N PRO A 51 0.425 16.807 6.426 1.00 1.35 N ATOM 749 CA PRO A 51 -0.042 18.151 6.100 1.00 1.46 C ATOM 750 C PRO A 51 -0.874 18.160 4.823 1.00 1.54 C ATOM 751 O PRO A 51 -1.260 19.214 4.313 1.00 2.26 O ATOM 752 CB PRO A 51 1.270 18.894 5.889 1.00 1.52 C ATOM 753 CG PRO A 51 2.186 17.873 5.294 1.00 1.53 C ATOM 754 CD PRO A 51 1.708 16.517 5.769 1.00 1.37 C ATOM 0 HA PRO A 51 -0.687 18.584 6.864 1.00 1.46 H new ATOM 0 HB2 PRO A 51 1.140 19.747 5.223 1.00 1.52 H new ATOM 0 HB3 PRO A 51 1.663 19.280 6.829 1.00 1.52 H new ATOM 0 HG2 PRO A 51 2.169 17.928 4.206 1.00 1.53 H new ATOM 0 HG3 PRO A 51 3.215 18.050 5.606 1.00 1.53 H new ATOM 0 HD2 PRO A 51 1.584 15.823 4.938 1.00 1.37 H new ATOM 0 HD3 PRO A 51 2.418 16.062 6.460 1.00 1.37 H new ATOM 762 N ASP A 52 -1.141 16.963 4.327 1.00 1.24 N ATOM 763 CA ASP A 52 -1.928 16.760 3.112 1.00 1.23 C ATOM 764 C ASP A 52 -2.653 15.442 3.190 1.00 0.91 C ATOM 765 O ASP A 52 -3.837 15.352 2.870 1.00 1.55 O ATOM 766 CB ASP A 52 -1.051 16.727 1.870 1.00 1.67 C ATOM 767 CG ASP A 52 -0.174 17.956 1.732 1.00 2.16 C ATOM 768 OD1 ASP A 52 -0.726 19.071 1.633 1.00 2.69 O ATOM 769 OD2 ASP A 52 1.067 17.802 1.724 1.00 2.56 O ATOM 0 H ASP A 52 -0.817 16.096 4.756 1.00 1.24 H new ATOM 0 HA ASP A 52 -2.626 17.594 3.039 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -0.420 15.839 1.901 1.00 1.67 H new ATOM 0 HB3 ASP A 52 -1.684 16.638 0.987 1.00 1.67 H new ATOM 774 N TYR A 53 -1.922 14.406 3.601 1.00 0.76 N ATOM 775 CA TYR A 53 -2.471 13.082 3.714 1.00 1.08 C ATOM 776 C TYR A 53 -2.731 12.523 2.317 1.00 0.87 C ATOM 777 O TYR A 53 -3.759 12.825 1.729 1.00 0.98 O ATOM 778 CB TYR A 53 -3.799 13.087 4.504 1.00 1.83 C ATOM 779 CG TYR A 53 -3.865 13.954 5.762 1.00 2.62 C ATOM 780 CD1 TYR A 53 -4.227 15.296 5.692 1.00 3.32 C ATOM 781 CD2 TYR A 53 -3.630 13.413 7.020 1.00 3.26 C ATOM 782 CE1 TYR A 53 -4.335 16.073 6.828 1.00 4.46 C ATOM 783 CE2 TYR A 53 -3.746 14.184 8.164 1.00 4.34 C ATOM 784 CZ TYR A 53 -4.097 15.510 8.062 1.00 4.90 C ATOM 785 OH TYR A 53 -4.214 16.279 9.198 1.00 6.13 O ATOM 0 H TYR A 53 -0.938 14.474 3.861 1.00 0.76 H new ATOM 0 HA TYR A 53 -1.752 12.462 4.249 1.00 1.08 H new ATOM 0 HB2 TYR A 53 -4.591 13.411 3.829 1.00 1.83 H new ATOM 0 HB3 TYR A 53 -4.025 12.060 4.790 1.00 1.83 H new ATOM 0 HD1 TYR A 53 -4.428 15.739 4.728 1.00 3.32 H new ATOM 0 HD2 TYR A 53 -3.352 12.373 7.107 1.00 3.26 H new ATOM 0 HE1 TYR A 53 -4.604 17.116 6.749 1.00 4.46 H new ATOM 0 HE2 TYR A 53 -3.561 13.746 9.134 1.00 4.34 H new ATOM 0 HH TYR A 53 -4.014 15.731 9.986 1.00 6.13 H new ATOM 795 N LEU A 54 -1.812 11.714 1.775 1.00 0.72 N ATOM 796 CA LEU A 54 -2.029 11.136 0.444 1.00 0.59 C ATOM 797 C LEU A 54 -1.606 9.674 0.409 1.00 0.61 C ATOM 798 O LEU A 54 -0.519 9.314 0.860 1.00 0.88 O ATOM 799 CB LEU A 54 -1.311 11.929 -0.658 1.00 0.60 C ATOM 800 CG LEU A 54 -1.440 11.348 -2.070 1.00 0.54 C ATOM 801 CD1 LEU A 54 -1.262 12.444 -3.109 1.00 0.92 C ATOM 802 CD2 LEU A 54 -0.417 10.248 -2.302 1.00 1.10 C ATOM 0 H LEU A 54 -0.934 11.450 2.223 1.00 0.72 H new ATOM 0 HA LEU A 54 -3.099 11.196 0.244 1.00 0.59 H new ATOM 0 HB2 LEU A 54 -1.702 12.947 -0.664 1.00 0.60 H new ATOM 0 HB3 LEU A 54 -0.253 11.995 -0.405 1.00 0.60 H new ATOM 0 HG LEU A 54 -2.437 10.919 -2.168 1.00 0.54 H new ATOM 0 HD11 LEU A 54 -1.356 12.017 -4.108 1.00 0.92 H new ATOM 0 HD12 LEU A 54 -2.027 13.208 -2.967 1.00 0.92 H new ATOM 0 HD13 LEU A 54 -0.275 12.894 -2.998 1.00 0.92 H new ATOM 0 HD21 LEU A 54 -0.530 9.853 -3.312 1.00 1.10 H new ATOM 0 HD22 LEU A 54 0.587 10.654 -2.182 1.00 1.10 H new ATOM 0 HD23 LEU A 54 -0.574 9.447 -1.579 1.00 1.10 H new ATOM 814 N ASN A 55 -2.485 8.837 -0.136 1.00 0.50 N ATOM 815 CA ASN A 55 -2.227 7.405 -0.247 1.00 0.58 C ATOM 816 C ASN A 55 -2.839 6.853 -1.532 1.00 0.57 C ATOM 817 O ASN A 55 -3.816 7.397 -2.048 1.00 0.70 O ATOM 818 CB ASN A 55 -2.800 6.658 0.960 1.00 0.82 C ATOM 819 CG ASN A 55 -2.182 7.103 2.273 1.00 1.80 C ATOM 820 OD1 ASN A 55 -2.345 8.247 2.694 1.00 2.63 O ATOM 821 ND2 ASN A 55 -1.464 6.196 2.925 1.00 2.49 N ATOM 0 H ASN A 55 -3.388 9.129 -0.510 1.00 0.50 H new ATOM 0 HA ASN A 55 -1.148 7.256 -0.273 1.00 0.58 H new ATOM 0 HB2 ASN A 55 -3.878 6.813 1.000 1.00 0.82 H new ATOM 0 HB3 ASN A 55 -2.637 5.588 0.831 1.00 0.82 H new ATOM 0 HD21 ASN A 55 -1.022 6.437 3.812 1.00 2.49 H new ATOM 0 HD22 ASN A 55 -1.355 5.258 2.539 1.00 2.49 H new ATOM 828 N ALA A 56 -2.257 5.774 -2.048 1.00 0.51 N ATOM 829 CA ALA A 56 -2.749 5.155 -3.275 1.00 0.57 C ATOM 830 C ALA A 56 -2.204 3.742 -3.435 1.00 0.54 C ATOM 831 O ALA A 56 -1.049 3.471 -3.105 1.00 0.75 O ATOM 832 CB ALA A 56 -2.374 6.006 -4.475 1.00 0.61 C ATOM 0 H ALA A 56 -1.446 5.311 -1.637 1.00 0.51 H new ATOM 0 HA ALA A 56 -3.835 5.090 -3.212 1.00 0.57 H new ATOM 0 HB1 ALA A 56 -2.746 5.535 -5.385 1.00 0.61 H new ATOM 0 HB2 ALA A 56 -2.817 6.996 -4.371 1.00 0.61 H new ATOM 0 HB3 ALA A 56 -1.289 6.098 -4.531 1.00 0.61 H new ATOM 838 N ALA A 57 -3.043 2.841 -3.941 1.00 0.31 N ATOM 839 CA ALA A 57 -2.639 1.455 -4.138 1.00 0.29 C ATOM 840 C ALA A 57 -2.342 1.157 -5.605 1.00 0.29 C ATOM 841 O ALA A 57 -2.808 1.867 -6.497 1.00 0.39 O ATOM 842 CB ALA A 57 -3.726 0.530 -3.625 1.00 0.33 C ATOM 0 H ALA A 57 -4.002 3.046 -4.220 1.00 0.31 H new ATOM 0 HA ALA A 57 -1.720 1.287 -3.577 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -3.422 -0.506 -3.773 1.00 0.33 H new ATOM 0 HB2 ALA A 57 -3.887 0.712 -2.563 1.00 0.33 H new ATOM 0 HB3 ALA A 57 -4.651 0.718 -4.170 1.00 0.33 H new ATOM 848 N VAL A 58 -1.575 0.092 -5.847 1.00 0.26 N ATOM 849 CA VAL A 58 -1.221 -0.315 -7.208 1.00 0.27 C ATOM 850 C VAL A 58 -0.973 -1.821 -7.293 1.00 0.27 C ATOM 851 O VAL A 58 -0.193 -2.372 -6.515 1.00 0.28 O ATOM 852 CB VAL A 58 0.029 0.423 -7.728 1.00 0.31 C ATOM 853 CG1 VAL A 58 -0.267 1.897 -7.964 1.00 1.20 C ATOM 854 CG2 VAL A 58 1.193 0.260 -6.760 1.00 0.98 C ATOM 0 H VAL A 58 -1.187 -0.505 -5.117 1.00 0.26 H new ATOM 0 HA VAL A 58 -2.073 -0.049 -7.834 1.00 0.27 H new ATOM 0 HB VAL A 58 0.310 -0.024 -8.682 1.00 0.31 H new ATOM 0 HG11 VAL A 58 0.631 2.394 -8.330 1.00 1.20 H new ATOM 0 HG12 VAL A 58 -1.063 1.995 -8.702 1.00 1.20 H new ATOM 0 HG13 VAL A 58 -0.582 2.359 -7.028 1.00 1.20 H new ATOM 0 HG21 VAL A 58 2.064 0.789 -7.147 1.00 0.98 H new ATOM 0 HG22 VAL A 58 0.919 0.673 -5.789 1.00 0.98 H new ATOM 0 HG23 VAL A 58 1.430 -0.798 -6.650 1.00 0.98 H new ATOM 864 N ALA A 59 -1.645 -2.485 -8.235 1.00 0.28 N ATOM 865 CA ALA A 59 -1.494 -3.925 -8.404 1.00 0.29 C ATOM 866 C ALA A 59 -0.202 -4.269 -9.139 1.00 0.31 C ATOM 867 O ALA A 59 -0.127 -4.181 -10.365 1.00 0.50 O ATOM 868 CB ALA A 59 -2.689 -4.497 -9.148 1.00 0.31 C ATOM 0 H ALA A 59 -2.295 -2.048 -8.888 1.00 0.28 H new ATOM 0 HA ALA A 59 -1.444 -4.373 -7.411 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -2.562 -5.573 -9.267 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -3.599 -4.299 -8.582 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -2.764 -4.030 -10.130 1.00 0.31 H new ATOM 874 N LEU A 60 0.807 -4.672 -8.375 1.00 0.28 N ATOM 875 CA LEU A 60 2.101 -5.048 -8.933 1.00 0.28 C ATOM 876 C LEU A 60 2.110 -6.518 -9.329 1.00 0.30 C ATOM 877 O LEU A 60 2.153 -7.396 -8.472 1.00 0.33 O ATOM 878 CB LEU A 60 3.214 -4.794 -7.909 1.00 0.29 C ATOM 879 CG LEU A 60 4.605 -5.305 -8.309 1.00 0.29 C ATOM 880 CD1 LEU A 60 5.169 -4.493 -9.461 1.00 0.35 C ATOM 881 CD2 LEU A 60 5.546 -5.267 -7.113 1.00 0.31 C ATOM 0 H LEU A 60 0.753 -4.747 -7.359 1.00 0.28 H new ATOM 0 HA LEU A 60 2.276 -4.439 -9.820 1.00 0.28 H new ATOM 0 HB2 LEU A 60 3.278 -3.721 -7.726 1.00 0.29 H new ATOM 0 HB3 LEU A 60 2.931 -5.262 -6.966 1.00 0.29 H new ATOM 0 HG LEU A 60 4.508 -6.338 -8.642 1.00 0.29 H new ATOM 0 HD11 LEU A 60 6.155 -4.874 -9.726 1.00 0.35 H new ATOM 0 HD12 LEU A 60 4.505 -4.573 -10.322 1.00 0.35 H new ATOM 0 HD13 LEU A 60 5.252 -3.448 -9.163 1.00 0.35 H new ATOM 0 HD21 LEU A 60 6.529 -5.632 -7.411 1.00 0.31 H new ATOM 0 HD22 LEU A 60 5.634 -4.242 -6.752 1.00 0.31 H new ATOM 0 HD23 LEU A 60 5.150 -5.899 -6.318 1.00 0.31 H new ATOM 893 N GLU A 61 2.090 -6.785 -10.626 1.00 0.32 N ATOM 894 CA GLU A 61 2.110 -8.159 -11.099 1.00 0.36 C ATOM 895 C GLU A 61 3.512 -8.715 -10.911 1.00 0.34 C ATOM 896 O GLU A 61 4.378 -8.564 -11.772 1.00 0.36 O ATOM 897 CB GLU A 61 1.704 -8.218 -12.572 1.00 0.43 C ATOM 898 CG GLU A 61 1.324 -9.606 -13.056 1.00 0.52 C ATOM 899 CD GLU A 61 0.065 -10.138 -12.400 1.00 1.37 C ATOM 900 OE1 GLU A 61 0.068 -10.319 -11.167 1.00 2.11 O ATOM 901 OE2 GLU A 61 -0.926 -10.375 -13.124 1.00 1.88 O ATOM 0 H GLU A 61 2.060 -6.078 -11.361 1.00 0.32 H new ATOM 0 HA GLU A 61 1.398 -8.758 -10.530 1.00 0.36 H new ATOM 0 HB2 GLU A 61 0.861 -7.546 -12.733 1.00 0.43 H new ATOM 0 HB3 GLU A 61 2.529 -7.846 -13.180 1.00 0.43 H new ATOM 0 HG2 GLU A 61 1.182 -9.582 -14.136 1.00 0.52 H new ATOM 0 HG3 GLU A 61 2.148 -10.292 -12.858 1.00 0.52 H new ATOM 908 N THR A 62 3.734 -9.330 -9.754 1.00 0.34 N ATOM 909 CA THR A 62 5.040 -9.874 -9.416 1.00 0.35 C ATOM 910 C THR A 62 4.953 -11.317 -8.941 1.00 0.39 C ATOM 911 O THR A 62 3.963 -11.732 -8.341 1.00 0.61 O ATOM 912 CB THR A 62 5.682 -9.017 -8.326 1.00 0.40 C ATOM 913 OG1 THR A 62 6.923 -9.564 -7.919 1.00 0.43 O ATOM 914 CG2 THR A 62 4.817 -8.871 -7.092 1.00 0.52 C ATOM 0 H THR A 62 3.023 -9.463 -9.035 1.00 0.34 H new ATOM 0 HA THR A 62 5.649 -9.859 -10.320 1.00 0.35 H new ATOM 0 HB THR A 62 5.815 -8.033 -8.776 1.00 0.40 H new ATOM 0 HG1 THR A 62 7.362 -9.987 -8.687 1.00 0.43 H new ATOM 0 HG21 THR A 62 5.332 -8.251 -6.358 1.00 0.52 H new ATOM 0 HG22 THR A 62 3.871 -8.402 -7.364 1.00 0.52 H new ATOM 0 HG23 THR A 62 4.624 -9.855 -6.664 1.00 0.52 H new ATOM 922 N SER A 63 6.020 -12.065 -9.185 1.00 0.37 N ATOM 923 CA SER A 63 6.096 -13.453 -8.759 1.00 0.48 C ATOM 924 C SER A 63 7.081 -13.564 -7.608 1.00 0.42 C ATOM 925 O SER A 63 7.400 -14.657 -7.138 1.00 0.45 O ATOM 926 CB SER A 63 6.526 -14.353 -9.919 1.00 0.69 C ATOM 927 OG SER A 63 5.600 -14.281 -10.989 1.00 1.22 O ATOM 0 H SER A 63 6.848 -11.731 -9.678 1.00 0.37 H new ATOM 0 HA SER A 63 5.111 -13.782 -8.429 1.00 0.48 H new ATOM 0 HB2 SER A 63 7.514 -14.054 -10.268 1.00 0.69 H new ATOM 0 HB3 SER A 63 6.608 -15.383 -9.573 1.00 0.69 H new ATOM 0 HG SER A 63 5.898 -14.863 -11.719 1.00 1.22 H new ATOM 933 N LEU A 64 7.561 -12.404 -7.170 1.00 0.37 N ATOM 934 CA LEU A 64 8.518 -12.318 -6.078 1.00 0.35 C ATOM 935 C LEU A 64 7.922 -12.907 -4.798 1.00 0.50 C ATOM 936 O LEU A 64 6.706 -12.895 -4.610 1.00 0.82 O ATOM 937 CB LEU A 64 8.914 -10.851 -5.877 1.00 0.49 C ATOM 938 CG LEU A 64 10.282 -10.599 -5.238 1.00 0.48 C ATOM 939 CD1 LEU A 64 10.264 -10.949 -3.760 1.00 0.90 C ATOM 940 CD2 LEU A 64 11.366 -11.388 -5.959 1.00 0.84 C ATOM 0 H LEU A 64 7.297 -11.500 -7.563 1.00 0.37 H new ATOM 0 HA LEU A 64 9.409 -12.897 -6.323 1.00 0.35 H new ATOM 0 HB2 LEU A 64 8.893 -10.355 -6.847 1.00 0.49 H new ATOM 0 HB3 LEU A 64 8.154 -10.373 -5.258 1.00 0.49 H new ATOM 0 HG LEU A 64 10.507 -9.537 -5.333 1.00 0.48 H new ATOM 0 HD11 LEU A 64 11.248 -10.761 -3.330 1.00 0.90 H new ATOM 0 HD12 LEU A 64 9.521 -10.335 -3.250 1.00 0.90 H new ATOM 0 HD13 LEU A 64 10.010 -12.002 -3.639 1.00 0.90 H new ATOM 0 HD21 LEU A 64 12.330 -11.195 -5.489 1.00 0.84 H new ATOM 0 HD22 LEU A 64 11.141 -12.453 -5.900 1.00 0.84 H new ATOM 0 HD23 LEU A 64 11.404 -11.082 -7.005 1.00 0.84 H new ATOM 952 N ALA A 65 8.785 -13.430 -3.928 1.00 0.58 N ATOM 953 CA ALA A 65 8.348 -14.031 -2.675 1.00 0.89 C ATOM 954 C ALA A 65 7.495 -13.062 -1.860 1.00 0.60 C ATOM 955 O ALA A 65 7.869 -11.908 -1.671 1.00 0.59 O ATOM 956 CB ALA A 65 9.550 -14.487 -1.864 1.00 1.41 C ATOM 0 H ALA A 65 9.795 -13.448 -4.072 1.00 0.58 H new ATOM 0 HA ALA A 65 7.731 -14.897 -2.915 1.00 0.89 H new ATOM 0 HB1 ALA A 65 9.210 -14.934 -0.930 1.00 1.41 H new ATOM 0 HB2 ALA A 65 10.116 -15.224 -2.435 1.00 1.41 H new ATOM 0 HB3 ALA A 65 10.187 -13.630 -1.645 1.00 1.41 H new ATOM 962 N PRO A 66 6.330 -13.523 -1.370 1.00 0.50 N ATOM 963 CA PRO A 66 5.421 -12.692 -0.576 1.00 0.40 C ATOM 964 C PRO A 66 6.105 -12.009 0.595 1.00 0.41 C ATOM 965 O PRO A 66 5.589 -11.042 1.144 1.00 0.62 O ATOM 966 CB PRO A 66 4.393 -13.682 -0.034 1.00 0.47 C ATOM 967 CG PRO A 66 4.441 -14.860 -0.942 1.00 0.75 C ATOM 968 CD PRO A 66 5.811 -14.890 -1.565 1.00 0.64 C ATOM 0 HA PRO A 66 5.005 -11.891 -1.187 1.00 0.40 H new ATOM 0 HB2 PRO A 66 4.630 -13.969 0.991 1.00 0.47 H new ATOM 0 HB3 PRO A 66 3.396 -13.241 -0.019 1.00 0.47 H new ATOM 0 HG2 PRO A 66 4.250 -15.780 -0.389 1.00 0.75 H new ATOM 0 HG3 PRO A 66 3.671 -14.785 -1.710 1.00 0.75 H new ATOM 0 HD2 PRO A 66 6.450 -15.631 -1.084 1.00 0.64 H new ATOM 0 HD3 PRO A 66 5.762 -15.150 -2.622 1.00 0.64 H new ATOM 976 N GLU A 67 7.254 -12.531 0.991 1.00 0.40 N ATOM 977 CA GLU A 67 7.989 -11.977 2.119 1.00 0.44 C ATOM 978 C GLU A 67 9.079 -11.014 1.673 1.00 0.37 C ATOM 979 O GLU A 67 9.375 -10.042 2.369 1.00 0.40 O ATOM 980 CB GLU A 67 8.577 -13.102 2.964 1.00 0.57 C ATOM 981 CG GLU A 67 9.077 -14.265 2.134 1.00 0.65 C ATOM 982 CD GLU A 67 9.707 -15.363 2.970 1.00 0.80 C ATOM 983 OE1 GLU A 67 9.001 -15.929 3.831 1.00 1.28 O ATOM 984 OE2 GLU A 67 10.903 -15.654 2.763 1.00 1.19 O ATOM 0 H GLU A 67 7.698 -13.336 0.550 1.00 0.40 H new ATOM 0 HA GLU A 67 7.285 -11.405 2.724 1.00 0.44 H new ATOM 0 HB2 GLU A 67 9.400 -12.709 3.561 1.00 0.57 H new ATOM 0 HB3 GLU A 67 7.819 -13.459 3.661 1.00 0.57 H new ATOM 0 HG2 GLU A 67 8.246 -14.681 1.564 1.00 0.65 H new ATOM 0 HG3 GLU A 67 9.808 -13.901 1.412 1.00 0.65 H new ATOM 991 N GLU A 68 9.672 -11.280 0.521 1.00 0.34 N ATOM 992 CA GLU A 68 10.728 -10.417 0.011 1.00 0.31 C ATOM 993 C GLU A 68 10.160 -9.257 -0.808 1.00 0.29 C ATOM 994 O GLU A 68 10.812 -8.227 -0.952 1.00 0.30 O ATOM 995 CB GLU A 68 11.744 -11.213 -0.806 1.00 0.37 C ATOM 996 CG GLU A 68 12.966 -10.398 -1.204 1.00 0.34 C ATOM 997 CD GLU A 68 14.061 -11.250 -1.815 1.00 0.53 C ATOM 998 OE1 GLU A 68 14.541 -12.181 -1.133 1.00 1.21 O ATOM 999 OE2 GLU A 68 14.438 -10.989 -2.976 1.00 1.02 O ATOM 0 H GLU A 68 9.445 -12.077 -0.074 1.00 0.34 H new ATOM 0 HA GLU A 68 11.244 -9.992 0.872 1.00 0.31 H new ATOM 0 HB2 GLU A 68 12.066 -12.079 -0.228 1.00 0.37 H new ATOM 0 HB3 GLU A 68 11.260 -11.592 -1.706 1.00 0.37 H new ATOM 0 HG2 GLU A 68 12.669 -9.629 -1.917 1.00 0.34 H new ATOM 0 HG3 GLU A 68 13.358 -9.885 -0.326 1.00 0.34 H new ATOM 1006 N LEU A 69 8.945 -9.423 -1.340 1.00 0.32 N ATOM 1007 CA LEU A 69 8.317 -8.363 -2.131 1.00 0.36 C ATOM 1008 C LEU A 69 8.182 -7.115 -1.275 1.00 0.35 C ATOM 1009 O LEU A 69 8.822 -6.105 -1.551 1.00 0.41 O ATOM 1010 CB LEU A 69 6.958 -8.826 -2.667 1.00 0.42 C ATOM 1011 CG LEU A 69 6.243 -7.868 -3.635 1.00 0.54 C ATOM 1012 CD1 LEU A 69 5.728 -6.630 -2.913 1.00 1.08 C ATOM 1013 CD2 LEU A 69 7.169 -7.471 -4.777 1.00 1.51 C ATOM 0 H LEU A 69 8.384 -10.269 -1.239 1.00 0.32 H new ATOM 0 HA LEU A 69 8.942 -8.129 -2.993 1.00 0.36 H new ATOM 0 HB2 LEU A 69 7.098 -9.782 -3.173 1.00 0.42 H new ATOM 0 HB3 LEU A 69 6.300 -9.008 -1.818 1.00 0.42 H new ATOM 0 HG LEU A 69 5.383 -8.395 -4.049 1.00 0.54 H new ATOM 0 HD11 LEU A 69 5.228 -5.974 -3.626 1.00 1.08 H new ATOM 0 HD12 LEU A 69 5.022 -6.928 -2.138 1.00 1.08 H new ATOM 0 HD13 LEU A 69 6.565 -6.100 -2.458 1.00 1.08 H new ATOM 0 HD21 LEU A 69 6.645 -6.793 -5.451 1.00 1.51 H new ATOM 0 HD22 LEU A 69 8.051 -6.973 -4.374 1.00 1.51 H new ATOM 0 HD23 LEU A 69 7.475 -8.363 -5.324 1.00 1.51 H new ATOM 1025 N LEU A 70 7.383 -7.196 -0.206 1.00 0.33 N ATOM 1026 CA LEU A 70 7.242 -6.066 0.705 1.00 0.39 C ATOM 1027 C LEU A 70 8.635 -5.597 1.090 1.00 0.42 C ATOM 1028 O LEU A 70 8.968 -4.420 0.976 1.00 0.61 O ATOM 1029 CB LEU A 70 6.453 -6.473 1.957 1.00 0.44 C ATOM 1030 CG LEU A 70 6.427 -5.450 3.101 1.00 0.58 C ATOM 1031 CD1 LEU A 70 5.233 -5.698 4.004 1.00 1.16 C ATOM 1032 CD2 LEU A 70 7.710 -5.515 3.917 1.00 1.01 C ATOM 0 H LEU A 70 6.835 -8.019 0.043 1.00 0.33 H new ATOM 0 HA LEU A 70 6.693 -5.261 0.216 1.00 0.39 H new ATOM 0 HB2 LEU A 70 5.425 -6.683 1.661 1.00 0.44 H new ATOM 0 HB3 LEU A 70 6.872 -7.404 2.339 1.00 0.44 H new ATOM 0 HG LEU A 70 6.344 -4.456 2.661 1.00 0.58 H new ATOM 0 HD11 LEU A 70 5.228 -4.965 4.810 1.00 1.16 H new ATOM 0 HD12 LEU A 70 4.314 -5.607 3.425 1.00 1.16 H new ATOM 0 HD13 LEU A 70 5.298 -6.701 4.426 1.00 1.16 H new ATOM 0 HD21 LEU A 70 7.667 -4.781 4.721 1.00 1.01 H new ATOM 0 HD22 LEU A 70 7.821 -6.513 4.342 1.00 1.01 H new ATOM 0 HD23 LEU A 70 8.562 -5.298 3.273 1.00 1.01 H new ATOM 1044 N ASN A 71 9.445 -6.552 1.532 1.00 0.31 N ATOM 1045 CA ASN A 71 10.823 -6.272 1.923 1.00 0.35 C ATOM 1046 C ASN A 71 11.540 -5.473 0.833 1.00 0.38 C ATOM 1047 O ASN A 71 12.388 -4.630 1.126 1.00 0.45 O ATOM 1048 CB ASN A 71 11.579 -7.570 2.207 1.00 0.36 C ATOM 1049 CG ASN A 71 12.997 -7.319 2.681 1.00 1.06 C ATOM 1050 OD1 ASN A 71 13.833 -6.804 1.937 1.00 1.87 O ATOM 1051 ND2 ASN A 71 13.275 -7.674 3.929 1.00 1.53 N ATOM 0 H ASN A 71 9.171 -7.530 1.629 1.00 0.31 H new ATOM 0 HA ASN A 71 10.801 -5.676 2.836 1.00 0.35 H new ATOM 0 HB2 ASN A 71 11.042 -8.143 2.963 1.00 0.36 H new ATOM 0 HB3 ASN A 71 11.603 -8.179 1.303 1.00 0.36 H new ATOM 0 HD21 ASN A 71 14.211 -7.523 4.306 1.00 1.53 H new ATOM 0 HD22 ASN A 71 12.553 -8.098 4.512 1.00 1.53 H new ATOM 1058 N HIS A 72 11.177 -5.725 -0.425 1.00 0.35 N ATOM 1059 CA HIS A 72 11.770 -5.006 -1.548 1.00 0.42 C ATOM 1060 C HIS A 72 11.202 -3.602 -1.603 1.00 0.41 C ATOM 1061 O HIS A 72 11.942 -2.625 -1.723 1.00 0.43 O ATOM 1062 CB HIS A 72 11.503 -5.719 -2.874 1.00 0.51 C ATOM 1063 CG HIS A 72 12.487 -6.798 -3.193 1.00 1.07 C ATOM 1064 ND1 HIS A 72 13.852 -6.606 -3.150 1.00 2.09 N ATOM 1065 CD2 HIS A 72 12.302 -8.077 -3.593 1.00 1.39 C ATOM 1066 CE1 HIS A 72 14.462 -7.720 -3.512 1.00 2.99 C ATOM 1067 NE2 HIS A 72 13.545 -8.628 -3.786 1.00 2.56 N ATOM 0 H HIS A 72 10.478 -6.419 -0.689 1.00 0.35 H new ATOM 0 HA HIS A 72 12.849 -4.969 -1.397 1.00 0.42 H new ATOM 0 HB2 HIS A 72 10.502 -6.150 -2.848 1.00 0.51 H new ATOM 0 HB3 HIS A 72 11.512 -4.984 -3.678 1.00 0.51 H new ATOM 0 HD2 HIS A 72 11.353 -8.573 -3.734 1.00 1.39 H new ATOM 0 HE1 HIS A 72 15.531 -7.863 -3.573 1.00 2.99 H new ATOM 0 HE2 HIS A 72 13.729 -9.584 -4.091 1.00 2.56 H new ATOM 1076 N THR A 73 9.879 -3.505 -1.496 1.00 0.45 N ATOM 1077 CA THR A 73 9.215 -2.213 -1.510 1.00 0.49 C ATOM 1078 C THR A 73 9.750 -1.357 -0.370 1.00 0.46 C ATOM 1079 O THR A 73 9.628 -0.132 -0.383 1.00 0.47 O ATOM 1080 CB THR A 73 7.701 -2.384 -1.397 1.00 0.58 C ATOM 1081 OG1 THR A 73 7.346 -2.955 -0.153 1.00 0.62 O ATOM 1082 CG2 THR A 73 7.118 -3.257 -2.484 1.00 0.66 C ATOM 0 H THR A 73 9.252 -4.304 -1.399 1.00 0.45 H new ATOM 0 HA THR A 73 9.423 -1.714 -2.456 1.00 0.49 H new ATOM 0 HB THR A 73 7.292 -1.379 -1.497 1.00 0.58 H new ATOM 0 HG1 THR A 73 8.140 -3.350 0.264 1.00 0.62 H new ATOM 0 HG21 THR A 73 6.040 -3.338 -2.346 1.00 0.66 H new ATOM 0 HG22 THR A 73 7.327 -2.814 -3.458 1.00 0.66 H new ATOM 0 HG23 THR A 73 7.566 -4.249 -2.433 1.00 0.66 H new ATOM 1090 N GLN A 74 10.368 -2.021 0.608 1.00 0.49 N ATOM 1091 CA GLN A 74 10.959 -1.338 1.751 1.00 0.49 C ATOM 1092 C GLN A 74 12.153 -0.510 1.297 1.00 0.43 C ATOM 1093 O GLN A 74 12.388 0.593 1.793 1.00 0.45 O ATOM 1094 CB GLN A 74 11.402 -2.351 2.811 1.00 0.60 C ATOM 1095 CG GLN A 74 10.254 -3.128 3.431 1.00 0.65 C ATOM 1096 CD GLN A 74 9.207 -2.224 4.049 1.00 0.87 C ATOM 1097 OE1 GLN A 74 9.485 -1.488 4.996 1.00 1.66 O ATOM 1098 NE2 GLN A 74 7.994 -2.270 3.509 1.00 1.05 N ATOM 0 H GLN A 74 10.470 -3.036 0.628 1.00 0.49 H new ATOM 0 HA GLN A 74 10.209 -0.680 2.190 1.00 0.49 H new ATOM 0 HB2 GLN A 74 12.102 -3.054 2.359 1.00 0.60 H new ATOM 0 HB3 GLN A 74 11.941 -1.826 3.599 1.00 0.60 H new ATOM 0 HG2 GLN A 74 9.787 -3.750 2.668 1.00 0.65 H new ATOM 0 HG3 GLN A 74 10.645 -3.800 4.195 1.00 0.65 H new ATOM 0 HE21 GLN A 74 7.808 -2.895 2.725 1.00 1.05 H new ATOM 0 HE22 GLN A 74 7.249 -1.680 3.879 1.00 1.05 H new ATOM 1107 N ARG A 75 12.901 -1.054 0.341 1.00 0.44 N ATOM 1108 CA ARG A 75 14.071 -0.378 -0.201 1.00 0.46 C ATOM 1109 C ARG A 75 13.654 0.881 -0.947 1.00 0.43 C ATOM 1110 O ARG A 75 14.467 1.771 -1.187 1.00 0.52 O ATOM 1111 CB ARG A 75 14.838 -1.317 -1.133 1.00 0.59 C ATOM 1112 CG ARG A 75 16.138 -0.738 -1.668 1.00 1.17 C ATOM 1113 CD ARG A 75 16.887 -1.758 -2.511 1.00 1.93 C ATOM 1114 NE ARG A 75 18.190 -1.266 -2.954 1.00 2.51 N ATOM 1115 CZ ARG A 75 18.355 -0.237 -3.781 1.00 2.97 C ATOM 1116 NH1 ARG A 75 17.302 0.405 -4.271 1.00 3.08 N ATOM 1117 NH2 ARG A 75 19.577 0.148 -4.125 1.00 3.82 N ATOM 0 H ARG A 75 12.714 -1.966 -0.075 1.00 0.44 H new ATOM 0 HA ARG A 75 14.724 -0.093 0.624 1.00 0.46 H new ATOM 0 HB2 ARG A 75 15.058 -2.241 -0.599 1.00 0.59 H new ATOM 0 HB3 ARG A 75 14.197 -1.580 -1.974 1.00 0.59 H new ATOM 0 HG2 ARG A 75 15.926 0.148 -2.267 1.00 1.17 H new ATOM 0 HG3 ARG A 75 16.766 -0.417 -0.837 1.00 1.17 H new ATOM 0 HD2 ARG A 75 17.024 -2.672 -1.933 1.00 1.93 H new ATOM 0 HD3 ARG A 75 16.285 -2.018 -3.382 1.00 1.93 H new ATOM 0 HE ARG A 75 19.024 -1.741 -2.608 1.00 2.51 H new ATOM 0 HH11 ARG A 75 16.360 0.110 -4.014 1.00 3.08 H new ATOM 0 HH12 ARG A 75 17.435 1.193 -4.905 1.00 3.08 H new ATOM 0 HH21 ARG A 75 20.390 -0.345 -3.755 1.00 3.82 H new ATOM 0 HH22 ARG A 75 19.704 0.937 -4.759 1.00 3.82 H new ATOM 1131 N ILE A 76 12.370 0.959 -1.290 1.00 0.43 N ATOM 1132 CA ILE A 76 11.838 2.120 -1.983 1.00 0.48 C ATOM 1133 C ILE A 76 11.787 3.286 -1.017 1.00 0.49 C ATOM 1134 O ILE A 76 11.891 4.447 -1.407 1.00 0.60 O ATOM 1135 CB ILE A 76 10.428 1.855 -2.547 1.00 0.53 C ATOM 1136 CG1 ILE A 76 10.453 0.633 -3.472 1.00 0.62 C ATOM 1137 CG2 ILE A 76 9.915 3.083 -3.290 1.00 0.64 C ATOM 1138 CD1 ILE A 76 9.104 0.279 -4.054 1.00 1.42 C ATOM 0 H ILE A 76 11.683 0.230 -1.098 1.00 0.43 H new ATOM 0 HA ILE A 76 12.493 2.346 -2.825 1.00 0.48 H new ATOM 0 HB ILE A 76 9.749 1.649 -1.719 1.00 0.53 H new ATOM 0 HG12 ILE A 76 11.152 0.821 -4.287 1.00 0.62 H new ATOM 0 HG13 ILE A 76 10.834 -0.224 -2.916 1.00 0.62 H new ATOM 0 HG21 ILE A 76 8.918 2.881 -3.683 1.00 0.64 H new ATOM 0 HG22 ILE A 76 9.870 3.930 -2.606 1.00 0.64 H new ATOM 0 HG23 ILE A 76 10.589 3.318 -4.114 1.00 0.64 H new ATOM 0 HD11 ILE A 76 9.203 -0.595 -4.697 1.00 1.42 H new ATOM 0 HD12 ILE A 76 8.406 0.058 -3.246 1.00 1.42 H new ATOM 0 HD13 ILE A 76 8.728 1.119 -4.639 1.00 1.42 H new ATOM 1150 N GLU A 77 11.651 2.946 0.259 1.00 0.45 N ATOM 1151 CA GLU A 77 11.612 3.931 1.324 1.00 0.52 C ATOM 1152 C GLU A 77 13.013 4.476 1.567 1.00 0.52 C ATOM 1153 O GLU A 77 13.207 5.682 1.727 1.00 0.71 O ATOM 1154 CB GLU A 77 11.075 3.287 2.600 1.00 0.59 C ATOM 1155 CG GLU A 77 9.678 2.711 2.448 1.00 0.95 C ATOM 1156 CD GLU A 77 9.228 1.948 3.680 1.00 1.15 C ATOM 1157 OE1 GLU A 77 9.215 2.546 4.776 1.00 1.59 O ATOM 1158 OE2 GLU A 77 8.891 0.752 3.549 1.00 1.52 O ATOM 0 H GLU A 77 11.565 1.982 0.580 1.00 0.45 H new ATOM 0 HA GLU A 77 10.955 4.751 1.035 1.00 0.52 H new ATOM 0 HB2 GLU A 77 11.755 2.493 2.910 1.00 0.59 H new ATOM 0 HB3 GLU A 77 11.068 4.030 3.397 1.00 0.59 H new ATOM 0 HG2 GLU A 77 8.975 3.519 2.248 1.00 0.95 H new ATOM 0 HG3 GLU A 77 9.654 2.047 1.584 1.00 0.95 H new ATOM 1165 N LEU A 78 13.986 3.570 1.575 1.00 0.47 N ATOM 1166 CA LEU A 78 15.381 3.933 1.779 1.00 0.56 C ATOM 1167 C LEU A 78 15.853 4.886 0.691 1.00 0.57 C ATOM 1168 O LEU A 78 16.266 6.011 0.971 1.00 0.66 O ATOM 1169 CB LEU A 78 16.254 2.677 1.779 1.00 0.63 C ATOM 1170 CG LEU A 78 16.071 1.752 2.983 1.00 0.71 C ATOM 1171 CD1 LEU A 78 16.910 0.495 2.820 1.00 0.83 C ATOM 1172 CD2 LEU A 78 16.436 2.475 4.271 1.00 0.84 C ATOM 0 H LEU A 78 13.830 2.571 1.441 1.00 0.47 H new ATOM 0 HA LEU A 78 15.468 4.434 2.743 1.00 0.56 H new ATOM 0 HB2 LEU A 78 16.046 2.110 0.872 1.00 0.63 H new ATOM 0 HB3 LEU A 78 17.300 2.982 1.732 1.00 0.63 H new ATOM 0 HG LEU A 78 15.022 1.461 3.038 1.00 0.71 H new ATOM 0 HD11 LEU A 78 16.768 -0.152 3.686 1.00 0.83 H new ATOM 0 HD12 LEU A 78 16.602 -0.033 1.918 1.00 0.83 H new ATOM 0 HD13 LEU A 78 17.962 0.768 2.740 1.00 0.83 H new ATOM 0 HD21 LEU A 78 16.300 1.802 5.117 1.00 0.84 H new ATOM 0 HD22 LEU A 78 17.477 2.795 4.226 1.00 0.84 H new ATOM 0 HD23 LEU A 78 15.793 3.347 4.394 1.00 0.84 H new ATOM 1184 N GLN A 79 15.794 4.420 -0.550 1.00 0.56 N ATOM 1185 CA GLN A 79 16.220 5.221 -1.694 1.00 0.63 C ATOM 1186 C GLN A 79 15.433 6.529 -1.789 1.00 0.66 C ATOM 1187 O GLN A 79 15.946 7.535 -2.283 1.00 0.84 O ATOM 1188 CB GLN A 79 16.060 4.411 -2.976 1.00 0.67 C ATOM 1189 CG GLN A 79 14.630 4.000 -3.262 1.00 0.93 C ATOM 1190 CD GLN A 79 13.947 4.932 -4.237 1.00 1.22 C ATOM 1191 OE1 GLN A 79 13.654 6.085 -3.920 1.00 1.95 O ATOM 1192 NE2 GLN A 79 13.707 4.443 -5.443 1.00 1.30 N ATOM 0 H GLN A 79 15.455 3.489 -0.792 1.00 0.56 H new ATOM 0 HA GLN A 79 17.270 5.480 -1.557 1.00 0.63 H new ATOM 0 HB2 GLN A 79 16.435 4.997 -3.815 1.00 0.67 H new ATOM 0 HB3 GLN A 79 16.680 3.517 -2.910 1.00 0.67 H new ATOM 0 HG2 GLN A 79 14.619 2.987 -3.664 1.00 0.93 H new ATOM 0 HG3 GLN A 79 14.067 3.979 -2.329 1.00 0.93 H new ATOM 0 HE21 GLN A 79 13.966 3.482 -5.664 1.00 1.30 H new ATOM 0 HE22 GLN A 79 13.263 5.028 -6.151 1.00 1.30 H new ATOM 1201 N GLN A 80 14.190 6.513 -1.315 1.00 0.54 N ATOM 1202 CA GLN A 80 13.340 7.694 -1.346 1.00 0.59 C ATOM 1203 C GLN A 80 13.883 8.777 -0.420 1.00 0.68 C ATOM 1204 O GLN A 80 13.366 9.892 -0.378 1.00 0.78 O ATOM 1205 CB GLN A 80 11.917 7.312 -0.937 1.00 0.54 C ATOM 1206 CG GLN A 80 10.897 8.414 -1.146 1.00 0.99 C ATOM 1207 CD GLN A 80 10.894 8.936 -2.567 1.00 0.98 C ATOM 1208 OE1 GLN A 80 9.814 8.677 -3.285 1.00 1.68 O flip ATOM 1209 NE2 GLN A 80 11.856 9.557 -3.017 1.00 0.74 N flip ATOM 0 H GLN A 80 13.750 5.690 -0.904 1.00 0.54 H new ATOM 0 HA GLN A 80 13.329 8.092 -2.361 1.00 0.59 H new ATOM 0 HB2 GLN A 80 11.610 6.434 -1.506 1.00 0.54 H new ATOM 0 HB3 GLN A 80 11.917 7.026 0.115 1.00 0.54 H new ATOM 0 HG2 GLN A 80 9.904 8.038 -0.898 1.00 0.99 H new ATOM 0 HG3 GLN A 80 11.108 9.235 -0.461 1.00 0.99 H new ATOM 0 HE21 GLN A 80 12.669 9.735 -2.428 1.00 0.74 H new ATOM 0 HE22 GLN A 80 11.840 9.894 -3.979 1.00 0.74 H new ATOM 1218 N GLY A 81 14.925 8.431 0.330 1.00 0.74 N ATOM 1219 CA GLY A 81 15.515 9.377 1.254 1.00 0.88 C ATOM 1220 C GLY A 81 14.637 9.589 2.467 1.00 0.89 C ATOM 1221 O GLY A 81 14.534 10.703 2.983 1.00 0.99 O ATOM 0 H GLY A 81 15.369 7.513 0.313 1.00 0.74 H new ATOM 0 HA2 GLY A 81 16.493 9.016 1.571 1.00 0.88 H new ATOM 0 HA3 GLY A 81 15.675 10.329 0.749 1.00 0.88 H new ATOM 1225 N ARG A 82 13.996 8.514 2.913 1.00 0.95 N ATOM 1226 CA ARG A 82 13.107 8.574 4.064 1.00 1.07 C ATOM 1227 C ARG A 82 13.841 9.080 5.298 1.00 1.09 C ATOM 1228 O ARG A 82 15.067 9.193 5.308 1.00 1.50 O ATOM 1229 CB ARG A 82 12.502 7.200 4.352 1.00 1.34 C ATOM 1230 CG ARG A 82 13.517 6.163 4.800 1.00 1.78 C ATOM 1231 CD ARG A 82 12.838 4.852 5.165 1.00 2.05 C ATOM 1232 NE ARG A 82 13.788 3.858 5.653 1.00 2.68 N ATOM 1233 CZ ARG A 82 13.432 2.654 6.093 1.00 3.14 C ATOM 1234 NH1 ARG A 82 12.152 2.299 6.108 1.00 3.20 N ATOM 1235 NH2 ARG A 82 14.355 1.804 6.520 1.00 3.90 N ATOM 0 H ARG A 82 14.077 7.588 2.492 1.00 0.95 H new ATOM 0 HA ARG A 82 12.305 9.273 3.825 1.00 1.07 H new ATOM 0 HB2 ARG A 82 11.739 7.304 5.123 1.00 1.34 H new ATOM 0 HB3 ARG A 82 12.000 6.839 3.454 1.00 1.34 H new ATOM 0 HG2 ARG A 82 14.241 5.991 4.004 1.00 1.78 H new ATOM 0 HG3 ARG A 82 14.071 6.540 5.659 1.00 1.78 H new ATOM 0 HD2 ARG A 82 12.083 5.036 5.929 1.00 2.05 H new ATOM 0 HD3 ARG A 82 12.319 4.458 4.291 1.00 2.05 H new ATOM 0 HE ARG A 82 14.779 4.099 5.657 1.00 2.68 H new ATOM 0 HH11 ARG A 82 11.438 2.950 5.781 1.00 3.20 H new ATOM 0 HH12 ARG A 82 11.883 1.375 6.446 1.00 3.20 H new ATOM 0 HH21 ARG A 82 15.339 2.073 6.511 1.00 3.90 H new ATOM 0 HH22 ARG A 82 14.081 0.881 6.857 1.00 3.90 H new ATOM 1249 N VAL A 83 13.073 9.385 6.334 1.00 1.01 N ATOM 1250 CA VAL A 83 13.628 9.888 7.580 1.00 1.24 C ATOM 1251 C VAL A 83 12.985 9.182 8.774 1.00 1.17 C ATOM 1252 O VAL A 83 11.832 9.444 9.118 1.00 1.65 O ATOM 1253 CB VAL A 83 13.416 11.408 7.692 1.00 1.94 C ATOM 1254 CG1 VAL A 83 14.137 11.965 8.908 1.00 2.77 C ATOM 1255 CG2 VAL A 83 13.884 12.095 6.415 1.00 2.45 C ATOM 0 H VAL A 83 12.057 9.292 6.335 1.00 1.01 H new ATOM 0 HA VAL A 83 14.699 9.683 7.584 1.00 1.24 H new ATOM 0 HB VAL A 83 12.352 11.605 7.820 1.00 1.94 H new ATOM 0 HG11 VAL A 83 13.973 13.041 8.967 1.00 2.77 H new ATOM 0 HG12 VAL A 83 13.751 11.489 9.809 1.00 2.77 H new ATOM 0 HG13 VAL A 83 15.205 11.765 8.821 1.00 2.77 H new ATOM 0 HG21 VAL A 83 13.730 13.170 6.503 1.00 2.45 H new ATOM 0 HG22 VAL A 83 14.943 11.891 6.260 1.00 2.45 H new ATOM 0 HG23 VAL A 83 13.314 11.715 5.567 1.00 2.45 H new ATOM 1384 N GLY A 90 3.746 5.457 11.371 1.00 1.35 N ATOM 1385 CA GLY A 90 3.115 6.565 10.701 1.00 1.15 C ATOM 1386 C GLY A 90 3.611 6.714 9.276 1.00 1.08 C ATOM 1387 O GLY A 90 4.699 6.228 8.961 1.00 1.29 O ATOM 0 HA2 GLY A 90 2.035 6.421 10.697 1.00 1.15 H new ATOM 0 HA3 GLY A 90 3.312 7.484 11.253 1.00 1.15 H new ATOM 1391 N PRO A 91 2.861 7.396 8.386 1.00 0.96 N ATOM 1392 CA PRO A 91 3.281 7.616 7.002 1.00 1.07 C ATOM 1393 C PRO A 91 4.761 7.940 6.933 1.00 1.17 C ATOM 1394 O PRO A 91 5.483 7.445 6.068 1.00 1.60 O ATOM 1395 CB PRO A 91 2.454 8.836 6.563 1.00 1.09 C ATOM 1396 CG PRO A 91 1.668 9.254 7.768 1.00 1.09 C ATOM 1397 CD PRO A 91 1.575 8.041 8.641 1.00 0.91 C ATOM 0 HA PRO A 91 3.126 6.740 6.373 1.00 1.07 H new ATOM 0 HB2 PRO A 91 3.101 9.643 6.219 1.00 1.09 H new ATOM 0 HB3 PRO A 91 1.793 8.582 5.734 1.00 1.09 H new ATOM 0 HG2 PRO A 91 2.161 10.074 8.290 1.00 1.09 H new ATOM 0 HG3 PRO A 91 0.677 9.607 7.484 1.00 1.09 H new ATOM 0 HD2 PRO A 91 1.448 8.301 9.692 1.00 0.91 H new ATOM 0 HD3 PRO A 91 0.735 7.403 8.367 1.00 0.91 H new ATOM 1405 N ARG A 92 5.191 8.770 7.877 1.00 0.93 N ATOM 1406 CA ARG A 92 6.578 9.192 7.990 1.00 1.03 C ATOM 1407 C ARG A 92 7.014 9.923 6.732 1.00 1.13 C ATOM 1408 O ARG A 92 7.057 11.150 6.686 1.00 1.95 O ATOM 1409 CB ARG A 92 7.464 7.974 8.282 1.00 1.21 C ATOM 1410 CG ARG A 92 8.907 8.322 8.586 1.00 1.04 C ATOM 1411 CD ARG A 92 9.795 8.172 7.365 1.00 1.71 C ATOM 1412 NE ARG A 92 10.343 6.819 7.241 1.00 2.57 N ATOM 1413 CZ ARG A 92 9.647 5.764 6.818 1.00 3.53 C ATOM 1414 NH1 ARG A 92 8.411 5.911 6.364 1.00 3.96 N ATOM 1415 NH2 ARG A 92 10.205 4.562 6.821 1.00 4.39 N ATOM 0 H ARG A 92 4.581 9.170 8.589 1.00 0.93 H new ATOM 0 HA ARG A 92 6.682 9.891 8.820 1.00 1.03 H new ATOM 0 HB2 ARG A 92 7.046 7.428 9.128 1.00 1.21 H new ATOM 0 HB3 ARG A 92 7.436 7.303 7.424 1.00 1.21 H new ATOM 0 HG2 ARG A 92 8.964 9.347 8.952 1.00 1.04 H new ATOM 0 HG3 ARG A 92 9.275 7.677 9.384 1.00 1.04 H new ATOM 0 HD2 ARG A 92 9.222 8.413 6.470 1.00 1.71 H new ATOM 0 HD3 ARG A 92 10.613 8.890 7.423 1.00 1.71 H new ATOM 0 HE ARG A 92 11.320 6.675 7.495 1.00 2.57 H new ATOM 0 HH11 ARG A 92 7.985 6.837 6.336 1.00 3.96 H new ATOM 0 HH12 ARG A 92 7.886 5.098 6.042 1.00 3.96 H new ATOM 0 HH21 ARG A 92 11.165 4.446 7.146 1.00 4.39 H new ATOM 0 HH22 ARG A 92 9.675 3.753 6.498 1.00 4.39 H new ATOM 1429 N THR A 93 7.300 9.150 5.720 1.00 0.94 N ATOM 1430 CA THR A 93 7.711 9.670 4.415 1.00 0.91 C ATOM 1431 C THR A 93 7.279 8.714 3.310 1.00 0.83 C ATOM 1432 O THR A 93 6.821 9.137 2.252 1.00 1.08 O ATOM 1433 CB THR A 93 9.226 9.882 4.346 1.00 1.02 C ATOM 1434 OG1 THR A 93 9.910 8.656 4.523 1.00 1.52 O ATOM 1435 CG2 THR A 93 9.751 10.863 5.372 1.00 1.47 C ATOM 0 H THR A 93 7.258 8.132 5.763 1.00 0.94 H new ATOM 0 HA THR A 93 7.225 10.636 4.276 1.00 0.91 H new ATOM 0 HB THR A 93 9.412 10.298 3.356 1.00 1.02 H new ATOM 0 HG1 THR A 93 10.045 8.228 3.652 1.00 1.52 H new ATOM 0 HG21 THR A 93 10.831 10.961 5.262 1.00 1.47 H new ATOM 0 HG22 THR A 93 9.281 11.835 5.220 1.00 1.47 H new ATOM 0 HG23 THR A 93 9.520 10.500 6.374 1.00 1.47 H new ATOM 1443 N LEU A 94 7.437 7.421 3.567 1.00 0.68 N ATOM 1444 CA LEU A 94 7.067 6.389 2.606 1.00 0.64 C ATOM 1445 C LEU A 94 6.957 5.043 3.307 1.00 0.56 C ATOM 1446 O LEU A 94 7.865 4.632 4.024 1.00 0.71 O ATOM 1447 CB LEU A 94 8.106 6.317 1.482 1.00 0.72 C ATOM 1448 CG LEU A 94 7.851 5.244 0.422 1.00 1.00 C ATOM 1449 CD1 LEU A 94 6.524 5.489 -0.271 1.00 1.44 C ATOM 1450 CD2 LEU A 94 8.985 5.215 -0.591 1.00 1.87 C ATOM 0 H LEU A 94 7.822 7.060 4.440 1.00 0.68 H new ATOM 0 HA LEU A 94 6.100 6.641 2.171 1.00 0.64 H new ATOM 0 HB2 LEU A 94 8.151 7.288 0.989 1.00 0.72 H new ATOM 0 HB3 LEU A 94 9.085 6.140 1.926 1.00 0.72 H new ATOM 0 HG LEU A 94 7.808 4.274 0.916 1.00 1.00 H new ATOM 0 HD11 LEU A 94 6.358 4.717 -1.022 1.00 1.44 H new ATOM 0 HD12 LEU A 94 5.719 5.460 0.463 1.00 1.44 H new ATOM 0 HD13 LEU A 94 6.540 6.467 -0.753 1.00 1.44 H new ATOM 0 HD21 LEU A 94 8.787 4.446 -1.337 1.00 1.87 H new ATOM 0 HD22 LEU A 94 9.060 6.186 -1.081 1.00 1.87 H new ATOM 0 HD23 LEU A 94 9.923 4.993 -0.081 1.00 1.87 H new ATOM 1462 N ASP A 95 5.836 4.366 3.098 1.00 0.52 N ATOM 1463 CA ASP A 95 5.606 3.067 3.716 1.00 0.53 C ATOM 1464 C ASP A 95 4.632 2.241 2.884 1.00 0.46 C ATOM 1465 O ASP A 95 3.420 2.277 3.097 1.00 0.59 O ATOM 1466 CB ASP A 95 5.079 3.236 5.145 1.00 0.73 C ATOM 1467 CG ASP A 95 3.847 4.121 5.223 1.00 1.16 C ATOM 1468 OD1 ASP A 95 3.419 4.631 4.167 1.00 1.64 O ATOM 1469 OD2 ASP A 95 3.309 4.298 6.336 1.00 1.72 O ATOM 0 H ASP A 95 5.073 4.694 2.506 1.00 0.52 H new ATOM 0 HA ASP A 95 6.557 2.537 3.759 1.00 0.53 H new ATOM 0 HB2 ASP A 95 4.842 2.255 5.557 1.00 0.73 H new ATOM 0 HB3 ASP A 95 5.865 3.662 5.768 1.00 0.73 H new ATOM 1474 N LEU A 96 5.180 1.496 1.936 1.00 0.38 N ATOM 1475 CA LEU A 96 4.377 0.653 1.065 1.00 0.36 C ATOM 1476 C LEU A 96 4.576 -0.818 1.428 1.00 0.40 C ATOM 1477 O LEU A 96 5.600 -1.420 1.104 1.00 0.53 O ATOM 1478 CB LEU A 96 4.724 0.922 -0.411 1.00 0.43 C ATOM 1479 CG LEU A 96 6.176 0.671 -0.826 1.00 0.52 C ATOM 1480 CD1 LEU A 96 6.289 0.668 -2.341 1.00 0.97 C ATOM 1481 CD2 LEU A 96 7.100 1.726 -0.236 1.00 0.89 C ATOM 0 H LEU A 96 6.182 1.459 1.750 1.00 0.38 H new ATOM 0 HA LEU A 96 3.324 0.895 1.206 1.00 0.36 H new ATOM 0 HB2 LEU A 96 4.079 0.301 -1.032 1.00 0.43 H new ATOM 0 HB3 LEU A 96 4.479 1.960 -0.636 1.00 0.43 H new ATOM 0 HG LEU A 96 6.480 -0.302 -0.441 1.00 0.52 H new ATOM 0 HD11 LEU A 96 7.325 0.489 -2.628 1.00 0.97 H new ATOM 0 HD12 LEU A 96 5.657 -0.120 -2.751 1.00 0.97 H new ATOM 0 HD13 LEU A 96 5.966 1.633 -2.732 1.00 0.97 H new ATOM 0 HD21 LEU A 96 8.126 1.525 -0.545 1.00 0.89 H new ATOM 0 HD22 LEU A 96 6.800 2.712 -0.591 1.00 0.89 H new ATOM 0 HD23 LEU A 96 7.037 1.697 0.852 1.00 0.89 H new ATOM 1493 N ASP A 97 3.595 -1.383 2.132 1.00 0.38 N ATOM 1494 CA ASP A 97 3.664 -2.774 2.572 1.00 0.44 C ATOM 1495 C ASP A 97 2.642 -3.646 1.850 1.00 0.39 C ATOM 1496 O ASP A 97 1.575 -3.173 1.457 1.00 0.40 O ATOM 1497 CB ASP A 97 3.426 -2.860 4.082 1.00 0.55 C ATOM 1498 CG ASP A 97 4.409 -2.023 4.875 1.00 1.14 C ATOM 1499 OD1 ASP A 97 5.624 -2.301 4.797 1.00 1.93 O ATOM 1500 OD2 ASP A 97 3.964 -1.090 5.574 1.00 1.45 O ATOM 0 H ASP A 97 2.742 -0.897 2.409 1.00 0.38 H new ATOM 0 HA ASP A 97 4.660 -3.144 2.330 1.00 0.44 H new ATOM 0 HB2 ASP A 97 2.411 -2.531 4.306 1.00 0.55 H new ATOM 0 HB3 ASP A 97 3.501 -3.900 4.399 1.00 0.55 H new ATOM 1505 N ILE A 98 2.969 -4.929 1.700 1.00 0.39 N ATOM 1506 CA ILE A 98 2.076 -5.879 1.048 1.00 0.36 C ATOM 1507 C ILE A 98 0.743 -5.961 1.801 1.00 0.35 C ATOM 1508 O ILE A 98 0.592 -6.748 2.734 1.00 0.53 O ATOM 1509 CB ILE A 98 2.717 -7.291 0.965 1.00 0.36 C ATOM 1510 CG1 ILE A 98 3.913 -7.294 0.008 1.00 0.48 C ATOM 1511 CG2 ILE A 98 1.686 -8.325 0.528 1.00 0.44 C ATOM 1512 CD1 ILE A 98 4.632 -8.621 -0.058 1.00 1.20 C ATOM 0 H ILE A 98 3.848 -5.333 2.023 1.00 0.39 H new ATOM 0 HA ILE A 98 1.897 -5.522 0.034 1.00 0.36 H new ATOM 0 HB ILE A 98 3.075 -7.556 1.960 1.00 0.36 H new ATOM 0 HG12 ILE A 98 3.569 -7.027 -0.991 1.00 0.48 H new ATOM 0 HG13 ILE A 98 4.618 -6.523 0.319 1.00 0.48 H new ATOM 0 HG21 ILE A 98 2.155 -9.307 0.476 1.00 0.44 H new ATOM 0 HG22 ILE A 98 0.869 -8.351 1.249 1.00 0.44 H new ATOM 0 HG23 ILE A 98 1.296 -8.057 -0.454 1.00 0.44 H new ATOM 0 HD11 ILE A 98 5.467 -8.548 -0.755 1.00 1.20 H new ATOM 0 HD12 ILE A 98 5.007 -8.881 0.932 1.00 1.20 H new ATOM 0 HD13 ILE A 98 3.941 -9.392 -0.399 1.00 1.20 H new ATOM 1524 N MET A 99 -0.219 -5.132 1.395 1.00 0.32 N ATOM 1525 CA MET A 99 -1.533 -5.107 2.035 1.00 0.36 C ATOM 1526 C MET A 99 -2.367 -6.314 1.620 1.00 0.33 C ATOM 1527 O MET A 99 -3.173 -6.819 2.397 1.00 0.37 O ATOM 1528 CB MET A 99 -2.272 -3.815 1.680 1.00 0.43 C ATOM 1529 CG MET A 99 -1.505 -2.555 2.053 1.00 0.68 C ATOM 1530 SD MET A 99 -1.041 -2.514 3.796 1.00 1.56 S ATOM 1531 CE MET A 99 -2.645 -2.637 4.582 1.00 2.37 C ATOM 0 H MET A 99 -0.113 -4.470 0.627 1.00 0.32 H new ATOM 0 HA MET A 99 -1.383 -5.148 3.114 1.00 0.36 H new ATOM 0 HB2 MET A 99 -2.474 -3.804 0.609 1.00 0.43 H new ATOM 0 HB3 MET A 99 -3.237 -3.807 2.187 1.00 0.43 H new ATOM 0 HG2 MET A 99 -0.606 -2.487 1.440 1.00 0.68 H new ATOM 0 HG3 MET A 99 -2.115 -1.681 1.823 1.00 0.68 H new ATOM 0 HE1 MET A 99 -2.815 -1.756 5.201 1.00 2.37 H new ATOM 0 HE2 MET A 99 -3.420 -2.700 3.819 1.00 2.37 H new ATOM 0 HE3 MET A 99 -2.677 -3.530 5.206 1.00 2.37 H new ATOM 1541 N LEU A 100 -2.162 -6.771 0.390 1.00 0.30 N ATOM 1542 CA LEU A 100 -2.885 -7.922 -0.136 1.00 0.30 C ATOM 1543 C LEU A 100 -2.038 -8.650 -1.169 1.00 0.31 C ATOM 1544 O LEU A 100 -1.883 -8.170 -2.287 1.00 0.58 O ATOM 1545 CB LEU A 100 -4.205 -7.478 -0.784 1.00 0.30 C ATOM 1546 CG LEU A 100 -5.468 -8.049 -0.142 1.00 0.37 C ATOM 1547 CD1 LEU A 100 -6.712 -7.484 -0.813 1.00 0.40 C ATOM 1548 CD2 LEU A 100 -5.465 -9.570 -0.216 1.00 0.43 C ATOM 0 H LEU A 100 -1.497 -6.359 -0.265 1.00 0.30 H new ATOM 0 HA LEU A 100 -3.102 -8.595 0.694 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -4.260 -6.390 -0.751 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -4.190 -7.764 -1.836 1.00 0.30 H new ATOM 0 HG LEU A 100 -5.481 -7.756 0.908 1.00 0.37 H new ATOM 0 HD11 LEU A 100 -7.601 -7.903 -0.342 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -6.722 -6.399 -0.707 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -6.705 -7.745 -1.871 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -6.372 -9.959 0.246 1.00 0.43 H new ATOM 0 HD22 LEU A 100 -5.426 -9.883 -1.259 1.00 0.43 H new ATOM 0 HD23 LEU A 100 -4.594 -9.958 0.312 1.00 0.43 H new ATOM 1560 N PHE A 101 -1.479 -9.806 -0.813 1.00 0.36 N ATOM 1561 CA PHE A 101 -0.663 -10.535 -1.774 1.00 0.36 C ATOM 1562 C PHE A 101 -1.494 -11.605 -2.484 1.00 0.38 C ATOM 1563 O PHE A 101 -2.673 -11.788 -2.181 1.00 0.88 O ATOM 1564 CB PHE A 101 0.569 -11.146 -1.105 1.00 0.46 C ATOM 1565 CG PHE A 101 1.743 -11.243 -2.038 1.00 0.70 C ATOM 1566 CD1 PHE A 101 2.304 -10.097 -2.581 1.00 1.13 C ATOM 1567 CD2 PHE A 101 2.280 -12.471 -2.379 1.00 1.10 C ATOM 1568 CE1 PHE A 101 3.380 -10.176 -3.444 1.00 1.59 C ATOM 1569 CE2 PHE A 101 3.355 -12.559 -3.243 1.00 1.59 C ATOM 1570 CZ PHE A 101 3.905 -11.410 -3.777 1.00 1.75 C ATOM 0 H PHE A 101 -1.573 -10.244 0.103 1.00 0.36 H new ATOM 0 HA PHE A 101 -0.310 -9.827 -2.523 1.00 0.36 H new ATOM 0 HB2 PHE A 101 0.845 -10.543 -0.240 1.00 0.46 H new ATOM 0 HB3 PHE A 101 0.321 -12.140 -0.734 1.00 0.46 H new ATOM 0 HD1 PHE A 101 1.895 -9.131 -2.326 1.00 1.13 H new ATOM 0 HD2 PHE A 101 1.854 -13.373 -1.965 1.00 1.10 H new ATOM 0 HE1 PHE A 101 3.810 -9.275 -3.857 1.00 1.59 H new ATOM 0 HE2 PHE A 101 3.764 -13.525 -3.500 1.00 1.59 H new ATOM 0 HZ PHE A 101 4.744 -11.476 -4.454 1.00 1.75 H new ATOM 1580 N GLY A 102 -0.880 -12.276 -3.454 1.00 0.58 N ATOM 1581 CA GLY A 102 -1.571 -13.294 -4.238 1.00 0.60 C ATOM 1582 C GLY A 102 -2.183 -14.428 -3.427 1.00 0.73 C ATOM 1583 O GLY A 102 -1.607 -15.512 -3.342 1.00 1.49 O ATOM 0 H GLY A 102 0.095 -12.133 -3.716 1.00 0.58 H new ATOM 0 HA2 GLY A 102 -2.361 -12.813 -4.814 1.00 0.60 H new ATOM 0 HA3 GLY A 102 -0.868 -13.719 -4.954 1.00 0.60 H new ATOM 1587 N ASN A 103 -3.372 -14.183 -2.873 1.00 0.56 N ATOM 1588 CA ASN A 103 -4.113 -15.184 -2.092 1.00 0.58 C ATOM 1589 C ASN A 103 -3.221 -16.020 -1.179 1.00 0.52 C ATOM 1590 O ASN A 103 -3.576 -17.144 -0.825 1.00 0.67 O ATOM 1591 CB ASN A 103 -4.891 -16.121 -3.021 1.00 0.76 C ATOM 1592 CG ASN A 103 -3.994 -16.845 -4.003 1.00 0.85 C ATOM 1593 OD1 ASN A 103 -3.602 -16.294 -5.033 1.00 1.55 O ATOM 1594 ND2 ASN A 103 -3.636 -18.079 -3.670 1.00 0.90 N ATOM 0 H ASN A 103 -3.851 -13.286 -2.951 1.00 0.56 H new ATOM 0 HA ASN A 103 -4.797 -14.621 -1.457 1.00 0.58 H new ATOM 0 HB2 ASN A 103 -5.433 -16.853 -2.422 1.00 0.76 H new ATOM 0 HB3 ASN A 103 -5.635 -15.545 -3.571 1.00 0.76 H new ATOM 0 HD21 ASN A 103 -3.012 -18.610 -4.277 1.00 0.90 H new ATOM 0 HD22 ASN A 103 -3.985 -18.496 -2.807 1.00 0.90 H new ATOM 1601 N GLU A 104 -2.072 -15.485 -0.787 1.00 0.43 N ATOM 1602 CA GLU A 104 -1.178 -16.212 0.085 1.00 0.42 C ATOM 1603 C GLU A 104 -1.036 -15.529 1.427 1.00 0.42 C ATOM 1604 O GLU A 104 -0.768 -14.330 1.514 1.00 0.58 O ATOM 1605 CB GLU A 104 0.174 -16.395 -0.572 1.00 0.51 C ATOM 1606 CG GLU A 104 0.588 -15.254 -1.481 1.00 0.56 C ATOM 1607 CD GLU A 104 1.452 -15.721 -2.637 1.00 1.57 C ATOM 1608 OE1 GLU A 104 2.469 -16.400 -2.381 1.00 2.29 O ATOM 1609 OE2 GLU A 104 1.115 -15.406 -3.797 1.00 2.14 O ATOM 0 H GLU A 104 -1.745 -14.558 -1.060 1.00 0.43 H new ATOM 0 HA GLU A 104 -1.612 -17.196 0.262 1.00 0.42 H new ATOM 0 HB2 GLU A 104 0.929 -16.517 0.205 1.00 0.51 H new ATOM 0 HB3 GLU A 104 0.161 -17.318 -1.151 1.00 0.51 H new ATOM 0 HG2 GLU A 104 -0.303 -14.763 -1.872 1.00 0.56 H new ATOM 0 HG3 GLU A 104 1.133 -14.510 -0.901 1.00 0.56 H new ATOM 1616 N VAL A 105 -1.237 -16.311 2.471 1.00 0.50 N ATOM 1617 CA VAL A 105 -1.157 -15.818 3.832 1.00 0.56 C ATOM 1618 C VAL A 105 0.166 -16.198 4.481 1.00 0.61 C ATOM 1619 O VAL A 105 0.325 -17.299 5.012 1.00 0.72 O ATOM 1620 CB VAL A 105 -2.323 -16.364 4.665 1.00 0.66 C ATOM 1621 CG1 VAL A 105 -2.103 -16.113 6.152 1.00 0.80 C ATOM 1622 CG2 VAL A 105 -3.630 -15.737 4.207 1.00 0.67 C ATOM 0 H VAL A 105 -1.460 -17.304 2.399 1.00 0.50 H new ATOM 0 HA VAL A 105 -1.219 -14.730 3.796 1.00 0.56 H new ATOM 0 HB VAL A 105 -2.375 -17.442 4.513 1.00 0.66 H new ATOM 0 HG11 VAL A 105 -2.946 -16.511 6.717 1.00 0.80 H new ATOM 0 HG12 VAL A 105 -1.186 -16.607 6.473 1.00 0.80 H new ATOM 0 HG13 VAL A 105 -2.020 -15.041 6.332 1.00 0.80 H new ATOM 0 HG21 VAL A 105 -4.452 -16.131 4.805 1.00 0.67 H new ATOM 0 HG22 VAL A 105 -3.578 -14.655 4.331 1.00 0.67 H new ATOM 0 HG23 VAL A 105 -3.799 -15.974 3.157 1.00 0.67 H new ATOM 1632 N ILE A 106 1.105 -15.267 4.441 1.00 0.58 N ATOM 1633 CA ILE A 106 2.414 -15.467 5.031 1.00 0.64 C ATOM 1634 C ILE A 106 2.893 -14.181 5.672 1.00 0.61 C ATOM 1635 O ILE A 106 3.339 -13.265 4.988 1.00 0.57 O ATOM 1636 CB ILE A 106 3.453 -15.923 3.985 1.00 0.74 C ATOM 1637 CG1 ILE A 106 2.996 -17.211 3.299 1.00 0.76 C ATOM 1638 CG2 ILE A 106 4.812 -16.121 4.644 1.00 1.31 C ATOM 1639 CD1 ILE A 106 3.903 -17.641 2.166 1.00 1.45 C ATOM 0 H ILE A 106 0.980 -14.356 4.000 1.00 0.58 H new ATOM 0 HA ILE A 106 2.316 -16.251 5.781 1.00 0.64 H new ATOM 0 HB ILE A 106 3.545 -15.146 3.226 1.00 0.74 H new ATOM 0 HG12 ILE A 106 2.946 -18.010 4.039 1.00 0.76 H new ATOM 0 HG13 ILE A 106 1.986 -17.070 2.913 1.00 0.76 H new ATOM 0 HG21 ILE A 106 5.536 -16.443 3.895 1.00 1.31 H new ATOM 0 HG22 ILE A 106 5.142 -15.181 5.087 1.00 1.31 H new ATOM 0 HG23 ILE A 106 4.732 -16.881 5.421 1.00 1.31 H new ATOM 0 HD11 ILE A 106 3.521 -18.561 1.723 1.00 1.45 H new ATOM 0 HD12 ILE A 106 3.934 -16.859 1.408 1.00 1.45 H new ATOM 0 HD13 ILE A 106 4.908 -17.813 2.550 1.00 1.45 H new ATOM 1651 N ASN A 107 2.794 -14.118 6.988 1.00 0.84 N ATOM 1652 CA ASN A 107 3.215 -12.945 7.730 1.00 0.90 C ATOM 1653 C ASN A 107 4.595 -13.184 8.299 1.00 0.91 C ATOM 1654 O ASN A 107 4.761 -13.973 9.231 1.00 1.02 O ATOM 1655 CB ASN A 107 2.224 -12.649 8.852 1.00 1.09 C ATOM 1656 CG ASN A 107 0.795 -12.946 8.445 1.00 1.00 C ATOM 1657 OD1 ASN A 107 0.390 -14.106 8.357 1.00 1.28 O ATOM 1658 ND2 ASN A 107 0.032 -11.901 8.164 1.00 1.21 N ATOM 0 H ASN A 107 2.423 -14.871 7.567 1.00 0.84 H new ATOM 0 HA ASN A 107 3.245 -12.084 7.062 1.00 0.90 H new ATOM 0 HB2 ASN A 107 2.482 -13.244 9.729 1.00 1.09 H new ATOM 0 HB3 ASN A 107 2.308 -11.601 9.142 1.00 1.09 H new ATOM 0 HD21 ASN A 107 -0.932 -12.040 7.861 1.00 1.21 H new ATOM 0 HD22 ASN A 107 0.408 -10.957 8.251 1.00 1.21 H new ATOM 1665 N THR A 108 5.592 -12.530 7.725 1.00 0.86 N ATOM 1666 CA THR A 108 6.962 -12.731 8.196 1.00 0.89 C ATOM 1667 C THR A 108 7.426 -11.614 9.133 1.00 0.91 C ATOM 1668 O THR A 108 6.665 -11.153 9.986 1.00 1.16 O ATOM 1669 CB THR A 108 7.927 -12.893 7.021 1.00 0.90 C ATOM 1670 OG1 THR A 108 8.036 -11.695 6.289 1.00 1.07 O ATOM 1671 CG2 THR A 108 7.515 -13.985 6.059 1.00 0.92 C ATOM 0 H THR A 108 5.489 -11.872 6.953 1.00 0.86 H new ATOM 0 HA THR A 108 6.965 -13.654 8.776 1.00 0.89 H new ATOM 0 HB THR A 108 8.883 -13.165 7.469 1.00 0.90 H new ATOM 0 HG1 THR A 108 8.762 -11.776 5.636 1.00 1.07 H new ATOM 0 HG21 THR A 108 8.241 -14.049 5.248 1.00 0.92 H new ATOM 0 HG22 THR A 108 7.475 -14.938 6.586 1.00 0.92 H new ATOM 0 HG23 THR A 108 6.532 -13.756 5.648 1.00 0.92 H new ATOM 1679 N GLU A 109 8.686 -11.206 8.990 1.00 0.83 N ATOM 1680 CA GLU A 109 9.262 -10.170 9.845 1.00 0.86 C ATOM 1681 C GLU A 109 8.777 -8.780 9.452 1.00 0.73 C ATOM 1682 O GLU A 109 7.776 -8.288 9.976 1.00 0.87 O ATOM 1683 CB GLU A 109 10.792 -10.225 9.782 1.00 0.95 C ATOM 1684 CG GLU A 109 11.372 -11.576 10.172 1.00 1.22 C ATOM 1685 CD GLU A 109 11.096 -11.945 11.619 1.00 1.93 C ATOM 1686 OE1 GLU A 109 10.485 -11.128 12.339 1.00 2.60 O ATOM 1687 OE2 GLU A 109 11.499 -13.054 12.033 1.00 2.37 O ATOM 0 H GLU A 109 9.328 -11.578 8.290 1.00 0.83 H new ATOM 0 HA GLU A 109 8.932 -10.363 10.866 1.00 0.86 H new ATOM 0 HB2 GLU A 109 11.114 -9.980 8.770 1.00 0.95 H new ATOM 0 HB3 GLU A 109 11.202 -9.460 10.441 1.00 0.95 H new ATOM 0 HG2 GLU A 109 10.956 -12.345 9.521 1.00 1.22 H new ATOM 0 HG3 GLU A 109 12.449 -11.565 10.005 1.00 1.22 H new ATOM 1694 N ARG A 110 9.485 -8.151 8.520 1.00 0.63 N ATOM 1695 CA ARG A 110 9.121 -6.824 8.050 1.00 0.64 C ATOM 1696 C ARG A 110 7.939 -6.943 7.115 1.00 0.66 C ATOM 1697 O ARG A 110 7.231 -5.972 6.845 1.00 0.77 O ATOM 1698 CB ARG A 110 10.299 -6.172 7.320 1.00 0.63 C ATOM 1699 CG ARG A 110 11.577 -6.137 8.143 1.00 0.86 C ATOM 1700 CD ARG A 110 12.771 -5.699 7.309 1.00 1.64 C ATOM 1701 NE ARG A 110 12.611 -4.348 6.774 1.00 2.22 N ATOM 1702 CZ ARG A 110 12.556 -3.253 7.528 1.00 2.77 C ATOM 1703 NH1 ARG A 110 12.640 -3.345 8.849 1.00 3.01 N ATOM 1704 NH2 ARG A 110 12.421 -2.063 6.959 1.00 3.68 N ATOM 0 H ARG A 110 10.316 -8.542 8.076 1.00 0.63 H new ATOM 0 HA ARG A 110 8.858 -6.199 8.903 1.00 0.64 H new ATOM 0 HB2 ARG A 110 10.487 -6.714 6.394 1.00 0.63 H new ATOM 0 HB3 ARG A 110 10.026 -5.154 7.043 1.00 0.63 H new ATOM 0 HG2 ARG A 110 11.450 -5.455 8.983 1.00 0.86 H new ATOM 0 HG3 ARG A 110 11.768 -7.125 8.561 1.00 0.86 H new ATOM 0 HD2 ARG A 110 13.673 -5.740 7.920 1.00 1.64 H new ATOM 0 HD3 ARG A 110 12.912 -6.399 6.485 1.00 1.64 H new ATOM 0 HE ARG A 110 12.537 -4.238 5.763 1.00 2.22 H new ATOM 0 HH11 ARG A 110 12.747 -4.258 9.291 1.00 3.01 H new ATOM 0 HH12 ARG A 110 12.597 -2.503 9.423 1.00 3.01 H new ATOM 0 HH21 ARG A 110 12.359 -1.987 5.944 1.00 3.68 H new ATOM 0 HH22 ARG A 110 12.379 -1.223 7.537 1.00 3.68 H new ATOM 1718 N LEU A 111 7.734 -8.160 6.632 1.00 0.62 N ATOM 1719 CA LEU A 111 6.644 -8.451 5.724 1.00 0.63 C ATOM 1720 C LEU A 111 5.401 -8.894 6.480 1.00 0.56 C ATOM 1721 O LEU A 111 5.470 -9.666 7.436 1.00 0.66 O ATOM 1722 CB LEU A 111 7.059 -9.543 4.720 1.00 0.73 C ATOM 1723 CG LEU A 111 5.932 -10.186 3.900 1.00 0.94 C ATOM 1724 CD1 LEU A 111 5.148 -11.183 4.732 1.00 1.15 C ATOM 1725 CD2 LEU A 111 5.005 -9.135 3.310 1.00 1.64 C ATOM 0 H LEU A 111 8.317 -8.966 6.859 1.00 0.62 H new ATOM 0 HA LEU A 111 6.409 -7.535 5.182 1.00 0.63 H new ATOM 0 HB2 LEU A 111 7.781 -9.112 4.027 1.00 0.73 H new ATOM 0 HB3 LEU A 111 7.574 -10.332 5.268 1.00 0.73 H new ATOM 0 HG LEU A 111 6.398 -10.724 3.075 1.00 0.94 H new ATOM 0 HD11 LEU A 111 4.357 -11.622 4.124 1.00 1.15 H new ATOM 0 HD12 LEU A 111 5.816 -11.970 5.081 1.00 1.15 H new ATOM 0 HD13 LEU A 111 4.707 -10.674 5.589 1.00 1.15 H new ATOM 0 HD21 LEU A 111 4.219 -9.625 2.736 1.00 1.64 H new ATOM 0 HD22 LEU A 111 4.557 -8.552 4.115 1.00 1.64 H new ATOM 0 HD23 LEU A 111 5.574 -8.474 2.656 1.00 1.64 H new ATOM 1737 N THR A 112 4.268 -8.425 5.998 1.00 0.46 N ATOM 1738 CA THR A 112 2.974 -8.772 6.545 1.00 0.42 C ATOM 1739 C THR A 112 1.998 -8.938 5.398 1.00 0.39 C ATOM 1740 O THR A 112 1.854 -8.033 4.576 1.00 0.43 O ATOM 1741 CB THR A 112 2.469 -7.688 7.498 1.00 0.45 C ATOM 1742 OG1 THR A 112 2.843 -6.401 7.040 1.00 0.65 O ATOM 1743 CG2 THR A 112 2.960 -7.843 8.921 1.00 0.68 C ATOM 0 H THR A 112 4.220 -7.784 5.206 1.00 0.46 H new ATOM 0 HA THR A 112 3.063 -9.699 7.111 1.00 0.42 H new ATOM 0 HB THR A 112 1.385 -7.803 7.505 1.00 0.45 H new ATOM 0 HG1 THR A 112 2.509 -5.722 7.663 1.00 0.65 H new ATOM 0 HG21 THR A 112 2.558 -7.036 9.534 1.00 0.68 H new ATOM 0 HG22 THR A 112 2.627 -8.802 9.319 1.00 0.68 H new ATOM 0 HG23 THR A 112 4.049 -7.803 8.936 1.00 0.68 H new ATOM 1751 N VAL A 113 1.320 -10.073 5.329 1.00 0.36 N ATOM 1752 CA VAL A 113 0.370 -10.278 4.259 1.00 0.38 C ATOM 1753 C VAL A 113 -0.954 -9.641 4.668 1.00 0.32 C ATOM 1754 O VAL A 113 -1.003 -9.054 5.747 1.00 0.30 O ATOM 1755 CB VAL A 113 0.177 -11.768 3.922 1.00 0.45 C ATOM 1756 CG1 VAL A 113 1.315 -12.265 3.056 1.00 1.52 C ATOM 1757 CG2 VAL A 113 0.044 -12.595 5.186 1.00 1.18 C ATOM 0 H VAL A 113 1.409 -10.847 5.987 1.00 0.36 H new ATOM 0 HA VAL A 113 0.756 -9.810 3.353 1.00 0.38 H new ATOM 0 HB VAL A 113 -0.749 -11.878 3.358 1.00 0.45 H new ATOM 0 HG11 VAL A 113 1.164 -13.320 2.827 1.00 1.52 H new ATOM 0 HG12 VAL A 113 1.344 -11.692 2.129 1.00 1.52 H new ATOM 0 HG13 VAL A 113 2.258 -12.141 3.588 1.00 1.52 H new ATOM 0 HG21 VAL A 113 -0.091 -13.644 4.922 1.00 1.18 H new ATOM 0 HG22 VAL A 113 0.946 -12.486 5.789 1.00 1.18 H new ATOM 0 HG23 VAL A 113 -0.818 -12.250 5.757 1.00 1.18 H new ATOM 1767 N PRO A 114 -2.048 -9.724 3.856 1.00 0.35 N ATOM 1768 CA PRO A 114 -3.334 -9.139 4.199 1.00 0.36 C ATOM 1769 C PRO A 114 -3.451 -8.822 5.684 1.00 0.33 C ATOM 1770 O PRO A 114 -3.862 -9.657 6.489 1.00 0.35 O ATOM 1771 CB PRO A 114 -4.279 -10.253 3.759 1.00 0.43 C ATOM 1772 CG PRO A 114 -3.604 -10.875 2.562 1.00 0.46 C ATOM 1773 CD PRO A 114 -2.163 -10.391 2.554 1.00 0.42 C ATOM 0 HA PRO A 114 -3.530 -8.175 3.729 1.00 0.36 H new ATOM 0 HB2 PRO A 114 -4.428 -10.984 4.554 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -5.262 -9.860 3.500 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -3.644 -11.963 2.620 1.00 0.46 H new ATOM 0 HG3 PRO A 114 -4.111 -10.586 1.642 1.00 0.46 H new ATOM 0 HD2 PRO A 114 -1.458 -11.216 2.457 1.00 0.42 H new ATOM 0 HD3 PRO A 114 -1.969 -9.707 1.728 1.00 0.42 H new ATOM 1781 N HIS A 115 -3.038 -7.605 6.031 1.00 0.33 N ATOM 1782 CA HIS A 115 -3.034 -7.143 7.404 1.00 0.33 C ATOM 1783 C HIS A 115 -4.426 -6.745 7.848 1.00 0.34 C ATOM 1784 O HIS A 115 -5.041 -5.859 7.255 1.00 0.46 O ATOM 1785 CB HIS A 115 -2.089 -5.947 7.528 1.00 0.39 C ATOM 1786 CG HIS A 115 -1.844 -5.488 8.931 1.00 0.44 C ATOM 1787 ND1 HIS A 115 -2.857 -5.202 9.822 1.00 0.97 N ATOM 1788 CD2 HIS A 115 -0.685 -5.242 9.587 1.00 0.76 C ATOM 1789 CE1 HIS A 115 -2.331 -4.802 10.967 1.00 0.87 C ATOM 1790 NE2 HIS A 115 -1.016 -4.820 10.849 1.00 0.67 N ATOM 0 H HIS A 115 -2.697 -6.915 5.361 1.00 0.33 H new ATOM 0 HA HIS A 115 -2.694 -7.956 8.046 1.00 0.33 H new ATOM 0 HB2 HIS A 115 -1.133 -6.207 7.073 1.00 0.39 H new ATOM 0 HB3 HIS A 115 -2.499 -5.116 6.954 1.00 0.39 H new ATOM 0 HD2 HIS A 115 0.313 -5.357 9.190 1.00 0.76 H new ATOM 0 HE1 HIS A 115 -2.883 -4.510 11.848 1.00 0.87 H new ATOM 0 HE2 HIS A 115 -0.353 -4.561 11.579 1.00 0.67 H new ATOM 1799 N TYR A 116 -4.911 -7.384 8.904 1.00 0.34 N ATOM 1800 CA TYR A 116 -6.224 -7.060 9.436 1.00 0.42 C ATOM 1801 C TYR A 116 -6.262 -5.587 9.814 1.00 0.43 C ATOM 1802 O TYR A 116 -5.915 -5.208 10.932 1.00 0.49 O ATOM 1803 CB TYR A 116 -6.559 -7.947 10.644 1.00 0.52 C ATOM 1804 CG TYR A 116 -5.359 -8.369 11.479 1.00 0.70 C ATOM 1805 CD1 TYR A 116 -4.324 -7.473 11.725 1.00 1.13 C ATOM 1806 CD2 TYR A 116 -5.253 -9.650 12.015 1.00 0.89 C ATOM 1807 CE1 TYR A 116 -3.226 -7.838 12.480 1.00 1.64 C ATOM 1808 CE2 TYR A 116 -4.158 -10.020 12.770 1.00 1.31 C ATOM 1809 CZ TYR A 116 -3.179 -9.174 13.014 1.00 1.68 C ATOM 1810 OH TYR A 116 -2.053 -9.478 13.750 1.00 2.22 O ATOM 0 H TYR A 116 -4.418 -8.124 9.405 1.00 0.34 H new ATOM 0 HA TYR A 116 -6.978 -7.251 8.672 1.00 0.42 H new ATOM 0 HB2 TYR A 116 -7.260 -7.413 11.285 1.00 0.52 H new ATOM 0 HB3 TYR A 116 -7.070 -8.842 10.289 1.00 0.52 H new ATOM 0 HD1 TYR A 116 -4.380 -6.474 11.319 1.00 1.13 H new ATOM 0 HD2 TYR A 116 -6.041 -10.367 11.837 1.00 0.89 H new ATOM 0 HE1 TYR A 116 -2.424 -7.139 12.665 1.00 1.64 H new ATOM 0 HE2 TYR A 116 -4.103 -11.022 13.168 1.00 1.31 H new ATOM 0 HH TYR A 116 -2.111 -10.402 14.071 1.00 2.22 H new ATOM 1820 N ASP A 117 -6.655 -4.758 8.851 1.00 0.42 N ATOM 1821 CA ASP A 117 -6.703 -3.320 9.057 1.00 0.50 C ATOM 1822 C ASP A 117 -7.309 -2.629 7.844 1.00 0.52 C ATOM 1823 O ASP A 117 -8.258 -1.853 7.958 1.00 0.73 O ATOM 1824 CB ASP A 117 -5.283 -2.795 9.270 1.00 0.52 C ATOM 1825 CG ASP A 117 -5.259 -1.439 9.948 1.00 0.67 C ATOM 1826 OD1 ASP A 117 -5.833 -0.484 9.384 1.00 1.07 O ATOM 1827 OD2 ASP A 117 -4.665 -1.331 11.041 1.00 0.87 O ATOM 0 H ASP A 117 -6.944 -5.061 7.921 1.00 0.42 H new ATOM 0 HA ASP A 117 -7.319 -3.110 9.931 1.00 0.50 H new ATOM 0 HB2 ASP A 117 -4.722 -3.509 9.873 1.00 0.52 H new ATOM 0 HB3 ASP A 117 -4.777 -2.725 8.307 1.00 0.52 H new ATOM 1832 N MET A 118 -6.733 -2.920 6.681 1.00 0.38 N ATOM 1833 CA MET A 118 -7.174 -2.339 5.420 1.00 0.39 C ATOM 1834 C MET A 118 -8.667 -2.544 5.179 1.00 0.38 C ATOM 1835 O MET A 118 -9.369 -1.628 4.751 1.00 0.45 O ATOM 1836 CB MET A 118 -6.386 -2.962 4.272 1.00 0.44 C ATOM 1837 CG MET A 118 -6.528 -4.473 4.173 1.00 0.48 C ATOM 1838 SD MET A 118 -5.593 -5.166 2.797 1.00 1.29 S ATOM 1839 CE MET A 118 -6.295 -4.265 1.418 1.00 2.05 C ATOM 0 H MET A 118 -5.948 -3.565 6.588 1.00 0.38 H new ATOM 0 HA MET A 118 -6.993 -1.265 5.471 1.00 0.39 H new ATOM 0 HB2 MET A 118 -6.715 -2.514 3.334 1.00 0.44 H new ATOM 0 HB3 MET A 118 -5.331 -2.713 4.392 1.00 0.44 H new ATOM 0 HG2 MET A 118 -6.189 -4.928 5.104 1.00 0.48 H new ATOM 0 HG3 MET A 118 -7.581 -4.729 4.058 1.00 0.48 H new ATOM 0 HE1 MET A 118 -6.551 -4.962 0.620 1.00 2.05 H new ATOM 0 HE2 MET A 118 -7.194 -3.742 1.745 1.00 2.05 H new ATOM 0 HE3 MET A 118 -5.568 -3.542 1.048 1.00 2.05 H new ATOM 1849 N LYS A 119 -9.134 -3.752 5.442 1.00 0.40 N ATOM 1850 CA LYS A 119 -10.534 -4.112 5.240 1.00 0.47 C ATOM 1851 C LYS A 119 -11.454 -3.426 6.247 1.00 0.50 C ATOM 1852 O LYS A 119 -12.649 -3.715 6.306 1.00 0.80 O ATOM 1853 CB LYS A 119 -10.685 -5.626 5.332 1.00 0.57 C ATOM 1854 CG LYS A 119 -9.941 -6.223 6.514 1.00 0.69 C ATOM 1855 CD LYS A 119 -10.095 -7.737 6.577 1.00 0.80 C ATOM 1856 CE LYS A 119 -9.478 -8.418 5.364 1.00 1.02 C ATOM 1857 NZ LYS A 119 -8.020 -8.143 5.254 1.00 1.93 N ATOM 0 H LYS A 119 -8.557 -4.513 5.801 1.00 0.40 H new ATOM 0 HA LYS A 119 -10.831 -3.769 4.249 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -11.743 -5.877 5.411 1.00 0.57 H new ATOM 0 HB3 LYS A 119 -10.318 -6.079 4.411 1.00 0.57 H new ATOM 0 HG2 LYS A 119 -8.884 -5.968 6.443 1.00 0.69 H new ATOM 0 HG3 LYS A 119 -10.314 -5.782 7.438 1.00 0.69 H new ATOM 0 HD2 LYS A 119 -9.623 -8.113 7.485 1.00 0.80 H new ATOM 0 HD3 LYS A 119 -11.153 -7.993 6.639 1.00 0.80 H new ATOM 0 HE2 LYS A 119 -9.640 -9.494 5.430 1.00 1.02 H new ATOM 0 HE3 LYS A 119 -9.981 -8.075 4.460 1.00 1.02 H new ATOM 0 HZ1 LYS A 119 -7.593 -8.801 4.571 1.00 1.93 H new ATOM 0 HZ2 LYS A 119 -7.875 -7.165 4.931 1.00 1.93 H new ATOM 0 HZ3 LYS A 119 -7.572 -8.271 6.184 1.00 1.93 H new ATOM 1871 N ASN A 120 -10.893 -2.512 7.027 1.00 0.49 N ATOM 1872 CA ASN A 120 -11.663 -1.774 8.022 1.00 0.52 C ATOM 1873 C ASN A 120 -11.458 -0.278 7.820 1.00 0.56 C ATOM 1874 O ASN A 120 -11.658 0.519 8.736 1.00 0.74 O ATOM 1875 CB ASN A 120 -11.221 -2.172 9.432 1.00 0.53 C ATOM 1876 CG ASN A 120 -11.182 -3.673 9.625 1.00 1.17 C ATOM 1877 OD1 ASN A 120 -12.174 -4.370 9.414 1.00 2.11 O ATOM 1878 ND2 ASN A 120 -10.028 -4.174 10.040 1.00 1.30 N ATOM 0 H ASN A 120 -9.905 -2.263 6.990 1.00 0.49 H new ATOM 0 HA ASN A 120 -12.720 -2.014 7.904 1.00 0.52 H new ATOM 0 HB2 ASN A 120 -10.232 -1.758 9.630 1.00 0.53 H new ATOM 0 HB3 ASN A 120 -11.902 -1.733 10.161 1.00 0.53 H new ATOM 0 HD21 ASN A 120 -9.935 -5.177 10.198 1.00 1.30 H new ATOM 0 HD22 ASN A 120 -9.233 -3.556 10.202 1.00 1.30 H new ATOM 1885 N ARG A 121 -11.038 0.084 6.611 1.00 0.49 N ATOM 1886 CA ARG A 121 -10.768 1.476 6.257 1.00 0.58 C ATOM 1887 C ARG A 121 -11.091 1.713 4.783 1.00 0.63 C ATOM 1888 O ARG A 121 -11.765 0.902 4.146 1.00 1.07 O ATOM 1889 CB ARG A 121 -9.287 1.794 6.505 1.00 0.64 C ATOM 1890 CG ARG A 121 -8.728 1.215 7.797 1.00 0.91 C ATOM 1891 CD ARG A 121 -9.210 1.981 9.023 1.00 1.24 C ATOM 1892 NE ARG A 121 -8.699 3.346 9.057 1.00 1.84 N ATOM 1893 CZ ARG A 121 -8.991 4.218 10.019 1.00 2.55 C ATOM 1894 NH1 ARG A 121 -9.790 3.867 11.017 1.00 2.86 N ATOM 1895 NH2 ARG A 121 -8.482 5.442 9.981 1.00 3.50 N ATOM 0 H ARG A 121 -10.875 -0.576 5.851 1.00 0.49 H new ATOM 0 HA ARG A 121 -11.392 2.124 6.873 1.00 0.58 H new ATOM 0 HB2 ARG A 121 -8.701 1.415 5.668 1.00 0.64 H new ATOM 0 HB3 ARG A 121 -9.158 2.876 6.520 1.00 0.64 H new ATOM 0 HG2 ARG A 121 -9.024 0.170 7.883 1.00 0.91 H new ATOM 0 HG3 ARG A 121 -7.639 1.236 7.762 1.00 0.91 H new ATOM 0 HD2 ARG A 121 -10.300 2.003 9.030 1.00 1.24 H new ATOM 0 HD3 ARG A 121 -8.896 1.455 9.924 1.00 1.24 H new ATOM 0 HE ARG A 121 -8.084 3.649 8.302 1.00 1.84 H new ATOM 0 HH11 ARG A 121 -10.183 2.926 11.049 1.00 2.86 H new ATOM 0 HH12 ARG A 121 -10.012 4.538 11.753 1.00 2.86 H new ATOM 0 HH21 ARG A 121 -7.867 5.715 9.215 1.00 3.50 H new ATOM 0 HH22 ARG A 121 -8.706 6.110 10.718 1.00 3.50 H new ATOM 1909 N GLY A 122 -10.590 2.820 4.242 1.00 0.62 N ATOM 1910 CA GLY A 122 -10.809 3.139 2.844 1.00 0.61 C ATOM 1911 C GLY A 122 -9.514 3.481 2.145 1.00 0.56 C ATOM 1912 O GLY A 122 -9.454 3.526 0.920 1.00 0.70 O ATOM 0 H GLY A 122 -10.033 3.505 4.752 1.00 0.62 H new ATOM 0 HA2 GLY A 122 -11.280 2.292 2.346 1.00 0.61 H new ATOM 0 HA3 GLY A 122 -11.499 3.979 2.765 1.00 0.61 H new ATOM 1916 N PHE A 123 -8.473 3.717 2.930 1.00 0.52 N ATOM 1917 CA PHE A 123 -7.172 4.065 2.391 1.00 0.58 C ATOM 1918 C PHE A 123 -6.604 2.899 1.600 1.00 0.42 C ATOM 1919 O PHE A 123 -6.014 3.079 0.536 1.00 0.43 O ATOM 1920 CB PHE A 123 -6.218 4.463 3.525 1.00 0.84 C ATOM 1921 CG PHE A 123 -6.891 5.236 4.629 1.00 1.19 C ATOM 1922 CD1 PHE A 123 -7.539 4.573 5.658 1.00 1.62 C ATOM 1923 CD2 PHE A 123 -6.889 6.619 4.626 1.00 2.11 C ATOM 1924 CE1 PHE A 123 -8.170 5.277 6.665 1.00 2.59 C ATOM 1925 CE2 PHE A 123 -7.517 7.328 5.632 1.00 3.16 C ATOM 1926 CZ PHE A 123 -8.161 6.656 6.653 1.00 3.31 C ATOM 0 H PHE A 123 -8.508 3.673 3.948 1.00 0.52 H new ATOM 0 HA PHE A 123 -7.284 4.916 1.720 1.00 0.58 H new ATOM 0 HB2 PHE A 123 -5.768 3.563 3.944 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -5.407 5.063 3.113 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -7.551 3.493 5.673 1.00 1.62 H new ATOM 0 HD2 PHE A 123 -6.391 7.151 3.829 1.00 2.11 H new ATOM 0 HE1 PHE A 123 -8.671 4.747 7.462 1.00 2.59 H new ATOM 0 HE2 PHE A 123 -7.504 8.408 5.620 1.00 3.16 H new ATOM 0 HZ PHE A 123 -8.655 7.208 7.438 1.00 3.31 H new ATOM 1936 N MET A 124 -6.788 1.704 2.136 1.00 0.37 N ATOM 1937 CA MET A 124 -6.301 0.490 1.494 1.00 0.38 C ATOM 1938 C MET A 124 -7.342 -0.144 0.565 1.00 0.38 C ATOM 1939 O MET A 124 -6.985 -0.783 -0.422 1.00 0.57 O ATOM 1940 CB MET A 124 -5.862 -0.523 2.547 1.00 0.50 C ATOM 1941 CG MET A 124 -4.597 -0.127 3.296 1.00 0.90 C ATOM 1942 SD MET A 124 -4.757 1.429 4.195 1.00 1.99 S ATOM 1943 CE MET A 124 -6.099 1.040 5.318 1.00 2.44 C ATOM 0 H MET A 124 -7.274 1.546 3.019 1.00 0.37 H new ATOM 0 HA MET A 124 -5.449 0.777 0.878 1.00 0.38 H new ATOM 0 HB2 MET A 124 -6.670 -0.658 3.266 1.00 0.50 H new ATOM 0 HB3 MET A 124 -5.700 -1.487 2.064 1.00 0.50 H new ATOM 0 HG2 MET A 124 -4.336 -0.919 3.998 1.00 0.90 H new ATOM 0 HG3 MET A 124 -3.774 -0.046 2.587 1.00 0.90 H new ATOM 0 HE1 MET A 124 -6.362 1.928 5.892 1.00 2.44 H new ATOM 0 HE2 MET A 124 -6.966 0.707 4.747 1.00 2.44 H new ATOM 0 HE3 MET A 124 -5.786 0.248 5.998 1.00 2.44 H new ATOM 1953 N LEU A 125 -8.623 -0.002 0.904 1.00 0.37 N ATOM 1954 CA LEU A 125 -9.705 -0.604 0.115 1.00 0.41 C ATOM 1955 C LEU A 125 -10.101 0.224 -1.106 1.00 0.34 C ATOM 1956 O LEU A 125 -10.192 -0.305 -2.217 1.00 0.40 O ATOM 1957 CB LEU A 125 -10.950 -0.813 0.984 1.00 0.53 C ATOM 1958 CG LEU A 125 -10.818 -1.829 2.117 1.00 0.61 C ATOM 1959 CD1 LEU A 125 -12.127 -1.939 2.883 1.00 0.85 C ATOM 1960 CD2 LEU A 125 -10.401 -3.189 1.577 1.00 0.76 C ATOM 0 H LEU A 125 -8.940 0.524 1.719 1.00 0.37 H new ATOM 0 HA LEU A 125 -9.314 -1.557 -0.241 1.00 0.41 H new ATOM 0 HB2 LEU A 125 -11.232 0.147 1.416 1.00 0.53 H new ATOM 0 HB3 LEU A 125 -11.771 -1.125 0.338 1.00 0.53 H new ATOM 0 HG LEU A 125 -10.043 -1.482 2.800 1.00 0.61 H new ATOM 0 HD11 LEU A 125 -12.018 -2.667 3.687 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -12.384 -0.968 3.305 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -12.918 -2.262 2.207 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -10.313 -3.897 2.402 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -11.151 -3.546 0.871 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -9.440 -3.100 1.071 1.00 0.76 H new ATOM 1972 N TRP A 126 -10.389 1.503 -0.893 1.00 0.31 N ATOM 1973 CA TRP A 126 -10.836 2.378 -1.973 1.00 0.32 C ATOM 1974 C TRP A 126 -9.877 2.372 -3.177 1.00 0.29 C ATOM 1975 O TRP A 126 -10.300 2.074 -4.295 1.00 0.31 O ATOM 1976 CB TRP A 126 -11.044 3.791 -1.435 1.00 0.38 C ATOM 1977 CG TRP A 126 -11.539 4.777 -2.445 1.00 0.46 C ATOM 1978 CD1 TRP A 126 -11.149 6.072 -2.546 1.00 0.46 C ATOM 1979 CD2 TRP A 126 -12.510 4.562 -3.480 1.00 0.93 C ATOM 1980 NE1 TRP A 126 -11.810 6.687 -3.580 1.00 0.54 N ATOM 1981 CE2 TRP A 126 -12.649 5.780 -4.172 1.00 0.94 C ATOM 1982 CE3 TRP A 126 -13.270 3.463 -3.894 1.00 1.45 C ATOM 1983 CZ2 TRP A 126 -13.519 5.929 -5.249 1.00 1.42 C ATOM 1984 CZ3 TRP A 126 -14.132 3.613 -4.963 1.00 1.96 C ATOM 1985 CH2 TRP A 126 -14.250 4.838 -5.631 1.00 1.93 C ATOM 0 H TRP A 126 -10.321 1.958 0.017 1.00 0.31 H new ATOM 0 HA TRP A 126 -11.785 1.992 -2.344 1.00 0.32 H new ATOM 0 HB2 TRP A 126 -11.754 3.750 -0.609 1.00 0.38 H new ATOM 0 HB3 TRP A 126 -10.100 4.152 -1.027 1.00 0.38 H new ATOM 0 HD1 TRP A 126 -10.423 6.550 -1.905 1.00 0.46 H new ATOM 0 HE1 TRP A 126 -11.695 7.661 -3.862 1.00 0.54 H new ATOM 0 HE3 TRP A 126 -13.184 2.513 -3.387 1.00 1.45 H new ATOM 0 HZ2 TRP A 126 -13.613 6.873 -5.765 1.00 1.42 H new ATOM 0 HZ3 TRP A 126 -14.725 2.771 -5.289 1.00 1.96 H new ATOM 0 HH2 TRP A 126 -14.932 4.923 -6.464 1.00 1.93 H new ATOM 1996 N PRO A 127 -8.579 2.698 -2.988 1.00 0.28 N ATOM 1997 CA PRO A 127 -7.606 2.722 -4.093 1.00 0.29 C ATOM 1998 C PRO A 127 -7.372 1.343 -4.707 1.00 0.28 C ATOM 1999 O PRO A 127 -7.312 1.202 -5.928 1.00 0.31 O ATOM 2000 CB PRO A 127 -6.316 3.231 -3.438 1.00 0.30 C ATOM 2001 CG PRO A 127 -6.752 3.865 -2.166 1.00 0.31 C ATOM 2002 CD PRO A 127 -7.954 3.084 -1.715 1.00 0.29 C ATOM 0 HA PRO A 127 -7.960 3.344 -4.915 1.00 0.29 H new ATOM 0 HB2 PRO A 127 -5.619 2.414 -3.253 1.00 0.30 H new ATOM 0 HB3 PRO A 127 -5.804 3.947 -4.080 1.00 0.30 H new ATOM 0 HG2 PRO A 127 -5.959 3.830 -1.419 1.00 0.31 H new ATOM 0 HG3 PRO A 127 -7.001 4.915 -2.317 1.00 0.31 H new ATOM 0 HD2 PRO A 127 -7.673 2.214 -1.121 1.00 0.29 H new ATOM 0 HD3 PRO A 127 -8.623 3.687 -1.101 1.00 0.29 H new ATOM 2010 N LEU A 128 -7.235 0.331 -3.854 1.00 0.25 N ATOM 2011 CA LEU A 128 -7.005 -1.040 -4.312 1.00 0.26 C ATOM 2012 C LEU A 128 -8.120 -1.472 -5.254 1.00 0.27 C ATOM 2013 O LEU A 128 -7.905 -2.261 -6.175 1.00 0.29 O ATOM 2014 CB LEU A 128 -6.951 -1.988 -3.114 1.00 0.26 C ATOM 2015 CG LEU A 128 -5.882 -3.068 -3.164 1.00 0.29 C ATOM 2016 CD1 LEU A 128 -4.520 -2.477 -2.844 1.00 0.30 C ATOM 2017 CD2 LEU A 128 -6.222 -4.190 -2.194 1.00 0.44 C ATOM 0 H LEU A 128 -7.279 0.433 -2.840 1.00 0.25 H new ATOM 0 HA LEU A 128 -6.054 -1.076 -4.844 1.00 0.26 H new ATOM 0 HB2 LEU A 128 -6.797 -1.394 -2.213 1.00 0.26 H new ATOM 0 HB3 LEU A 128 -7.923 -2.471 -3.015 1.00 0.26 H new ATOM 0 HG LEU A 128 -5.848 -3.482 -4.172 1.00 0.29 H new ATOM 0 HD11 LEU A 128 -3.764 -3.262 -2.883 1.00 0.30 H new ATOM 0 HD12 LEU A 128 -4.278 -1.704 -3.573 1.00 0.30 H new ATOM 0 HD13 LEU A 128 -4.538 -2.041 -1.845 1.00 0.30 H new ATOM 0 HD21 LEU A 128 -5.449 -4.957 -2.239 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -6.278 -3.791 -1.181 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -7.183 -4.627 -2.466 1.00 0.44 H new ATOM 2029 N PHE A 129 -9.310 -0.943 -5.005 1.00 0.28 N ATOM 2030 CA PHE A 129 -10.494 -1.246 -5.809 1.00 0.30 C ATOM 2031 C PHE A 129 -10.242 -0.955 -7.291 1.00 0.30 C ATOM 2032 O PHE A 129 -11.014 -1.360 -8.155 1.00 0.32 O ATOM 2033 CB PHE A 129 -11.678 -0.406 -5.308 1.00 0.36 C ATOM 2034 CG PHE A 129 -12.940 -0.566 -6.110 1.00 0.42 C ATOM 2035 CD1 PHE A 129 -13.643 -1.759 -6.097 1.00 0.47 C ATOM 2036 CD2 PHE A 129 -13.429 0.486 -6.870 1.00 0.48 C ATOM 2037 CE1 PHE A 129 -14.805 -1.903 -6.830 1.00 0.55 C ATOM 2038 CE2 PHE A 129 -14.591 0.347 -7.604 1.00 0.56 C ATOM 2039 CZ PHE A 129 -15.281 -0.849 -7.586 1.00 0.58 C ATOM 0 H PHE A 129 -9.486 -0.291 -4.240 1.00 0.28 H new ATOM 0 HA PHE A 129 -10.722 -2.307 -5.706 1.00 0.30 H new ATOM 0 HB2 PHE A 129 -11.885 -0.674 -4.272 1.00 0.36 H new ATOM 0 HB3 PHE A 129 -11.390 0.645 -5.314 1.00 0.36 H new ATOM 0 HD1 PHE A 129 -13.278 -2.587 -5.507 1.00 0.47 H new ATOM 0 HD2 PHE A 129 -12.895 1.425 -6.888 1.00 0.48 H new ATOM 0 HE1 PHE A 129 -15.342 -2.840 -6.812 1.00 0.55 H new ATOM 0 HE2 PHE A 129 -14.960 1.174 -8.192 1.00 0.56 H new ATOM 0 HZ PHE A 129 -16.189 -0.960 -8.160 1.00 0.58 H new ATOM 2049 N GLU A 130 -9.167 -0.233 -7.570 1.00 0.29 N ATOM 2050 CA GLU A 130 -8.822 0.132 -8.938 1.00 0.31 C ATOM 2051 C GLU A 130 -7.662 -0.705 -9.467 1.00 0.29 C ATOM 2052 O GLU A 130 -7.573 -0.961 -10.670 1.00 0.32 O ATOM 2053 CB GLU A 130 -8.466 1.619 -9.013 1.00 0.36 C ATOM 2054 CG GLU A 130 -8.108 2.093 -10.413 1.00 0.93 C ATOM 2055 CD GLU A 130 -9.247 1.910 -11.397 1.00 1.41 C ATOM 2056 OE1 GLU A 130 -10.326 2.496 -11.170 1.00 1.52 O ATOM 2057 OE2 GLU A 130 -9.060 1.180 -12.393 1.00 2.43 O ATOM 0 H GLU A 130 -8.516 0.113 -6.865 1.00 0.29 H new ATOM 0 HA GLU A 130 -9.693 -0.066 -9.563 1.00 0.31 H new ATOM 0 HB2 GLU A 130 -9.309 2.204 -8.646 1.00 0.36 H new ATOM 0 HB3 GLU A 130 -7.626 1.816 -8.347 1.00 0.36 H new ATOM 0 HG2 GLU A 130 -7.829 3.146 -10.376 1.00 0.93 H new ATOM 0 HG3 GLU A 130 -7.235 1.545 -10.767 1.00 0.93 H new ATOM 2064 N ILE A 131 -6.763 -1.114 -8.575 1.00 0.26 N ATOM 2065 CA ILE A 131 -5.607 -1.901 -8.990 1.00 0.27 C ATOM 2066 C ILE A 131 -6.015 -3.328 -9.313 1.00 0.27 C ATOM 2067 O ILE A 131 -5.415 -3.983 -10.165 1.00 0.30 O ATOM 2068 CB ILE A 131 -4.514 -1.902 -7.903 1.00 0.27 C ATOM 2069 CG1 ILE A 131 -4.766 -2.970 -6.824 1.00 0.29 C ATOM 2070 CG2 ILE A 131 -4.436 -0.524 -7.264 1.00 0.32 C ATOM 2071 CD1 ILE A 131 -3.616 -3.114 -5.853 1.00 0.59 C ATOM 0 H ILE A 131 -6.811 -0.917 -7.575 1.00 0.26 H new ATOM 0 HA ILE A 131 -5.200 -1.438 -9.889 1.00 0.27 H new ATOM 0 HB ILE A 131 -3.567 -2.147 -8.383 1.00 0.27 H new ATOM 0 HG12 ILE A 131 -5.670 -2.714 -6.272 1.00 0.29 H new ATOM 0 HG13 ILE A 131 -4.949 -3.930 -7.307 1.00 0.29 H new ATOM 0 HG21 ILE A 131 -3.664 -0.523 -6.495 1.00 0.32 H new ATOM 0 HG22 ILE A 131 -4.191 0.217 -8.025 1.00 0.32 H new ATOM 0 HG23 ILE A 131 -5.397 -0.277 -6.813 1.00 0.32 H new ATOM 0 HD11 ILE A 131 -3.855 -3.882 -5.117 1.00 0.59 H new ATOM 0 HD12 ILE A 131 -2.715 -3.399 -6.396 1.00 0.59 H new ATOM 0 HD13 ILE A 131 -3.448 -2.165 -5.345 1.00 0.59 H new ATOM 2083 N ALA A 132 -7.070 -3.776 -8.645 1.00 0.24 N ATOM 2084 CA ALA A 132 -7.627 -5.112 -8.850 1.00 0.25 C ATOM 2085 C ALA A 132 -8.603 -5.473 -7.734 1.00 0.23 C ATOM 2086 O ALA A 132 -8.221 -6.056 -6.724 1.00 0.28 O ATOM 2087 CB ALA A 132 -6.532 -6.164 -8.951 1.00 0.30 C ATOM 0 H ALA A 132 -7.566 -3.225 -7.945 1.00 0.24 H new ATOM 0 HA ALA A 132 -8.168 -5.096 -9.796 1.00 0.25 H new ATOM 0 HB1 ALA A 132 -6.983 -7.145 -9.103 1.00 0.30 H new ATOM 0 HB2 ALA A 132 -5.879 -5.930 -9.792 1.00 0.30 H new ATOM 0 HB3 ALA A 132 -5.949 -6.172 -8.030 1.00 0.30 H new ATOM 2093 N PRO A 133 -9.883 -5.123 -7.896 1.00 0.25 N ATOM 2094 CA PRO A 133 -10.906 -5.398 -6.901 1.00 0.31 C ATOM 2095 C PRO A 133 -11.644 -6.706 -7.161 1.00 0.35 C ATOM 2096 O PRO A 133 -12.720 -6.947 -6.610 1.00 0.45 O ATOM 2097 CB PRO A 133 -11.814 -4.203 -7.091 1.00 0.37 C ATOM 2098 CG PRO A 133 -11.830 -4.014 -8.571 1.00 0.37 C ATOM 2099 CD PRO A 133 -10.452 -4.406 -9.054 1.00 0.29 C ATOM 0 HA PRO A 133 -10.514 -5.523 -5.891 1.00 0.31 H new ATOM 0 HB2 PRO A 133 -12.813 -4.391 -6.699 1.00 0.37 H new ATOM 0 HB3 PRO A 133 -11.431 -3.321 -6.577 1.00 0.37 H new ATOM 0 HG2 PRO A 133 -12.597 -4.633 -9.035 1.00 0.37 H new ATOM 0 HG3 PRO A 133 -12.055 -2.979 -8.830 1.00 0.37 H new ATOM 0 HD2 PRO A 133 -10.500 -5.042 -9.938 1.00 0.29 H new ATOM 0 HD3 PRO A 133 -9.855 -3.534 -9.321 1.00 0.29 H new ATOM 2107 N GLU A 134 -11.045 -7.555 -7.988 1.00 0.32 N ATOM 2108 CA GLU A 134 -11.624 -8.856 -8.312 1.00 0.37 C ATOM 2109 C GLU A 134 -10.883 -9.917 -7.525 1.00 0.37 C ATOM 2110 O GLU A 134 -11.171 -11.111 -7.606 1.00 0.52 O ATOM 2111 CB GLU A 134 -11.523 -9.135 -9.813 1.00 0.44 C ATOM 2112 CG GLU A 134 -10.096 -9.144 -10.335 1.00 0.46 C ATOM 2113 CD GLU A 134 -10.017 -9.418 -11.825 1.00 0.54 C ATOM 2114 OE1 GLU A 134 -11.082 -9.597 -12.454 1.00 1.14 O ATOM 2115 OE2 GLU A 134 -8.892 -9.454 -12.366 1.00 0.87 O ATOM 0 H GLU A 134 -10.155 -7.366 -8.449 1.00 0.32 H new ATOM 0 HA GLU A 134 -12.681 -8.865 -8.046 1.00 0.37 H new ATOM 0 HB2 GLU A 134 -11.985 -10.099 -10.027 1.00 0.44 H new ATOM 0 HB3 GLU A 134 -12.094 -8.380 -10.354 1.00 0.44 H new ATOM 0 HG2 GLU A 134 -9.630 -8.182 -10.122 1.00 0.46 H new ATOM 0 HG3 GLU A 134 -9.523 -9.901 -9.800 1.00 0.46 H new ATOM 2122 N LEU A 135 -9.919 -9.432 -6.760 1.00 0.30 N ATOM 2123 CA LEU A 135 -9.078 -10.255 -5.921 1.00 0.35 C ATOM 2124 C LEU A 135 -9.913 -11.049 -4.927 1.00 0.34 C ATOM 2125 O LEU A 135 -10.906 -10.551 -4.406 1.00 0.39 O ATOM 2126 CB LEU A 135 -8.107 -9.330 -5.189 1.00 0.41 C ATOM 2127 CG LEU A 135 -6.981 -9.992 -4.401 1.00 0.69 C ATOM 2128 CD1 LEU A 135 -7.490 -10.563 -3.085 1.00 1.27 C ATOM 2129 CD2 LEU A 135 -6.299 -11.075 -5.226 1.00 1.41 C ATOM 0 H LEU A 135 -9.699 -8.437 -6.707 1.00 0.30 H new ATOM 0 HA LEU A 135 -8.532 -10.976 -6.530 1.00 0.35 H new ATOM 0 HB2 LEU A 135 -7.659 -8.660 -5.923 1.00 0.41 H new ATOM 0 HB3 LEU A 135 -8.683 -8.710 -4.502 1.00 0.41 H new ATOM 0 HG LEU A 135 -6.244 -9.222 -4.172 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -6.664 -11.028 -2.547 1.00 1.27 H new ATOM 0 HD12 LEU A 135 -7.912 -9.761 -2.479 1.00 1.27 H new ATOM 0 HD13 LEU A 135 -8.259 -11.309 -3.285 1.00 1.27 H new ATOM 0 HD21 LEU A 135 -5.501 -11.530 -4.640 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -7.028 -11.838 -5.499 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -5.879 -10.634 -6.130 1.00 1.41 H new ATOM 2141 N VAL A 136 -9.500 -12.282 -4.664 1.00 0.36 N ATOM 2142 CA VAL A 136 -10.210 -13.136 -3.723 1.00 0.38 C ATOM 2143 C VAL A 136 -9.238 -13.844 -2.788 1.00 0.42 C ATOM 2144 O VAL A 136 -8.133 -14.212 -3.193 1.00 0.53 O ATOM 2145 CB VAL A 136 -11.086 -14.176 -4.449 1.00 0.41 C ATOM 2146 CG1 VAL A 136 -10.259 -14.968 -5.451 1.00 0.46 C ATOM 2147 CG2 VAL A 136 -11.758 -15.108 -3.452 1.00 0.44 C ATOM 0 H VAL A 136 -8.678 -12.712 -5.089 1.00 0.36 H new ATOM 0 HA VAL A 136 -10.862 -12.490 -3.135 1.00 0.38 H new ATOM 0 HB VAL A 136 -11.865 -13.643 -4.993 1.00 0.41 H new ATOM 0 HG11 VAL A 136 -10.896 -15.697 -5.953 1.00 0.46 H new ATOM 0 HG12 VAL A 136 -9.833 -14.288 -6.189 1.00 0.46 H new ATOM 0 HG13 VAL A 136 -9.455 -15.487 -4.930 1.00 0.46 H new ATOM 0 HG21 VAL A 136 -12.371 -15.833 -3.988 1.00 0.44 H new ATOM 0 HG22 VAL A 136 -10.997 -15.632 -2.874 1.00 0.44 H new ATOM 0 HG23 VAL A 136 -12.388 -14.527 -2.779 1.00 0.44 H new ATOM 2157 N PHE A 137 -9.652 -14.035 -1.540 1.00 0.46 N ATOM 2158 CA PHE A 137 -8.812 -14.699 -0.555 1.00 0.53 C ATOM 2159 C PHE A 137 -8.961 -16.211 -0.672 1.00 0.57 C ATOM 2160 O PHE A 137 -9.935 -16.697 -1.247 1.00 0.60 O ATOM 2161 CB PHE A 137 -9.192 -14.248 0.862 1.00 0.59 C ATOM 2162 CG PHE A 137 -8.908 -12.797 1.149 1.00 0.58 C ATOM 2163 CD1 PHE A 137 -9.393 -11.798 0.318 1.00 0.55 C ATOM 2164 CD2 PHE A 137 -8.153 -12.434 2.254 1.00 0.66 C ATOM 2165 CE1 PHE A 137 -9.131 -10.467 0.586 1.00 0.59 C ATOM 2166 CE2 PHE A 137 -7.887 -11.105 2.527 1.00 0.68 C ATOM 2167 CZ PHE A 137 -8.379 -10.121 1.692 1.00 0.64 C ATOM 0 H PHE A 137 -10.563 -13.739 -1.189 1.00 0.46 H new ATOM 0 HA PHE A 137 -7.774 -14.427 -0.746 1.00 0.53 H new ATOM 0 HB2 PHE A 137 -10.254 -14.436 1.017 1.00 0.59 H new ATOM 0 HB3 PHE A 137 -8.651 -14.861 1.583 1.00 0.59 H new ATOM 0 HD1 PHE A 137 -9.982 -12.063 -0.548 1.00 0.55 H new ATOM 0 HD2 PHE A 137 -7.767 -13.200 2.910 1.00 0.66 H new ATOM 0 HE1 PHE A 137 -9.514 -9.698 -0.069 1.00 0.59 H new ATOM 0 HE2 PHE A 137 -7.296 -10.837 3.391 1.00 0.68 H new ATOM 0 HZ PHE A 137 -8.176 -9.082 1.904 1.00 0.64 H new ATOM 2177 N PRO A 138 -8.003 -16.983 -0.122 1.00 0.60 N ATOM 2178 CA PRO A 138 -8.057 -18.448 -0.165 1.00 0.66 C ATOM 2179 C PRO A 138 -9.427 -18.968 0.265 1.00 0.73 C ATOM 2180 O PRO A 138 -9.796 -20.106 -0.025 1.00 0.78 O ATOM 2181 CB PRO A 138 -6.979 -18.864 0.836 1.00 0.70 C ATOM 2182 CG PRO A 138 -5.999 -17.745 0.816 1.00 0.75 C ATOM 2183 CD PRO A 138 -6.804 -16.497 0.592 1.00 0.62 C ATOM 0 HA PRO A 138 -7.896 -18.848 -1.166 1.00 0.66 H new ATOM 0 HB2 PRO A 138 -7.397 -19.008 1.832 1.00 0.70 H new ATOM 0 HB3 PRO A 138 -6.512 -19.806 0.548 1.00 0.70 H new ATOM 0 HG2 PRO A 138 -5.448 -17.691 1.755 1.00 0.75 H new ATOM 0 HG3 PRO A 138 -5.264 -17.883 0.023 1.00 0.75 H new ATOM 0 HD2 PRO A 138 -7.066 -16.014 1.533 1.00 0.62 H new ATOM 0 HD3 PRO A 138 -6.254 -15.765 0.000 1.00 0.62 H new ATOM 2191 N ASP A 139 -10.173 -18.105 0.948 1.00 0.77 N ATOM 2192 CA ASP A 139 -11.511 -18.430 1.419 1.00 0.87 C ATOM 2193 C ASP A 139 -12.554 -18.159 0.338 1.00 0.80 C ATOM 2194 O ASP A 139 -12.866 -19.033 -0.473 1.00 1.03 O ATOM 2195 CB ASP A 139 -11.830 -17.605 2.667 1.00 0.92 C ATOM 2196 CG ASP A 139 -11.135 -18.130 3.906 1.00 1.33 C ATOM 2197 OD1 ASP A 139 -9.887 -18.176 3.914 1.00 1.91 O ATOM 2198 OD2 ASP A 139 -11.840 -18.493 4.873 1.00 1.72 O ATOM 0 H ASP A 139 -9.866 -17.163 1.189 1.00 0.77 H new ATOM 0 HA ASP A 139 -11.542 -19.492 1.663 1.00 0.87 H new ATOM 0 HB2 ASP A 139 -11.533 -16.570 2.499 1.00 0.92 H new ATOM 0 HB3 ASP A 139 -12.907 -17.605 2.832 1.00 0.92 H new ATOM 2203 N GLY A 140 -13.087 -16.939 0.334 1.00 0.59 N ATOM 2204 CA GLY A 140 -14.089 -16.560 -0.645 1.00 0.59 C ATOM 2205 C GLY A 140 -14.410 -15.079 -0.587 1.00 0.61 C ATOM 2206 O GLY A 140 -15.454 -14.639 -1.069 1.00 0.95 O ATOM 0 H GLY A 140 -12.840 -16.203 0.996 1.00 0.59 H new ATOM 0 HA2 GLY A 140 -13.734 -16.815 -1.644 1.00 0.59 H new ATOM 0 HA3 GLY A 140 -14.999 -17.135 -0.473 1.00 0.59 H new ATOM 2210 N GLU A 141 -13.504 -14.311 0.011 1.00 0.51 N ATOM 2211 CA GLU A 141 -13.672 -12.873 0.146 1.00 0.62 C ATOM 2212 C GLU A 141 -13.033 -12.150 -1.034 1.00 0.53 C ATOM 2213 O GLU A 141 -12.137 -12.687 -1.675 1.00 0.59 O ATOM 2214 CB GLU A 141 -13.031 -12.410 1.450 1.00 0.86 C ATOM 2215 CG GLU A 141 -13.172 -10.925 1.713 1.00 1.38 C ATOM 2216 CD GLU A 141 -12.519 -10.501 3.015 1.00 2.15 C ATOM 2217 OE1 GLU A 141 -11.293 -10.686 3.151 1.00 2.76 O ATOM 2218 OE2 GLU A 141 -13.237 -9.982 3.895 1.00 2.53 O ATOM 0 H GLU A 141 -12.637 -14.669 0.413 1.00 0.51 H new ATOM 0 HA GLU A 141 -14.736 -12.638 0.159 1.00 0.62 H new ATOM 0 HB2 GLU A 141 -13.479 -12.959 2.278 1.00 0.86 H new ATOM 0 HB3 GLU A 141 -11.972 -12.667 1.433 1.00 0.86 H new ATOM 0 HG2 GLU A 141 -12.725 -10.369 0.888 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -14.230 -10.663 1.738 1.00 1.38 H new ATOM 2225 N MET A 142 -13.489 -10.934 -1.315 1.00 0.48 N ATOM 2226 CA MET A 142 -12.944 -10.155 -2.423 1.00 0.41 C ATOM 2227 C MET A 142 -12.858 -8.675 -2.067 1.00 0.37 C ATOM 2228 O MET A 142 -13.551 -8.211 -1.167 1.00 0.39 O ATOM 2229 CB MET A 142 -13.807 -10.336 -3.671 1.00 0.42 C ATOM 2230 CG MET A 142 -13.889 -11.774 -4.158 1.00 0.49 C ATOM 2231 SD MET A 142 -14.905 -11.945 -5.640 1.00 0.55 S ATOM 2232 CE MET A 142 -16.475 -11.316 -5.051 1.00 1.68 C ATOM 0 H MET A 142 -14.231 -10.467 -0.794 1.00 0.48 H new ATOM 0 HA MET A 142 -11.936 -10.519 -2.624 1.00 0.41 H new ATOM 0 HB2 MET A 142 -14.814 -9.976 -3.460 1.00 0.42 H new ATOM 0 HB3 MET A 142 -13.407 -9.714 -4.471 1.00 0.42 H new ATOM 0 HG2 MET A 142 -12.884 -12.142 -4.366 1.00 0.49 H new ATOM 0 HG3 MET A 142 -14.300 -12.400 -3.366 1.00 0.49 H new ATOM 0 HE1 MET A 142 -17.279 -11.700 -5.679 1.00 1.68 H new ATOM 0 HE2 MET A 142 -16.633 -11.638 -4.022 1.00 1.68 H new ATOM 0 HE3 MET A 142 -16.470 -10.227 -5.094 1.00 1.68 H new ATOM 2242 N LEU A 143 -12.012 -7.936 -2.785 1.00 0.38 N ATOM 2243 CA LEU A 143 -11.852 -6.513 -2.546 1.00 0.39 C ATOM 2244 C LEU A 143 -13.162 -5.789 -2.828 1.00 0.41 C ATOM 2245 O LEU A 143 -13.400 -4.689 -2.333 1.00 0.50 O ATOM 2246 CB LEU A 143 -10.736 -5.970 -3.435 1.00 0.44 C ATOM 2247 CG LEU A 143 -10.416 -4.487 -3.267 1.00 0.51 C ATOM 2248 CD1 LEU A 143 -10.029 -4.175 -1.829 1.00 1.38 C ATOM 2249 CD2 LEU A 143 -9.301 -4.099 -4.216 1.00 1.56 C ATOM 0 H LEU A 143 -11.429 -8.305 -3.536 1.00 0.38 H new ATOM 0 HA LEU A 143 -11.584 -6.346 -1.503 1.00 0.39 H new ATOM 0 HB2 LEU A 143 -9.830 -6.543 -3.239 1.00 0.44 H new ATOM 0 HB3 LEU A 143 -11.007 -6.148 -4.476 1.00 0.44 H new ATOM 0 HG LEU A 143 -11.306 -3.905 -3.505 1.00 0.51 H new ATOM 0 HD11 LEU A 143 -9.806 -3.112 -1.735 1.00 1.38 H new ATOM 0 HD12 LEU A 143 -10.855 -4.432 -1.166 1.00 1.38 H new ATOM 0 HD13 LEU A 143 -9.149 -4.756 -1.555 1.00 1.38 H new ATOM 0 HD21 LEU A 143 -9.073 -3.040 -4.096 1.00 1.56 H new ATOM 0 HD22 LEU A 143 -8.412 -4.689 -3.994 1.00 1.56 H new ATOM 0 HD23 LEU A 143 -9.615 -4.288 -5.243 1.00 1.56 H new ATOM 2261 N ARG A 144 -14.012 -6.435 -3.620 1.00 0.39 N ATOM 2262 CA ARG A 144 -15.311 -5.882 -3.969 1.00 0.47 C ATOM 2263 C ARG A 144 -16.304 -6.177 -2.852 1.00 0.49 C ATOM 2264 O ARG A 144 -17.021 -5.289 -2.391 1.00 0.56 O ATOM 2265 CB ARG A 144 -15.792 -6.476 -5.300 1.00 0.54 C ATOM 2266 CG ARG A 144 -17.004 -5.775 -5.905 1.00 0.77 C ATOM 2267 CD ARG A 144 -18.273 -6.022 -5.104 1.00 0.88 C ATOM 2268 NE ARG A 144 -19.445 -5.410 -5.724 1.00 1.47 N ATOM 2269 CZ ARG A 144 -19.596 -4.098 -5.889 1.00 2.12 C ATOM 2270 NH1 ARG A 144 -18.659 -3.258 -5.468 1.00 2.68 N ATOM 2271 NH2 ARG A 144 -20.690 -3.626 -6.471 1.00 2.83 N ATOM 0 H ARG A 144 -13.820 -7.348 -4.033 1.00 0.39 H new ATOM 0 HA ARG A 144 -15.230 -4.802 -4.088 1.00 0.47 H new ATOM 0 HB2 ARG A 144 -14.972 -6.439 -6.017 1.00 0.54 H new ATOM 0 HB3 ARG A 144 -16.035 -7.527 -5.147 1.00 0.54 H new ATOM 0 HG2 ARG A 144 -16.813 -4.703 -5.957 1.00 0.77 H new ATOM 0 HG3 ARG A 144 -17.149 -6.123 -6.928 1.00 0.77 H new ATOM 0 HD2 ARG A 144 -18.435 -7.095 -5.005 1.00 0.88 H new ATOM 0 HD3 ARG A 144 -18.148 -5.625 -4.097 1.00 0.88 H new ATOM 0 HE ARG A 144 -20.192 -6.024 -6.050 1.00 1.47 H new ATOM 0 HH11 ARG A 144 -17.818 -3.617 -5.016 1.00 2.68 H new ATOM 0 HH12 ARG A 144 -18.779 -2.253 -5.597 1.00 2.68 H new ATOM 0 HH21 ARG A 144 -21.415 -4.268 -6.792 1.00 2.83 H new ATOM 0 HH22 ARG A 144 -20.807 -2.621 -6.598 1.00 2.83 H new ATOM 2285 N GLN A 145 -16.333 -7.434 -2.416 1.00 0.47 N ATOM 2286 CA GLN A 145 -17.229 -7.853 -1.347 1.00 0.52 C ATOM 2287 C GLN A 145 -16.913 -7.103 -0.057 1.00 0.48 C ATOM 2288 O GLN A 145 -17.812 -6.784 0.724 1.00 0.56 O ATOM 2289 CB GLN A 145 -17.124 -9.370 -1.138 1.00 0.57 C ATOM 2290 CG GLN A 145 -17.907 -9.892 0.062 1.00 0.64 C ATOM 2291 CD GLN A 145 -17.151 -9.760 1.374 1.00 0.60 C ATOM 2292 OE1 GLN A 145 -15.887 -9.353 1.303 1.00 0.67 O flip ATOM 2293 NE2 GLN A 145 -17.696 -10.036 2.443 1.00 0.52 N flip ATOM 0 H GLN A 145 -15.745 -8.179 -2.789 1.00 0.47 H new ATOM 0 HA GLN A 145 -18.253 -7.613 -1.632 1.00 0.52 H new ATOM 0 HB2 GLN A 145 -17.479 -9.875 -2.037 1.00 0.57 H new ATOM 0 HB3 GLN A 145 -16.074 -9.637 -1.016 1.00 0.57 H new ATOM 0 HG2 GLN A 145 -18.849 -9.349 0.137 1.00 0.64 H new ATOM 0 HG3 GLN A 145 -18.156 -10.940 -0.103 1.00 0.64 H new ATOM 0 HE21 GLN A 145 -18.668 -10.345 2.455 1.00 0.52 H new ATOM 0 HE22 GLN A 145 -17.175 -9.956 3.316 1.00 0.52 H new ATOM 2302 N ILE A 146 -15.632 -6.812 0.159 1.00 0.40 N ATOM 2303 CA ILE A 146 -15.205 -6.086 1.350 1.00 0.40 C ATOM 2304 C ILE A 146 -15.732 -4.657 1.318 1.00 0.43 C ATOM 2305 O ILE A 146 -16.209 -4.141 2.329 1.00 0.53 O ATOM 2306 CB ILE A 146 -13.669 -6.060 1.484 1.00 0.42 C ATOM 2307 CG1 ILE A 146 -13.125 -7.479 1.659 1.00 0.43 C ATOM 2308 CG2 ILE A 146 -13.253 -5.183 2.658 1.00 0.50 C ATOM 2309 CD1 ILE A 146 -11.613 -7.554 1.673 1.00 0.78 C ATOM 0 H ILE A 146 -14.874 -7.068 -0.474 1.00 0.40 H new ATOM 0 HA ILE A 146 -15.616 -6.611 2.212 1.00 0.40 H new ATOM 0 HB ILE A 146 -13.249 -5.638 0.571 1.00 0.42 H new ATOM 0 HG12 ILE A 146 -13.509 -7.893 2.591 1.00 0.43 H new ATOM 0 HG13 ILE A 146 -13.504 -8.106 0.852 1.00 0.43 H new ATOM 0 HG21 ILE A 146 -12.166 -5.175 2.739 1.00 0.50 H new ATOM 0 HG22 ILE A 146 -13.612 -4.166 2.498 1.00 0.50 H new ATOM 0 HG23 ILE A 146 -13.683 -5.579 3.578 1.00 0.50 H new ATOM 0 HD11 ILE A 146 -11.301 -8.591 1.801 1.00 0.78 H new ATOM 0 HD12 ILE A 146 -11.221 -7.171 0.731 1.00 0.78 H new ATOM 0 HD13 ILE A 146 -11.227 -6.955 2.498 1.00 0.78 H new ATOM 2321 N LEU A 147 -15.652 -4.024 0.151 1.00 0.42 N ATOM 2322 CA LEU A 147 -16.134 -2.658 -0.005 1.00 0.50 C ATOM 2323 C LEU A 147 -17.657 -2.617 0.061 1.00 0.59 C ATOM 2324 O LEU A 147 -18.252 -1.555 0.232 1.00 0.72 O ATOM 2325 CB LEU A 147 -15.657 -2.062 -1.332 1.00 0.55 C ATOM 2326 CG LEU A 147 -14.199 -1.603 -1.349 1.00 0.61 C ATOM 2327 CD1 LEU A 147 -13.807 -1.134 -2.740 1.00 0.76 C ATOM 2328 CD2 LEU A 147 -13.980 -0.490 -0.336 1.00 0.62 C ATOM 0 H LEU A 147 -15.259 -4.434 -0.696 1.00 0.42 H new ATOM 0 HA LEU A 147 -15.727 -2.063 0.813 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -15.797 -2.805 -2.117 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -16.292 -1.212 -1.580 1.00 0.55 H new ATOM 0 HG LEU A 147 -13.568 -2.449 -1.077 1.00 0.61 H new ATOM 0 HD11 LEU A 147 -12.766 -0.811 -2.735 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -13.929 -1.954 -3.448 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -14.444 -0.301 -3.036 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -12.937 -0.175 -0.361 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -14.621 0.357 -0.582 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -14.225 -0.853 0.662 1.00 0.62 H new ATOM 2340 N HIS A 148 -18.281 -3.784 -0.075 1.00 0.59 N ATOM 2341 CA HIS A 148 -19.735 -3.881 -0.027 1.00 0.73 C ATOM 2342 C HIS A 148 -20.222 -3.813 1.415 1.00 0.79 C ATOM 2343 O HIS A 148 -21.282 -3.258 1.699 1.00 0.90 O ATOM 2344 CB HIS A 148 -20.205 -5.183 -0.683 1.00 0.77 C ATOM 2345 CG HIS A 148 -21.695 -5.325 -0.744 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -22.496 -5.373 0.378 1.00 1.36 N ATOM 2347 CD2 HIS A 148 -22.532 -5.428 -1.805 1.00 1.58 C ATOM 2348 CE1 HIS A 148 -23.760 -5.499 0.011 1.00 1.28 C ATOM 2349 NE2 HIS A 148 -23.808 -5.535 -1.307 1.00 1.34 N ATOM 0 H HIS A 148 -17.803 -4.673 -0.219 1.00 0.59 H new ATOM 0 HA HIS A 148 -20.157 -3.041 -0.579 1.00 0.73 H new ATOM 0 HB2 HIS A 148 -19.803 -5.235 -1.695 1.00 0.77 H new ATOM 0 HB3 HIS A 148 -19.791 -6.027 -0.131 1.00 0.77 H new ATOM 0 HD2 HIS A 148 -22.249 -5.426 -2.847 1.00 1.58 H new ATOM 0 HE1 HIS A 148 -24.608 -5.562 0.676 1.00 1.28 H new ATOM 0 HE2 HIS A 148 -24.656 -5.627 -1.866 1.00 1.34 H new ATOM 2358 N THR A 149 -19.430 -4.379 2.320 1.00 0.77 N ATOM 2359 CA THR A 149 -19.766 -4.382 3.738 1.00 0.88 C ATOM 2360 C THR A 149 -19.195 -3.144 4.424 1.00 0.86 C ATOM 2361 O THR A 149 -19.730 -2.673 5.426 1.00 0.94 O ATOM 2362 CB THR A 149 -19.228 -5.650 4.405 1.00 0.90 C ATOM 2363 OG1 THR A 149 -19.753 -6.807 3.779 1.00 1.10 O ATOM 2364 CG2 THR A 149 -19.557 -5.737 5.881 1.00 1.18 C ATOM 0 H THR A 149 -18.549 -4.842 2.095 1.00 0.77 H new ATOM 0 HA THR A 149 -20.851 -4.365 3.838 1.00 0.88 H new ATOM 0 HB THR A 149 -18.145 -5.597 4.294 1.00 0.90 H new ATOM 0 HG1 THR A 149 -19.396 -7.607 4.218 1.00 1.10 H new ATOM 0 HG21 THR A 149 -19.146 -6.660 6.292 1.00 1.18 H new ATOM 0 HG22 THR A 149 -19.123 -4.883 6.401 1.00 1.18 H new ATOM 0 HG23 THR A 149 -20.639 -5.731 6.014 1.00 1.18 H new ATOM 2372 N ARG A 150 -18.106 -2.621 3.867 1.00 0.86 N ATOM 2373 CA ARG A 150 -17.460 -1.432 4.415 1.00 0.93 C ATOM 2374 C ARG A 150 -17.985 -0.172 3.733 1.00 0.95 C ATOM 2375 O ARG A 150 -18.550 0.707 4.384 1.00 1.05 O ATOM 2376 CB ARG A 150 -15.940 -1.518 4.240 1.00 0.99 C ATOM 2377 CG ARG A 150 -15.301 -2.712 4.931 1.00 0.96 C ATOM 2378 CD ARG A 150 -15.497 -2.660 6.438 1.00 1.26 C ATOM 2379 NE ARG A 150 -14.852 -1.501 7.045 1.00 2.01 N ATOM 2380 CZ ARG A 150 -14.914 -1.223 8.344 1.00 2.55 C ATOM 2381 NH1 ARG A 150 -15.598 -2.012 9.163 1.00 2.55 N ATOM 2382 NH2 ARG A 150 -14.293 -0.156 8.829 1.00 3.55 N ATOM 0 H ARG A 150 -17.652 -3.002 3.037 1.00 0.86 H new ATOM 0 HA ARG A 150 -17.693 -1.381 5.479 1.00 0.93 H new ATOM 0 HB2 ARG A 150 -15.710 -1.562 3.176 1.00 0.99 H new ATOM 0 HB3 ARG A 150 -15.489 -0.604 4.626 1.00 0.99 H new ATOM 0 HG2 ARG A 150 -15.733 -3.633 4.539 1.00 0.96 H new ATOM 0 HG3 ARG A 150 -14.235 -2.737 4.703 1.00 0.96 H new ATOM 0 HD2 ARG A 150 -16.563 -2.637 6.662 1.00 1.26 H new ATOM 0 HD3 ARG A 150 -15.097 -3.570 6.885 1.00 1.26 H new ATOM 0 HE ARG A 150 -14.325 -0.870 6.441 1.00 2.01 H new ATOM 0 HH11 ARG A 150 -16.078 -2.834 8.797 1.00 2.55 H new ATOM 0 HH12 ARG A 150 -15.644 -1.796 10.159 1.00 2.55 H new ATOM 0 HH21 ARG A 150 -13.766 0.455 8.205 1.00 3.55 H new ATOM 0 HH22 ARG A 150 -14.343 0.054 9.826 1.00 3.55 H new ATOM 2396 N ALA A 151 -17.786 -0.097 2.419 1.00 0.94 N ATOM 2397 CA ALA A 151 -18.227 1.052 1.634 1.00 1.04 C ATOM 2398 C ALA A 151 -17.483 2.315 2.048 1.00 1.11 C ATOM 2399 O ALA A 151 -18.086 3.273 2.536 1.00 1.59 O ATOM 2400 CB ALA A 151 -19.731 1.245 1.766 1.00 1.61 C ATOM 0 H ALA A 151 -17.320 -0.822 1.874 1.00 0.94 H new ATOM 0 HA ALA A 151 -17.996 0.855 0.587 1.00 1.04 H new ATOM 0 HB1 ALA A 151 -20.041 2.106 1.174 1.00 1.61 H new ATOM 0 HB2 ALA A 151 -20.245 0.354 1.407 1.00 1.61 H new ATOM 0 HB3 ALA A 151 -19.986 1.414 2.812 1.00 1.61 H new ATOM 2406 N PHE A 152 -16.167 2.311 1.852 1.00 1.09 N ATOM 2407 CA PHE A 152 -15.340 3.451 2.201 1.00 1.61 C ATOM 2408 C PHE A 152 -14.790 4.126 0.950 1.00 1.38 C ATOM 2409 O PHE A 152 -13.577 4.235 0.770 1.00 1.90 O ATOM 2410 CB PHE A 152 -14.193 3.022 3.124 1.00 2.51 C ATOM 2411 CG PHE A 152 -14.625 2.695 4.531 1.00 3.40 C ATOM 2412 CD1 PHE A 152 -15.735 1.902 4.771 1.00 3.42 C ATOM 2413 CD2 PHE A 152 -13.917 3.189 5.615 1.00 4.44 C ATOM 2414 CE1 PHE A 152 -16.130 1.606 6.062 1.00 4.40 C ATOM 2415 CE2 PHE A 152 -14.307 2.897 6.908 1.00 5.41 C ATOM 2416 CZ PHE A 152 -15.415 2.105 7.131 1.00 5.37 C ATOM 0 H PHE A 152 -15.654 1.526 1.452 1.00 1.09 H new ATOM 0 HA PHE A 152 -15.963 4.171 2.732 1.00 1.61 H new ATOM 0 HB2 PHE A 152 -13.702 2.149 2.694 1.00 2.51 H new ATOM 0 HB3 PHE A 152 -13.451 3.820 3.159 1.00 2.51 H new ATOM 0 HD1 PHE A 152 -16.299 1.510 3.938 1.00 3.42 H new ATOM 0 HD2 PHE A 152 -13.050 3.810 5.447 1.00 4.44 H new ATOM 0 HE1 PHE A 152 -16.997 0.985 6.234 1.00 4.40 H new ATOM 0 HE2 PHE A 152 -13.745 3.288 7.743 1.00 5.41 H new ATOM 0 HZ PHE A 152 -15.722 1.876 8.141 1.00 5.37 H new ATOM 2426 N ASP A 153 -15.700 4.602 0.101 1.00 1.04 N ATOM 2427 CA ASP A 153 -15.330 5.301 -1.127 1.00 1.18 C ATOM 2428 C ASP A 153 -14.750 6.670 -0.798 1.00 1.01 C ATOM 2429 O ASP A 153 -14.727 7.574 -1.635 1.00 1.40 O ATOM 2430 CB ASP A 153 -16.548 5.467 -2.033 1.00 1.46 C ATOM 2431 CG ASP A 153 -17.728 6.097 -1.318 1.00 2.05 C ATOM 2432 OD1 ASP A 153 -18.226 5.494 -0.344 1.00 2.54 O ATOM 2433 OD2 ASP A 153 -18.153 7.195 -1.731 1.00 2.52 O ATOM 0 H ASP A 153 -16.706 4.515 0.244 1.00 1.04 H new ATOM 0 HA ASP A 153 -14.578 4.707 -1.647 1.00 1.18 H new ATOM 0 HB2 ASP A 153 -16.277 6.083 -2.890 1.00 1.46 H new ATOM 0 HB3 ASP A 153 -16.842 4.492 -2.422 1.00 1.46 H new ATOM 2438 N LYS A 154 -14.305 6.800 0.438 1.00 0.68 N ATOM 2439 CA LYS A 154 -13.726 8.021 0.964 1.00 0.59 C ATOM 2440 C LYS A 154 -12.490 8.453 0.178 1.00 0.52 C ATOM 2441 O LYS A 154 -12.452 8.366 -1.048 1.00 0.67 O ATOM 2442 CB LYS A 154 -13.359 7.756 2.420 1.00 0.63 C ATOM 2443 CG LYS A 154 -14.496 7.133 3.212 1.00 0.79 C ATOM 2444 CD LYS A 154 -14.228 7.177 4.711 1.00 0.93 C ATOM 2445 CE LYS A 154 -13.000 6.358 5.089 1.00 0.94 C ATOM 2446 NZ LYS A 154 -12.709 6.440 6.546 1.00 1.77 N ATOM 0 H LYS A 154 -14.337 6.042 1.119 1.00 0.68 H new ATOM 0 HA LYS A 154 -14.447 8.834 0.878 1.00 0.59 H new ATOM 0 HB2 LYS A 154 -12.493 7.095 2.457 1.00 0.63 H new ATOM 0 HB3 LYS A 154 -13.065 8.694 2.892 1.00 0.63 H new ATOM 0 HG2 LYS A 154 -15.424 7.660 2.993 1.00 0.79 H new ATOM 0 HG3 LYS A 154 -14.635 6.099 2.897 1.00 0.79 H new ATOM 0 HD2 LYS A 154 -14.086 8.211 5.025 1.00 0.93 H new ATOM 0 HD3 LYS A 154 -15.098 6.797 5.247 1.00 0.93 H new ATOM 0 HE2 LYS A 154 -13.157 5.317 4.808 1.00 0.94 H new ATOM 0 HE3 LYS A 154 -12.138 6.714 4.525 1.00 0.94 H new ATOM 0 HZ1 LYS A 154 -11.867 5.870 6.764 1.00 1.77 H new ATOM 0 HZ2 LYS A 154 -12.535 7.431 6.810 1.00 1.77 H new ATOM 0 HZ3 LYS A 154 -13.522 6.077 7.083 1.00 1.77 H new ATOM 2460 N LEU A 155 -11.467 8.906 0.902 1.00 0.55 N ATOM 2461 CA LEU A 155 -10.215 9.337 0.295 1.00 0.57 C ATOM 2462 C LEU A 155 -10.453 10.372 -0.802 1.00 0.51 C ATOM 2463 O LEU A 155 -10.486 10.029 -1.985 1.00 0.61 O ATOM 2464 CB LEU A 155 -9.466 8.143 -0.311 1.00 0.67 C ATOM 2465 CG LEU A 155 -9.280 6.908 0.584 1.00 0.81 C ATOM 2466 CD1 LEU A 155 -10.599 6.184 0.802 1.00 1.81 C ATOM 2467 CD2 LEU A 155 -8.257 5.984 -0.050 1.00 1.95 C ATOM 0 H LEU A 155 -11.485 8.983 1.919 1.00 0.55 H new ATOM 0 HA LEU A 155 -9.616 9.787 1.087 1.00 0.57 H new ATOM 0 HB2 LEU A 155 -9.996 7.832 -1.211 1.00 0.67 H new ATOM 0 HB3 LEU A 155 -8.480 8.486 -0.624 1.00 0.67 H new ATOM 0 HG LEU A 155 -8.921 7.229 1.562 1.00 0.81 H new ATOM 0 HD11 LEU A 155 -10.436 5.315 1.439 1.00 1.81 H new ATOM 0 HD12 LEU A 155 -11.309 6.858 1.282 1.00 1.81 H new ATOM 0 HD13 LEU A 155 -10.999 5.860 -0.159 1.00 1.81 H new ATOM 0 HD21 LEU A 155 -8.120 5.105 0.580 1.00 1.95 H new ATOM 0 HD22 LEU A 155 -8.608 5.673 -1.034 1.00 1.95 H new ATOM 0 HD23 LEU A 155 -7.307 6.508 -0.152 1.00 1.95 H new ATOM 2479 N ASN A 156 -10.599 11.635 -0.418 1.00 0.54 N ATOM 2480 CA ASN A 156 -10.811 12.697 -1.398 1.00 0.54 C ATOM 2481 C ASN A 156 -9.540 12.912 -2.217 1.00 0.53 C ATOM 2482 O ASN A 156 -8.544 13.418 -1.702 1.00 0.75 O ATOM 2483 CB ASN A 156 -11.231 13.997 -0.705 1.00 0.63 C ATOM 2484 CG ASN A 156 -10.241 14.448 0.349 1.00 1.07 C ATOM 2485 OD1 ASN A 156 -10.000 13.747 1.331 1.00 2.09 O ATOM 2486 ND2 ASN A 156 -9.663 15.628 0.151 1.00 1.34 N ATOM 0 H ASN A 156 -10.575 11.948 0.553 1.00 0.54 H new ATOM 0 HA ASN A 156 -11.615 12.397 -2.070 1.00 0.54 H new ATOM 0 HB2 ASN A 156 -11.341 14.782 -1.453 1.00 0.63 H new ATOM 0 HB3 ASN A 156 -12.208 13.857 -0.243 1.00 0.63 H new ATOM 0 HD21 ASN A 156 -8.989 15.986 0.828 1.00 1.34 H new ATOM 0 HD22 ASN A 156 -9.893 16.176 -0.678 1.00 1.34 H new ATOM 2493 N LYS A 157 -9.580 12.499 -3.486 1.00 0.46 N ATOM 2494 CA LYS A 157 -8.431 12.616 -4.386 1.00 0.46 C ATOM 2495 C LYS A 157 -7.633 13.898 -4.173 1.00 0.48 C ATOM 2496 O LYS A 157 -8.193 14.990 -4.054 1.00 0.64 O ATOM 2497 CB LYS A 157 -8.884 12.526 -5.844 1.00 0.54 C ATOM 2498 CG LYS A 157 -8.811 11.118 -6.415 1.00 0.60 C ATOM 2499 CD LYS A 157 -7.373 10.653 -6.575 1.00 1.33 C ATOM 2500 CE LYS A 157 -6.614 11.532 -7.561 1.00 1.77 C ATOM 2501 NZ LYS A 157 -7.277 11.575 -8.891 1.00 2.30 N ATOM 0 H LYS A 157 -10.403 12.077 -3.916 1.00 0.46 H new ATOM 0 HA LYS A 157 -7.769 11.783 -4.150 1.00 0.46 H new ATOM 0 HB2 LYS A 157 -9.909 12.888 -5.921 1.00 0.54 H new ATOM 0 HB3 LYS A 157 -8.266 13.188 -6.450 1.00 0.54 H new ATOM 0 HG2 LYS A 157 -9.345 10.431 -5.759 1.00 0.60 H new ATOM 0 HG3 LYS A 157 -9.313 11.091 -7.382 1.00 0.60 H new ATOM 0 HD2 LYS A 157 -6.872 10.672 -5.607 1.00 1.33 H new ATOM 0 HD3 LYS A 157 -7.359 9.619 -6.920 1.00 1.33 H new ATOM 0 HE2 LYS A 157 -6.537 12.543 -7.161 1.00 1.77 H new ATOM 0 HE3 LYS A 157 -5.597 11.156 -7.674 1.00 1.77 H new ATOM 0 HZ1 LYS A 157 -6.554 11.596 -9.639 1.00 2.30 H new ATOM 0 HZ2 LYS A 157 -7.873 10.731 -9.009 1.00 2.30 H new ATOM 0 HZ3 LYS A 157 -7.868 12.428 -8.957 1.00 2.30 H new ATOM 2515 N TRP A 158 -6.311 13.741 -4.149 1.00 0.45 N ATOM 2516 CA TRP A 158 -5.388 14.856 -3.975 1.00 0.54 C ATOM 2517 C TRP A 158 -5.684 15.966 -4.979 1.00 0.75 C ATOM 2518 O TRP A 158 -5.805 15.658 -6.182 1.00 1.21 O ATOM 2519 CB TRP A 158 -3.946 14.348 -4.135 1.00 0.62 C ATOM 2520 CG TRP A 158 -2.932 15.425 -4.386 1.00 0.71 C ATOM 2521 CD1 TRP A 158 -2.666 16.040 -5.579 1.00 0.98 C ATOM 2522 CD2 TRP A 158 -2.019 15.982 -3.438 1.00 0.72 C ATOM 2523 NE1 TRP A 158 -1.667 16.967 -5.421 1.00 1.04 N ATOM 2524 CE2 TRP A 158 -1.248 16.947 -4.116 1.00 0.89 C ATOM 2525 CE3 TRP A 158 -1.786 15.768 -2.077 1.00 0.81 C ATOM 2526 CZ2 TRP A 158 -0.262 17.692 -3.480 1.00 1.01 C ATOM 2527 CZ3 TRP A 158 -0.804 16.509 -1.448 1.00 1.03 C ATOM 2528 CH2 TRP A 158 -0.053 17.460 -2.147 1.00 1.07 C ATOM 2529 OXT TRP A 158 -5.792 17.135 -4.551 1.00 1.47 O ATOM 0 H TRP A 158 -5.851 12.836 -4.250 1.00 0.45 H new ATOM 0 HA TRP A 158 -5.514 15.273 -2.976 1.00 0.54 H new ATOM 0 HB2 TRP A 158 -3.664 13.804 -3.234 1.00 0.62 H new ATOM 0 HB3 TRP A 158 -3.914 13.637 -4.960 1.00 0.62 H new ATOM 0 HD1 TRP A 158 -3.170 15.827 -6.510 1.00 0.98 H new ATOM 0 HE1 TRP A 158 -1.297 17.572 -6.154 1.00 1.04 H new ATOM 0 HE3 TRP A 158 -2.362 15.038 -1.528 1.00 0.81 H new ATOM 0 HZ2 TRP A 158 0.318 18.427 -4.018 1.00 1.01 H new ATOM 0 HZ3 TRP A 158 -0.613 16.351 -0.397 1.00 1.03 H new ATOM 0 HH2 TRP A 158 0.707 18.022 -1.625 1.00 1.07 H new