USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1059 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 98 THR OG1 : rot -86:sc= 0.62 USER MOD Set 1.2: A 129 HIS :FLIP no HD1:sc= 0.831 F(o=-1.3,f=1.5) USER MOD Set 2.1: A 78 GLN :FLIP amide:sc= -0.679 F(o=-4.5!,f=0.52) USER MOD Set 2.2: A 80 SER OG : rot 92:sc= 1.2 USER MOD Set 3.1: A 52 THR OG1 : rot 180:sc= -0.433 USER MOD Set 3.2: A 76 THR OG1 : rot 180:sc= -1.04 USER MOD Set 4.1: A 38 ASN :FLIP amide:sc= 0.409 F(o=-3.7,f=-0.46) USER MOD Set 4.2: A 41 ASN : amide:sc= -1.06 K(o=-0.46,f=-1.1) USER MOD Set 4.3: A 97 SER OG : rot 78:sc= 0.183 USER MOD Set 5.1: A 19 ASN :FLIP amide:sc= -0.164 F(o=-3.9!,f=-1.7) USER MOD Set 5.2: A 102 TYR OH : rot 0:sc= -1.49! USER MOD Set 6.1: A 9 LYS NZ :NH3+ -125:sc= 1.11 (180deg=0) USER MOD Set 6.2: A 105 SER OG : rot 180:sc= 0.952 USER MOD Set 7.1: A 4 LYS NZ :NH3+ 157:sc= 0.672 (180deg=-0.0607) USER MOD Set 7.2: A 8 ASN : amide:sc= -0.844 K(o=-0.17,f=-6.7!) USER MOD Set 8.1: A 1 PHE N :NH3+ -166:sc= -0.0385 (180deg=-0.107) USER MOD Set 8.2: A 2 ASN : amide:sc= -0.239 K(o=-0.28,f=-4.4!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 66:sc= 1.26 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= -0.0545 (180deg=-0.275) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.67 F(o=-4.9!,f=-0.67) USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.13) USER MOD Single : A 30 SER OG : rot -170:sc= -1.58! USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot -117:sc= 0.763 USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.0966 (180deg=-0.458) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -143:sc= -0.108 (180deg=-0.499) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -0.0866 (180deg=-0.474) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.491 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -101:sc= 0.377 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.935 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 173:sc=-0.00527 (180deg=-0.0656) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -0.0929 (180deg=-0.375) USER MOD Single : A 81 GLN : amide:sc= -0.093 K(o=-0.093,f=-0.73) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0483 USER MOD Single : A 91 GLN :FLIP amide:sc= -1.75 F(o=-4.8!,f=-1.7) USER MOD Single : A 93 MET CE :methyl 169:sc= -2.55! (180deg=-3.08) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -4.64! C(o=-4.6!,f=-6.8!) USER MOD Single : A 123 THR OG1 : rot -160:sc= -0.541 USER MOD Single : A 127 LYS NZ :NH3+ 163:sc= -0.0296 (180deg=-0.263) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 170:sc= -0.0076 (180deg=-0.102) USER MOD Single : A 135 LYS NZ :NH3+ 166:sc= -0.0353 (180deg=-0.268) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 21:sc= 1.5 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -24.115 10.314 3.347 1.00 1.58 N ATOM 2 CA PHE A 1 -22.715 10.247 2.856 1.00 0.99 C ATOM 3 C PHE A 1 -22.132 8.856 3.069 1.00 0.95 C ATOM 4 O PHE A 1 -21.306 8.392 2.282 1.00 0.87 O ATOM 5 CB PHE A 1 -21.855 11.288 3.575 1.00 1.84 C ATOM 6 CG PHE A 1 -22.254 12.704 3.271 1.00 2.02 C ATOM 7 CD1 PHE A 1 -23.205 13.349 4.046 1.00 2.67 C ATOM 8 CD2 PHE A 1 -21.682 13.387 2.211 1.00 1.89 C ATOM 9 CE1 PHE A 1 -23.577 14.649 3.769 1.00 3.09 C ATOM 10 CE2 PHE A 1 -22.050 14.689 1.928 1.00 2.25 C ATOM 11 CZ PHE A 1 -22.999 15.321 2.709 1.00 2.83 C ATOM 0 H1 PHE A 1 -24.569 11.177 2.986 1.00 1.58 H new ATOM 0 H2 PHE A 1 -24.640 9.481 3.013 1.00 1.58 H new ATOM 0 H3 PHE A 1 -24.118 10.331 4.387 1.00 1.58 H new ATOM 0 HA PHE A 1 -22.718 10.460 1.787 1.00 0.99 H new ATOM 0 HB2 PHE A 1 -21.921 11.123 4.650 1.00 1.84 H new ATOM 0 HB3 PHE A 1 -20.812 11.144 3.294 1.00 1.84 H new ATOM 0 HD1 PHE A 1 -23.660 12.829 4.876 1.00 2.67 H new ATOM 0 HD2 PHE A 1 -20.940 12.897 1.598 1.00 1.89 H new ATOM 0 HE1 PHE A 1 -24.319 15.141 4.380 1.00 3.09 H new ATOM 0 HE2 PHE A 1 -21.597 15.211 1.098 1.00 2.25 H new ATOM 0 HZ PHE A 1 -23.288 16.338 2.491 1.00 2.83 H new ATOM 23 N ASN A 2 -22.567 8.195 4.137 1.00 1.03 N ATOM 24 CA ASN A 2 -22.091 6.853 4.452 1.00 1.03 C ATOM 25 C ASN A 2 -22.569 5.850 3.413 1.00 0.98 C ATOM 26 O ASN A 2 -22.015 4.760 3.298 1.00 0.95 O ATOM 27 CB ASN A 2 -22.561 6.431 5.847 1.00 1.14 C ATOM 28 CG ASN A 2 -24.072 6.349 5.952 1.00 1.25 C ATOM 29 OD1 ASN A 2 -24.794 7.085 5.279 1.00 2.08 O ATOM 30 ND2 ASN A 2 -24.559 5.450 6.800 1.00 1.42 N ATOM 0 H ASN A 2 -23.248 8.567 4.799 1.00 1.03 H new ATOM 0 HA ASN A 2 -21.001 6.870 4.438 1.00 1.03 H new ATOM 0 HB2 ASN A 2 -22.130 5.461 6.094 1.00 1.14 H new ATOM 0 HB3 ASN A 2 -22.187 7.142 6.583 1.00 1.14 H new ATOM 0 HD21 ASN A 2 -25.568 5.349 6.913 1.00 1.42 H new ATOM 0 HD22 ASN A 2 -23.924 4.860 7.338 1.00 1.42 H new ATOM 37 N LYS A 3 -23.601 6.216 2.658 1.00 0.99 N ATOM 38 CA LYS A 3 -24.122 5.336 1.622 1.00 0.99 C ATOM 39 C LYS A 3 -23.018 5.011 0.622 1.00 0.88 C ATOM 40 O LYS A 3 -22.879 3.871 0.176 1.00 0.88 O ATOM 41 CB LYS A 3 -25.311 5.988 0.910 1.00 1.05 C ATOM 42 CG LYS A 3 -25.928 5.115 -0.172 1.00 1.40 C ATOM 43 CD LYS A 3 -27.165 5.761 -0.778 1.00 1.98 C ATOM 44 CE LYS A 3 -26.821 7.031 -1.541 1.00 2.69 C ATOM 45 NZ LYS A 3 -28.022 7.633 -2.182 1.00 3.23 N ATOM 0 H LYS A 3 -24.088 7.108 2.744 1.00 0.99 H new ATOM 0 HA LYS A 3 -24.468 4.412 2.085 1.00 0.99 H new ATOM 0 HB2 LYS A 3 -26.076 6.232 1.647 1.00 1.05 H new ATOM 0 HB3 LYS A 3 -24.986 6.928 0.465 1.00 1.05 H new ATOM 0 HG2 LYS A 3 -25.192 4.932 -0.955 1.00 1.40 H new ATOM 0 HG3 LYS A 3 -26.193 4.145 0.250 1.00 1.40 H new ATOM 0 HD2 LYS A 3 -27.653 5.054 -1.449 1.00 1.98 H new ATOM 0 HD3 LYS A 3 -27.878 5.994 0.013 1.00 1.98 H new ATOM 0 HE2 LYS A 3 -26.372 7.754 -0.860 1.00 2.69 H new ATOM 0 HE3 LYS A 3 -26.076 6.806 -2.304 1.00 2.69 H new ATOM 0 HZ1 LYS A 3 -27.747 8.496 -2.692 1.00 3.23 H new ATOM 0 HZ2 LYS A 3 -28.436 6.953 -2.851 1.00 3.23 H new ATOM 0 HZ3 LYS A 3 -28.723 7.871 -1.451 1.00 3.23 H new ATOM 59 N LYS A 4 -22.218 6.021 0.296 1.00 0.82 N ATOM 60 CA LYS A 4 -21.111 5.855 -0.636 1.00 0.74 C ATOM 61 C LYS A 4 -19.934 5.199 0.070 1.00 0.69 C ATOM 62 O LYS A 4 -19.194 4.418 -0.527 1.00 0.64 O ATOM 63 CB LYS A 4 -20.697 7.209 -1.221 1.00 0.74 C ATOM 64 CG LYS A 4 -19.508 7.138 -2.172 1.00 1.23 C ATOM 65 CD LYS A 4 -19.820 6.302 -3.404 1.00 1.54 C ATOM 66 CE LYS A 4 -18.763 6.486 -4.485 1.00 2.11 C ATOM 67 NZ LYS A 4 -17.398 6.160 -3.988 1.00 2.63 N ATOM 0 H LYS A 4 -22.317 6.966 0.666 1.00 0.82 H new ATOM 0 HA LYS A 4 -21.433 5.212 -1.455 1.00 0.74 H new ATOM 0 HB2 LYS A 4 -21.547 7.639 -1.751 1.00 0.74 H new ATOM 0 HB3 LYS A 4 -20.454 7.887 -0.403 1.00 0.74 H new ATOM 0 HG2 LYS A 4 -19.227 8.146 -2.478 1.00 1.23 H new ATOM 0 HG3 LYS A 4 -18.651 6.712 -1.651 1.00 1.23 H new ATOM 0 HD2 LYS A 4 -19.878 5.250 -3.126 1.00 1.54 H new ATOM 0 HD3 LYS A 4 -20.797 6.582 -3.797 1.00 1.54 H new ATOM 0 HE2 LYS A 4 -19.001 5.849 -5.337 1.00 2.11 H new ATOM 0 HE3 LYS A 4 -18.783 7.516 -4.841 1.00 2.11 H new ATOM 0 HZ1 LYS A 4 -16.785 5.917 -4.792 1.00 2.63 H new ATOM 0 HZ2 LYS A 4 -17.004 6.983 -3.489 1.00 2.63 H new ATOM 0 HZ3 LYS A 4 -17.450 5.352 -3.335 1.00 2.63 H new ATOM 81 N ALA A 5 -19.770 5.524 1.349 1.00 0.73 N ATOM 82 CA ALA A 5 -18.694 4.960 2.148 1.00 0.73 C ATOM 83 C ALA A 5 -18.807 3.441 2.182 1.00 0.71 C ATOM 84 O ALA A 5 -17.851 2.723 1.878 1.00 0.64 O ATOM 85 CB ALA A 5 -18.726 5.533 3.558 1.00 0.82 C ATOM 0 H ALA A 5 -20.371 6.176 1.852 1.00 0.73 H new ATOM 0 HA ALA A 5 -17.740 5.226 1.692 1.00 0.73 H new ATOM 0 HB1 ALA A 5 -17.915 5.102 4.145 1.00 0.82 H new ATOM 0 HB2 ALA A 5 -18.606 6.615 3.514 1.00 0.82 H new ATOM 0 HB3 ALA A 5 -19.680 5.293 4.027 1.00 0.82 H new ATOM 91 N ASP A 6 -19.989 2.959 2.548 1.00 0.80 N ATOM 92 CA ASP A 6 -20.239 1.526 2.605 1.00 0.81 C ATOM 93 C ASP A 6 -20.128 0.918 1.217 1.00 0.75 C ATOM 94 O ASP A 6 -19.673 -0.217 1.067 1.00 0.74 O ATOM 95 CB ASP A 6 -21.617 1.236 3.202 1.00 0.90 C ATOM 96 CG ASP A 6 -21.718 1.657 4.655 1.00 1.65 C ATOM 97 OD1 ASP A 6 -21.196 0.925 5.521 1.00 1.58 O ATOM 98 OD2 ASP A 6 -22.321 2.716 4.926 1.00 2.57 O ATOM 0 H ASP A 6 -20.787 3.539 2.809 1.00 0.80 H new ATOM 0 HA ASP A 6 -19.486 1.073 3.250 1.00 0.81 H new ATOM 0 HB2 ASP A 6 -22.378 1.757 2.622 1.00 0.90 H new ATOM 0 HB3 ASP A 6 -21.828 0.170 3.120 1.00 0.90 H new ATOM 103 N GLU A 7 -20.550 1.669 0.201 1.00 0.74 N ATOM 104 CA GLU A 7 -20.455 1.189 -1.170 1.00 0.71 C ATOM 105 C GLU A 7 -19.012 0.819 -1.475 1.00 0.63 C ATOM 106 O GLU A 7 -18.738 -0.099 -2.247 1.00 0.59 O ATOM 107 CB GLU A 7 -20.950 2.250 -2.156 1.00 0.72 C ATOM 108 CG GLU A 7 -22.457 2.246 -2.352 1.00 1.31 C ATOM 109 CD GLU A 7 -22.954 0.970 -3.004 1.00 1.58 C ATOM 110 OE1 GLU A 7 -23.016 0.925 -4.251 1.00 1.91 O ATOM 111 OE2 GLU A 7 -23.282 0.016 -2.268 1.00 2.10 O ATOM 0 H GLU A 7 -20.955 2.600 0.302 1.00 0.74 H new ATOM 0 HA GLU A 7 -21.088 0.308 -1.280 1.00 0.71 H new ATOM 0 HB2 GLU A 7 -20.641 3.234 -1.803 1.00 0.72 H new ATOM 0 HB3 GLU A 7 -20.467 2.091 -3.120 1.00 0.72 H new ATOM 0 HG2 GLU A 7 -22.946 2.371 -1.386 1.00 1.31 H new ATOM 0 HG3 GLU A 7 -22.743 3.100 -2.967 1.00 1.31 H new ATOM 118 N ASN A 8 -18.092 1.550 -0.855 1.00 0.61 N ATOM 119 CA ASN A 8 -16.670 1.309 -1.041 1.00 0.54 C ATOM 120 C ASN A 8 -16.233 0.048 -0.304 1.00 0.48 C ATOM 121 O ASN A 8 -15.389 -0.704 -0.791 1.00 0.39 O ATOM 122 CB ASN A 8 -15.858 2.502 -0.539 1.00 0.62 C ATOM 123 CG ASN A 8 -16.442 3.825 -0.991 1.00 0.62 C ATOM 124 OD1 ASN A 8 -16.993 3.932 -2.087 1.00 1.40 O ATOM 125 ND2 ASN A 8 -16.330 4.840 -0.143 1.00 0.55 N ATOM 0 H ASN A 8 -18.309 2.316 -0.218 1.00 0.61 H new ATOM 0 HA ASN A 8 -16.489 1.174 -2.107 1.00 0.54 H new ATOM 0 HB2 ASN A 8 -15.817 2.478 0.550 1.00 0.62 H new ATOM 0 HB3 ASN A 8 -14.832 2.418 -0.899 1.00 0.62 H new ATOM 0 HD21 ASN A 8 -16.709 5.754 -0.389 1.00 0.55 H new ATOM 0 HD22 ASN A 8 -15.865 4.705 0.755 1.00 0.55 H new ATOM 132 N LYS A 9 -16.807 -0.173 0.874 1.00 0.57 N ATOM 133 CA LYS A 9 -16.468 -1.342 1.680 1.00 0.57 C ATOM 134 C LYS A 9 -16.856 -2.642 0.978 1.00 0.48 C ATOM 135 O LYS A 9 -16.128 -3.632 1.053 1.00 0.44 O ATOM 136 CB LYS A 9 -17.152 -1.261 3.047 1.00 0.72 C ATOM 137 CG LYS A 9 -16.637 -2.285 4.048 1.00 0.86 C ATOM 138 CD LYS A 9 -15.178 -2.040 4.397 1.00 1.55 C ATOM 139 CE LYS A 9 -14.664 -3.057 5.404 1.00 1.84 C ATOM 140 NZ LYS A 9 -13.230 -2.832 5.736 1.00 2.67 N ATOM 0 H LYS A 9 -17.507 0.440 1.292 1.00 0.57 H new ATOM 0 HA LYS A 9 -15.387 -1.345 1.817 1.00 0.57 H new ATOM 0 HB2 LYS A 9 -17.009 -0.261 3.457 1.00 0.72 H new ATOM 0 HB3 LYS A 9 -18.225 -1.401 2.916 1.00 0.72 H new ATOM 0 HG2 LYS A 9 -17.241 -2.244 4.955 1.00 0.86 H new ATOM 0 HG3 LYS A 9 -16.750 -3.287 3.635 1.00 0.86 H new ATOM 0 HD2 LYS A 9 -14.574 -2.087 3.491 1.00 1.55 H new ATOM 0 HD3 LYS A 9 -15.065 -1.035 4.804 1.00 1.55 H new ATOM 0 HE2 LYS A 9 -15.261 -3.000 6.314 1.00 1.84 H new ATOM 0 HE3 LYS A 9 -14.790 -4.062 5.002 1.00 1.84 H new ATOM 0 HZ1 LYS A 9 -12.692 -3.705 5.563 1.00 2.67 H new ATOM 0 HZ2 LYS A 9 -12.851 -2.068 5.140 1.00 2.67 H new ATOM 0 HZ3 LYS A 9 -13.143 -2.565 6.737 1.00 2.67 H new ATOM 154 N VAL A 10 -18.001 -2.641 0.299 1.00 0.48 N ATOM 155 CA VAL A 10 -18.467 -3.836 -0.400 1.00 0.44 C ATOM 156 C VAL A 10 -17.622 -4.125 -1.641 1.00 0.39 C ATOM 157 O VAL A 10 -17.180 -5.257 -1.845 1.00 0.37 O ATOM 158 CB VAL A 10 -19.953 -3.731 -0.801 1.00 0.51 C ATOM 159 CG1 VAL A 10 -20.846 -3.787 0.430 1.00 1.27 C ATOM 160 CG2 VAL A 10 -20.218 -2.460 -1.592 1.00 1.15 C ATOM 0 H VAL A 10 -18.619 -1.833 0.218 1.00 0.48 H new ATOM 0 HA VAL A 10 -18.359 -4.662 0.303 1.00 0.44 H new ATOM 0 HB VAL A 10 -20.188 -4.582 -1.440 1.00 0.51 H new ATOM 0 HG11 VAL A 10 -21.890 -3.711 0.126 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -20.687 -4.731 0.952 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -20.601 -2.959 1.095 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -21.273 -2.412 -1.861 1.00 1.15 H new ATOM 0 HG22 VAL A 10 -19.959 -1.593 -0.985 1.00 1.15 H new ATOM 0 HG23 VAL A 10 -19.612 -2.462 -2.498 1.00 1.15 H new ATOM 170 N LYS A 11 -17.394 -3.107 -2.467 1.00 0.38 N ATOM 171 CA LYS A 11 -16.594 -3.277 -3.676 1.00 0.37 C ATOM 172 C LYS A 11 -15.132 -3.529 -3.318 1.00 0.31 C ATOM 173 O LYS A 11 -14.391 -4.143 -4.086 1.00 0.30 O ATOM 174 CB LYS A 11 -16.717 -2.057 -4.595 1.00 0.40 C ATOM 175 CG LYS A 11 -16.226 -0.757 -3.974 1.00 0.39 C ATOM 176 CD LYS A 11 -16.469 0.430 -4.898 1.00 0.46 C ATOM 177 CE LYS A 11 -17.953 0.681 -5.120 1.00 1.37 C ATOM 178 NZ LYS A 11 -18.189 1.804 -6.069 1.00 1.69 N ATOM 0 H LYS A 11 -17.749 -2.162 -2.323 1.00 0.38 H new ATOM 0 HA LYS A 11 -16.977 -4.145 -4.214 1.00 0.37 H new ATOM 0 HB2 LYS A 11 -16.153 -2.246 -5.509 1.00 0.40 H new ATOM 0 HB3 LYS A 11 -17.761 -1.937 -4.884 1.00 0.40 H new ATOM 0 HG2 LYS A 11 -16.735 -0.591 -3.025 1.00 0.39 H new ATOM 0 HG3 LYS A 11 -15.161 -0.837 -3.755 1.00 0.39 H new ATOM 0 HD2 LYS A 11 -16.010 1.322 -4.472 1.00 0.46 H new ATOM 0 HD3 LYS A 11 -15.984 0.249 -5.857 1.00 0.46 H new ATOM 0 HE2 LYS A 11 -18.421 -0.225 -5.505 1.00 1.37 H new ATOM 0 HE3 LYS A 11 -18.430 0.905 -4.166 1.00 1.37 H new ATOM 0 HZ1 LYS A 11 -19.212 1.944 -6.194 1.00 1.69 H new ATOM 0 HZ2 LYS A 11 -17.764 2.674 -5.689 1.00 1.69 H new ATOM 0 HZ3 LYS A 11 -17.756 1.579 -6.987 1.00 1.69 H new ATOM 192 N GLY A 12 -14.730 -3.048 -2.149 1.00 0.31 N ATOM 193 CA GLY A 12 -13.366 -3.226 -1.697 1.00 0.29 C ATOM 194 C GLY A 12 -13.085 -4.654 -1.279 1.00 0.27 C ATOM 195 O GLY A 12 -12.135 -5.272 -1.756 1.00 0.28 O ATOM 0 H GLY A 12 -15.329 -2.535 -1.503 1.00 0.31 H new ATOM 0 HA2 GLY A 12 -12.680 -2.941 -2.495 1.00 0.29 H new ATOM 0 HA3 GLY A 12 -13.173 -2.558 -0.857 1.00 0.29 H new ATOM 199 N GLU A 13 -13.917 -5.180 -0.383 1.00 0.26 N ATOM 200 CA GLU A 13 -13.763 -6.548 0.096 1.00 0.26 C ATOM 201 C GLU A 13 -13.918 -7.533 -1.057 1.00 0.23 C ATOM 202 O GLU A 13 -13.354 -8.626 -1.039 1.00 0.23 O ATOM 203 CB GLU A 13 -14.791 -6.847 1.189 1.00 0.30 C ATOM 204 CG GLU A 13 -14.691 -8.253 1.759 1.00 1.16 C ATOM 205 CD GLU A 13 -15.725 -8.520 2.835 1.00 1.67 C ATOM 206 OE1 GLU A 13 -16.863 -8.897 2.485 1.00 2.39 O ATOM 207 OE2 GLU A 13 -15.398 -8.354 4.030 1.00 1.95 O ATOM 0 H GLU A 13 -14.705 -4.677 0.025 1.00 0.26 H new ATOM 0 HA GLU A 13 -12.764 -6.658 0.517 1.00 0.26 H new ATOM 0 HB2 GLU A 13 -14.666 -6.127 1.998 1.00 0.30 H new ATOM 0 HB3 GLU A 13 -15.792 -6.700 0.783 1.00 0.30 H new ATOM 0 HG2 GLU A 13 -14.814 -8.977 0.954 1.00 1.16 H new ATOM 0 HG3 GLU A 13 -13.694 -8.403 2.173 1.00 1.16 H new ATOM 214 N ALA A 14 -14.684 -7.133 -2.063 1.00 0.22 N ATOM 215 CA ALA A 14 -14.912 -7.971 -3.232 1.00 0.21 C ATOM 216 C ALA A 14 -13.711 -7.919 -4.165 1.00 0.19 C ATOM 217 O ALA A 14 -13.411 -8.885 -4.867 1.00 0.23 O ATOM 218 CB ALA A 14 -16.174 -7.532 -3.963 1.00 0.23 C ATOM 0 H ALA A 14 -15.159 -6.231 -2.093 1.00 0.22 H new ATOM 0 HA ALA A 14 -15.046 -9.000 -2.899 1.00 0.21 H new ATOM 0 HB1 ALA A 14 -16.330 -8.168 -4.834 1.00 0.23 H new ATOM 0 HB2 ALA A 14 -17.030 -7.617 -3.294 1.00 0.23 H new ATOM 0 HB3 ALA A 14 -16.066 -6.496 -4.285 1.00 0.23 H new ATOM 224 N PHE A 15 -13.028 -6.779 -4.164 1.00 0.19 N ATOM 225 CA PHE A 15 -11.848 -6.589 -4.997 1.00 0.17 C ATOM 226 C PHE A 15 -10.720 -7.511 -4.548 1.00 0.15 C ATOM 227 O PHE A 15 -10.153 -8.249 -5.353 1.00 0.15 O ATOM 228 CB PHE A 15 -11.400 -5.123 -4.946 1.00 0.20 C ATOM 229 CG PHE A 15 -9.912 -4.926 -5.061 1.00 0.19 C ATOM 230 CD1 PHE A 15 -9.244 -5.215 -6.241 1.00 0.20 C ATOM 231 CD2 PHE A 15 -9.185 -4.445 -3.984 1.00 0.22 C ATOM 232 CE1 PHE A 15 -7.878 -5.029 -6.343 1.00 0.22 C ATOM 233 CE2 PHE A 15 -7.819 -4.253 -4.081 1.00 0.23 C ATOM 234 CZ PHE A 15 -7.166 -4.548 -5.260 1.00 0.21 C ATOM 0 H PHE A 15 -13.273 -5.970 -3.593 1.00 0.19 H new ATOM 0 HA PHE A 15 -12.102 -6.841 -6.026 1.00 0.17 H new ATOM 0 HB2 PHE A 15 -11.890 -4.577 -5.752 1.00 0.20 H new ATOM 0 HB3 PHE A 15 -11.742 -4.683 -4.009 1.00 0.20 H new ATOM 0 HD1 PHE A 15 -9.797 -5.590 -7.090 1.00 0.20 H new ATOM 0 HD2 PHE A 15 -9.691 -4.217 -3.058 1.00 0.22 H new ATOM 0 HE1 PHE A 15 -7.368 -5.259 -7.267 1.00 0.22 H new ATOM 0 HE2 PHE A 15 -7.265 -3.873 -3.236 1.00 0.23 H new ATOM 0 HZ PHE A 15 -6.099 -4.403 -5.337 1.00 0.21 H new ATOM 244 N LEU A 16 -10.397 -7.461 -3.260 1.00 0.16 N ATOM 245 CA LEU A 16 -9.332 -8.302 -2.717 1.00 0.18 C ATOM 246 C LEU A 16 -9.726 -9.773 -2.748 1.00 0.18 C ATOM 247 O LEU A 16 -8.875 -10.647 -2.907 1.00 0.19 O ATOM 248 CB LEU A 16 -8.963 -7.883 -1.301 1.00 0.24 C ATOM 249 CG LEU A 16 -10.124 -7.373 -0.450 1.00 0.40 C ATOM 250 CD1 LEU A 16 -10.772 -8.522 0.305 1.00 0.53 C ATOM 251 CD2 LEU A 16 -9.647 -6.300 0.513 1.00 0.55 C ATOM 0 H LEU A 16 -10.851 -6.854 -2.577 1.00 0.16 H new ATOM 0 HA LEU A 16 -8.455 -8.167 -3.351 1.00 0.18 H new ATOM 0 HB2 LEU A 16 -8.509 -8.734 -0.794 1.00 0.24 H new ATOM 0 HB3 LEU A 16 -8.204 -7.103 -1.356 1.00 0.24 H new ATOM 0 HG LEU A 16 -10.870 -6.932 -1.111 1.00 0.40 H new ATOM 0 HD11 LEU A 16 -11.598 -8.142 0.907 1.00 0.53 H new ATOM 0 HD12 LEU A 16 -11.149 -9.257 -0.406 1.00 0.53 H new ATOM 0 HD13 LEU A 16 -10.034 -8.992 0.956 1.00 0.53 H new ATOM 0 HD21 LEU A 16 -10.488 -5.948 1.111 1.00 0.55 H new ATOM 0 HD22 LEU A 16 -8.882 -6.715 1.170 1.00 0.55 H new ATOM 0 HD23 LEU A 16 -9.228 -5.466 -0.050 1.00 0.55 H new ATOM 263 N THR A 17 -11.021 -10.044 -2.592 1.00 0.19 N ATOM 264 CA THR A 17 -11.516 -11.414 -2.620 1.00 0.20 C ATOM 265 C THR A 17 -11.117 -12.079 -3.932 1.00 0.21 C ATOM 266 O THR A 17 -10.613 -13.203 -3.945 1.00 0.22 O ATOM 267 CB THR A 17 -13.049 -11.461 -2.459 1.00 0.22 C ATOM 268 OG1 THR A 17 -13.406 -11.177 -1.101 1.00 0.24 O ATOM 269 CG2 THR A 17 -13.605 -12.820 -2.856 1.00 0.27 C ATOM 0 H THR A 17 -11.740 -9.336 -2.446 1.00 0.19 H new ATOM 0 HA THR A 17 -11.070 -11.952 -1.783 1.00 0.20 H new ATOM 0 HB THR A 17 -13.479 -10.708 -3.119 1.00 0.22 H new ATOM 0 HG1 THR A 17 -13.173 -10.249 -0.889 1.00 0.24 H new ATOM 0 HG21 THR A 17 -14.688 -12.821 -2.731 1.00 0.27 H new ATOM 0 HG22 THR A 17 -13.360 -13.023 -3.898 1.00 0.27 H new ATOM 0 HG23 THR A 17 -13.166 -13.592 -2.223 1.00 0.27 H new ATOM 277 N GLU A 18 -11.349 -11.375 -5.031 1.00 0.21 N ATOM 278 CA GLU A 18 -10.989 -11.877 -6.351 1.00 0.22 C ATOM 279 C GLU A 18 -9.476 -11.819 -6.531 1.00 0.21 C ATOM 280 O GLU A 18 -8.883 -12.657 -7.210 1.00 0.24 O ATOM 281 CB GLU A 18 -11.675 -11.055 -7.445 1.00 0.23 C ATOM 282 CG GLU A 18 -13.192 -11.057 -7.347 1.00 1.25 C ATOM 283 CD GLU A 18 -13.847 -10.219 -8.426 1.00 1.71 C ATOM 284 OE1 GLU A 18 -14.140 -10.768 -9.509 1.00 2.02 O ATOM 285 OE2 GLU A 18 -14.067 -9.012 -8.189 1.00 2.47 O ATOM 0 H GLU A 18 -11.786 -10.453 -5.035 1.00 0.21 H new ATOM 0 HA GLU A 18 -11.323 -12.911 -6.433 1.00 0.22 H new ATOM 0 HB2 GLU A 18 -11.317 -10.027 -7.393 1.00 0.23 H new ATOM 0 HB3 GLU A 18 -11.382 -11.446 -8.419 1.00 0.23 H new ATOM 0 HG2 GLU A 18 -13.556 -12.082 -7.418 1.00 1.25 H new ATOM 0 HG3 GLU A 18 -13.490 -10.680 -6.369 1.00 1.25 H new ATOM 292 N ASN A 19 -8.864 -10.815 -5.907 1.00 0.19 N ATOM 293 CA ASN A 19 -7.420 -10.620 -5.975 1.00 0.19 C ATOM 294 C ASN A 19 -6.663 -11.831 -5.431 1.00 0.21 C ATOM 295 O ASN A 19 -5.509 -12.061 -5.787 1.00 0.22 O ATOM 296 CB ASN A 19 -7.018 -9.371 -5.187 1.00 0.17 C ATOM 297 CG ASN A 19 -5.591 -9.463 -4.698 1.00 0.16 C ATOM 298 OD1 ASN A 19 -5.405 -10.145 -3.575 1.00 0.22 O flip ATOM 299 ND2 ASN A 19 -4.669 -8.943 -5.327 1.00 0.18 N flip ATOM 0 H ASN A 19 -9.352 -10.119 -5.344 1.00 0.19 H new ATOM 0 HA ASN A 19 -7.155 -10.494 -7.025 1.00 0.19 H new ATOM 0 HB2 ASN A 19 -7.132 -8.489 -5.817 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -7.688 -9.244 -4.337 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -4.864 -8.429 -6.186 1.00 0.18 H new ATOM 0 HD22 ASN A 19 -3.710 -9.027 -4.989 1.00 0.18 H new ATOM 306 N LYS A 20 -7.311 -12.591 -4.554 1.00 0.23 N ATOM 307 CA LYS A 20 -6.697 -13.775 -3.954 1.00 0.26 C ATOM 308 C LYS A 20 -6.080 -14.689 -5.011 1.00 0.27 C ATOM 309 O LYS A 20 -5.216 -15.511 -4.705 1.00 0.29 O ATOM 310 CB LYS A 20 -7.734 -14.549 -3.139 1.00 0.29 C ATOM 311 CG LYS A 20 -8.212 -13.805 -1.904 1.00 1.04 C ATOM 312 CD LYS A 20 -9.428 -14.473 -1.287 1.00 1.41 C ATOM 313 CE LYS A 20 -9.869 -13.763 -0.016 1.00 1.75 C ATOM 314 NZ LYS A 20 -8.814 -13.800 1.034 1.00 2.45 N ATOM 0 H LYS A 20 -8.264 -12.409 -4.241 1.00 0.23 H new ATOM 0 HA LYS A 20 -5.896 -13.435 -3.297 1.00 0.26 H new ATOM 0 HB2 LYS A 20 -8.591 -14.771 -3.774 1.00 0.29 H new ATOM 0 HB3 LYS A 20 -7.306 -15.504 -2.835 1.00 0.29 H new ATOM 0 HG2 LYS A 20 -7.408 -13.762 -1.170 1.00 1.04 H new ATOM 0 HG3 LYS A 20 -8.456 -12.776 -2.170 1.00 1.04 H new ATOM 0 HD2 LYS A 20 -10.247 -14.476 -2.006 1.00 1.41 H new ATOM 0 HD3 LYS A 20 -9.198 -15.514 -1.062 1.00 1.41 H new ATOM 0 HE2 LYS A 20 -10.116 -12.727 -0.246 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -10.777 -14.230 0.365 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -9.225 -13.524 1.949 1.00 2.45 H new ATOM 0 HZ2 LYS A 20 -8.428 -14.763 1.104 1.00 2.45 H new ATOM 0 HZ3 LYS A 20 -8.052 -13.138 0.784 1.00 2.45 H new ATOM 328 N ASN A 21 -6.525 -14.539 -6.253 1.00 0.27 N ATOM 329 CA ASN A 21 -6.034 -15.364 -7.351 1.00 0.30 C ATOM 330 C ASN A 21 -4.580 -15.043 -7.686 1.00 0.28 C ATOM 331 O ASN A 21 -3.819 -15.923 -8.090 1.00 0.31 O ATOM 332 CB ASN A 21 -6.914 -15.170 -8.584 1.00 0.33 C ATOM 333 CG ASN A 21 -8.331 -15.652 -8.351 1.00 0.35 C ATOM 334 OD1 ASN A 21 -8.820 -15.479 -7.127 1.00 0.40 O flip ATOM 335 ND2 ASN A 21 -8.983 -16.164 -9.261 1.00 0.34 N flip ATOM 0 H ASN A 21 -7.227 -13.851 -6.526 1.00 0.27 H new ATOM 0 HA ASN A 21 -6.080 -16.406 -7.035 1.00 0.30 H new ATOM 0 HB2 ASN A 21 -6.930 -14.114 -8.856 1.00 0.33 H new ATOM 0 HB3 ASN A 21 -6.481 -15.709 -9.427 1.00 0.33 H new ATOM 0 HD21 ASN A 21 -8.567 -16.277 -10.185 1.00 0.34 H new ATOM 0 HD22 ASN A 21 -9.939 -16.475 -9.091 1.00 0.34 H new ATOM 342 N LYS A 22 -4.205 -13.778 -7.520 1.00 0.25 N ATOM 343 CA LYS A 22 -2.842 -13.329 -7.799 1.00 0.24 C ATOM 344 C LYS A 22 -1.815 -14.261 -7.147 1.00 0.24 C ATOM 345 O LYS A 22 -1.796 -14.411 -5.928 1.00 0.23 O ATOM 346 CB LYS A 22 -2.655 -11.896 -7.287 1.00 0.26 C ATOM 347 CG LYS A 22 -3.215 -10.823 -8.219 1.00 0.41 C ATOM 348 CD LYS A 22 -4.678 -11.062 -8.563 1.00 1.16 C ATOM 349 CE LYS A 22 -5.200 -10.018 -9.537 1.00 1.03 C ATOM 350 NZ LYS A 22 -6.620 -10.264 -9.910 1.00 1.40 N ATOM 0 H LYS A 22 -4.829 -13.041 -7.192 1.00 0.25 H new ATOM 0 HA LYS A 22 -2.683 -13.351 -8.877 1.00 0.24 H new ATOM 0 HB2 LYS A 22 -3.136 -11.804 -6.313 1.00 0.26 H new ATOM 0 HB3 LYS A 22 -1.591 -11.712 -7.136 1.00 0.26 H new ATOM 0 HG2 LYS A 22 -3.110 -9.845 -7.748 1.00 0.41 H new ATOM 0 HG3 LYS A 22 -2.628 -10.800 -9.137 1.00 0.41 H new ATOM 0 HD2 LYS A 22 -4.793 -12.055 -8.997 1.00 1.16 H new ATOM 0 HD3 LYS A 22 -5.275 -11.041 -7.651 1.00 1.16 H new ATOM 0 HE2 LYS A 22 -5.109 -9.028 -9.090 1.00 1.03 H new ATOM 0 HE3 LYS A 22 -4.583 -10.020 -10.436 1.00 1.03 H new ATOM 0 HZ1 LYS A 22 -6.856 -9.714 -10.760 1.00 1.40 H new ATOM 0 HZ2 LYS A 22 -6.758 -11.276 -10.104 1.00 1.40 H new ATOM 0 HZ3 LYS A 22 -7.240 -9.974 -9.127 1.00 1.40 H new ATOM 364 N PRO A 23 -0.951 -14.911 -7.953 1.00 0.29 N ATOM 365 CA PRO A 23 0.070 -15.828 -7.432 1.00 0.33 C ATOM 366 C PRO A 23 1.003 -15.159 -6.428 1.00 0.33 C ATOM 367 O PRO A 23 1.419 -14.018 -6.620 1.00 0.34 O ATOM 368 CB PRO A 23 0.851 -16.255 -8.679 1.00 0.42 C ATOM 369 CG PRO A 23 -0.068 -15.992 -9.822 1.00 0.65 C ATOM 370 CD PRO A 23 -0.896 -14.806 -9.423 1.00 0.35 C ATOM 0 HA PRO A 23 -0.381 -16.660 -6.891 1.00 0.33 H new ATOM 0 HB2 PRO A 23 1.776 -15.687 -8.778 1.00 0.42 H new ATOM 0 HB3 PRO A 23 1.127 -17.308 -8.630 1.00 0.42 H new ATOM 0 HG2 PRO A 23 0.493 -15.787 -10.734 1.00 0.65 H new ATOM 0 HG3 PRO A 23 -0.698 -16.858 -10.023 1.00 0.65 H new ATOM 0 HD2 PRO A 23 -0.438 -13.870 -9.743 1.00 0.35 H new ATOM 0 HD3 PRO A 23 -1.891 -14.842 -9.867 1.00 0.35 H new ATOM 378 N GLY A 24 1.334 -15.880 -5.361 1.00 0.34 N ATOM 379 CA GLY A 24 2.233 -15.348 -4.352 1.00 0.37 C ATOM 380 C GLY A 24 1.536 -14.553 -3.259 1.00 0.33 C ATOM 381 O GLY A 24 2.201 -13.995 -2.386 1.00 0.36 O ATOM 0 H GLY A 24 0.995 -16.824 -5.177 1.00 0.34 H new ATOM 0 HA2 GLY A 24 2.779 -16.173 -3.895 1.00 0.37 H new ATOM 0 HA3 GLY A 24 2.970 -14.709 -4.838 1.00 0.37 H new ATOM 385 N VAL A 25 0.206 -14.489 -3.300 1.00 0.29 N ATOM 386 CA VAL A 25 -0.547 -13.753 -2.285 1.00 0.29 C ATOM 387 C VAL A 25 -0.166 -14.220 -0.881 1.00 0.26 C ATOM 388 O VAL A 25 -0.366 -15.382 -0.526 1.00 0.31 O ATOM 389 CB VAL A 25 -2.074 -13.900 -2.481 1.00 0.35 C ATOM 390 CG1 VAL A 25 -2.823 -13.634 -1.180 1.00 0.91 C ATOM 391 CG2 VAL A 25 -2.564 -12.955 -3.567 1.00 0.81 C ATOM 0 H VAL A 25 -0.368 -14.933 -4.017 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.287 -12.701 -2.399 1.00 0.29 H new ATOM 0 HB VAL A 25 -2.274 -14.927 -2.787 1.00 0.35 H new ATOM 0 HG11 VAL A 25 -3.894 -13.744 -1.348 1.00 0.91 H new ATOM 0 HG12 VAL A 25 -2.499 -14.347 -0.421 1.00 0.91 H new ATOM 0 HG13 VAL A 25 -2.612 -12.620 -0.839 1.00 0.91 H new ATOM 0 HG21 VAL A 25 -3.641 -13.071 -3.692 1.00 0.81 H new ATOM 0 HG22 VAL A 25 -2.341 -11.927 -3.282 1.00 0.81 H new ATOM 0 HG23 VAL A 25 -2.062 -13.189 -4.506 1.00 0.81 H new ATOM 401 N VAL A 26 0.385 -13.304 -0.090 1.00 0.24 N ATOM 402 CA VAL A 26 0.799 -13.614 1.273 1.00 0.27 C ATOM 403 C VAL A 26 0.248 -12.589 2.260 1.00 0.25 C ATOM 404 O VAL A 26 0.411 -11.384 2.076 1.00 0.25 O ATOM 405 CB VAL A 26 2.336 -13.665 1.396 1.00 0.31 C ATOM 406 CG1 VAL A 26 2.960 -12.387 0.861 1.00 0.77 C ATOM 407 CG2 VAL A 26 2.756 -13.909 2.840 1.00 1.03 C ATOM 0 H VAL A 26 0.555 -12.338 -0.371 1.00 0.24 H new ATOM 0 HA VAL A 26 0.394 -14.597 1.514 1.00 0.27 H new ATOM 0 HB VAL A 26 2.698 -14.498 0.794 1.00 0.31 H new ATOM 0 HG11 VAL A 26 4.044 -12.444 0.957 1.00 0.77 H new ATOM 0 HG12 VAL A 26 2.695 -12.264 -0.189 1.00 0.77 H new ATOM 0 HG13 VAL A 26 2.589 -11.535 1.431 1.00 0.77 H new ATOM 0 HG21 VAL A 26 3.844 -13.941 2.902 1.00 1.03 H new ATOM 0 HG22 VAL A 26 2.380 -13.102 3.469 1.00 1.03 H new ATOM 0 HG23 VAL A 26 2.345 -14.858 3.183 1.00 1.03 H new ATOM 417 N VAL A 27 -0.406 -13.077 3.308 1.00 0.29 N ATOM 418 CA VAL A 27 -0.980 -12.205 4.324 1.00 0.29 C ATOM 419 C VAL A 27 0.055 -11.845 5.387 1.00 0.31 C ATOM 420 O VAL A 27 0.875 -12.676 5.777 1.00 0.35 O ATOM 421 CB VAL A 27 -2.202 -12.856 5.002 1.00 0.35 C ATOM 422 CG1 VAL A 27 -1.805 -14.149 5.699 1.00 0.71 C ATOM 423 CG2 VAL A 27 -2.851 -11.889 5.982 1.00 0.91 C ATOM 0 H VAL A 27 -0.552 -14.073 3.476 1.00 0.29 H new ATOM 0 HA VAL A 27 -1.303 -11.296 3.816 1.00 0.29 H new ATOM 0 HB VAL A 27 -2.933 -13.098 4.230 1.00 0.35 H new ATOM 0 HG11 VAL A 27 -2.682 -14.592 6.171 1.00 0.71 H new ATOM 0 HG12 VAL A 27 -1.396 -14.846 4.968 1.00 0.71 H new ATOM 0 HG13 VAL A 27 -1.053 -13.937 6.459 1.00 0.71 H new ATOM 0 HG21 VAL A 27 -3.711 -12.368 6.450 1.00 0.91 H new ATOM 0 HG22 VAL A 27 -2.129 -11.610 6.750 1.00 0.91 H new ATOM 0 HG23 VAL A 27 -3.178 -10.996 5.449 1.00 0.91 H new ATOM 433 N LEU A 28 0.006 -10.601 5.850 1.00 0.32 N ATOM 434 CA LEU A 28 0.934 -10.124 6.867 1.00 0.36 C ATOM 435 C LEU A 28 0.244 -10.039 8.227 1.00 0.40 C ATOM 436 O LEU A 28 -0.981 -10.117 8.303 1.00 0.38 O ATOM 437 CB LEU A 28 1.496 -8.754 6.465 1.00 0.35 C ATOM 438 CG LEU A 28 2.276 -8.728 5.149 1.00 0.33 C ATOM 439 CD1 LEU A 28 2.959 -7.384 4.960 1.00 0.37 C ATOM 440 CD2 LEU A 28 3.300 -9.855 5.110 1.00 0.38 C ATOM 0 H LEU A 28 -0.669 -9.903 5.536 1.00 0.32 H new ATOM 0 HA LEU A 28 1.758 -10.833 6.946 1.00 0.36 H new ATOM 0 HB2 LEU A 28 0.669 -8.048 6.392 1.00 0.35 H new ATOM 0 HB3 LEU A 28 2.149 -8.399 7.262 1.00 0.35 H new ATOM 0 HG LEU A 28 1.571 -8.875 4.331 1.00 0.33 H new ATOM 0 HD11 LEU A 28 3.509 -7.384 4.019 1.00 0.37 H new ATOM 0 HD12 LEU A 28 2.208 -6.594 4.941 1.00 0.37 H new ATOM 0 HD13 LEU A 28 3.651 -7.208 5.784 1.00 0.37 H new ATOM 0 HD21 LEU A 28 3.844 -9.820 4.166 1.00 0.38 H new ATOM 0 HD22 LEU A 28 4.000 -9.739 5.937 1.00 0.38 H new ATOM 0 HD23 LEU A 28 2.789 -10.814 5.198 1.00 0.38 H new ATOM 452 N PRO A 29 1.015 -9.909 9.325 1.00 0.46 N ATOM 453 CA PRO A 29 0.445 -9.805 10.671 1.00 0.51 C ATOM 454 C PRO A 29 -0.648 -8.741 10.756 1.00 0.47 C ATOM 455 O PRO A 29 -1.659 -8.929 11.433 1.00 0.49 O ATOM 456 CB PRO A 29 1.645 -9.412 11.533 1.00 0.59 C ATOM 457 CG PRO A 29 2.822 -9.970 10.813 1.00 0.59 C ATOM 458 CD PRO A 29 2.493 -9.878 9.348 1.00 0.50 C ATOM 0 HA PRO A 29 -0.036 -10.731 10.985 1.00 0.51 H new ATOM 0 HB2 PRO A 29 1.721 -8.330 11.638 1.00 0.59 H new ATOM 0 HB3 PRO A 29 1.563 -9.825 12.539 1.00 0.59 H new ATOM 0 HG2 PRO A 29 3.725 -9.406 11.046 1.00 0.59 H new ATOM 0 HG3 PRO A 29 3.006 -11.003 11.108 1.00 0.59 H new ATOM 0 HD2 PRO A 29 2.882 -8.961 8.906 1.00 0.50 H new ATOM 0 HD3 PRO A 29 2.921 -10.709 8.787 1.00 0.50 H new ATOM 466 N SER A 30 -0.440 -7.627 10.056 1.00 0.43 N ATOM 467 CA SER A 30 -1.405 -6.533 10.053 1.00 0.41 C ATOM 468 C SER A 30 -2.554 -6.808 9.088 1.00 0.36 C ATOM 469 O SER A 30 -3.552 -6.086 9.080 1.00 0.36 O ATOM 470 CB SER A 30 -0.719 -5.216 9.691 1.00 0.43 C ATOM 471 OG SER A 30 -0.031 -4.679 10.807 1.00 1.14 O ATOM 0 H SER A 30 0.388 -7.460 9.484 1.00 0.43 H new ATOM 0 HA SER A 30 -1.819 -6.454 11.058 1.00 0.41 H new ATOM 0 HB2 SER A 30 -0.019 -5.380 8.872 1.00 0.43 H new ATOM 0 HB3 SER A 30 -1.461 -4.500 9.338 1.00 0.43 H new ATOM 0 HG SER A 30 0.265 -3.768 10.601 1.00 1.14 H new ATOM 477 N GLY A 31 -2.415 -7.853 8.278 1.00 0.34 N ATOM 478 CA GLY A 31 -3.466 -8.197 7.339 1.00 0.31 C ATOM 479 C GLY A 31 -3.169 -7.768 5.917 1.00 0.27 C ATOM 480 O GLY A 31 -4.067 -7.750 5.074 1.00 0.30 O ATOM 0 H GLY A 31 -1.599 -8.464 8.255 1.00 0.34 H new ATOM 0 HA2 GLY A 31 -3.622 -9.276 7.360 1.00 0.31 H new ATOM 0 HA3 GLY A 31 -4.398 -7.734 7.663 1.00 0.31 H new ATOM 484 N LEU A 32 -1.917 -7.421 5.640 1.00 0.25 N ATOM 485 CA LEU A 32 -1.539 -6.979 4.302 1.00 0.25 C ATOM 486 C LEU A 32 -1.262 -8.148 3.368 1.00 0.22 C ATOM 487 O LEU A 32 -0.579 -9.107 3.725 1.00 0.23 O ATOM 488 CB LEU A 32 -0.305 -6.073 4.346 1.00 0.35 C ATOM 489 CG LEU A 32 -0.538 -4.612 4.767 1.00 0.44 C ATOM 490 CD1 LEU A 32 0.293 -3.686 3.894 1.00 1.19 C ATOM 491 CD2 LEU A 32 -2.009 -4.220 4.693 1.00 1.35 C ATOM 0 H LEU A 32 -1.153 -7.436 6.316 1.00 0.25 H new ATOM 0 HA LEU A 32 -2.390 -6.419 3.914 1.00 0.25 H new ATOM 0 HB2 LEU A 32 0.417 -6.514 5.033 1.00 0.35 H new ATOM 0 HB3 LEU A 32 0.154 -6.074 3.357 1.00 0.35 H new ATOM 0 HG LEU A 32 -0.228 -4.515 5.808 1.00 0.44 H new ATOM 0 HD11 LEU A 32 0.124 -2.652 4.196 1.00 1.19 H new ATOM 0 HD12 LEU A 32 1.349 -3.930 4.008 1.00 1.19 H new ATOM 0 HD13 LEU A 32 0.002 -3.811 2.851 1.00 1.19 H new ATOM 0 HD21 LEU A 32 -2.124 -3.180 4.999 1.00 1.35 H new ATOM 0 HD22 LEU A 32 -2.366 -4.339 3.670 1.00 1.35 H new ATOM 0 HD23 LEU A 32 -2.590 -4.860 5.357 1.00 1.35 H new ATOM 503 N GLN A 33 -1.804 -8.043 2.165 1.00 0.23 N ATOM 504 CA GLN A 33 -1.616 -9.047 1.131 1.00 0.22 C ATOM 505 C GLN A 33 -1.025 -8.373 -0.100 1.00 0.21 C ATOM 506 O GLN A 33 -1.373 -7.234 -0.411 1.00 0.21 O ATOM 507 CB GLN A 33 -2.946 -9.719 0.788 1.00 0.26 C ATOM 508 CG GLN A 33 -3.554 -10.491 1.947 1.00 0.33 C ATOM 509 CD GLN A 33 -4.912 -11.070 1.605 1.00 0.98 C ATOM 510 OE1 GLN A 33 -5.017 -12.206 1.140 1.00 1.75 O ATOM 511 NE2 GLN A 33 -5.963 -10.289 1.830 1.00 1.69 N ATOM 0 H GLN A 33 -2.388 -7.257 1.878 1.00 0.23 H new ATOM 0 HA GLN A 33 -0.936 -9.820 1.489 1.00 0.22 H new ATOM 0 HB2 GLN A 33 -3.653 -8.958 0.458 1.00 0.26 H new ATOM 0 HB3 GLN A 33 -2.795 -10.399 -0.051 1.00 0.26 H new ATOM 0 HG2 GLN A 33 -2.880 -11.298 2.236 1.00 0.33 H new ATOM 0 HG3 GLN A 33 -3.650 -9.831 2.809 1.00 0.33 H new ATOM 0 HE21 GLN A 33 -5.830 -9.354 2.216 1.00 1.69 H new ATOM 0 HE22 GLN A 33 -6.902 -10.624 1.616 1.00 1.69 H new ATOM 520 N TYR A 34 -0.130 -9.059 -0.798 1.00 0.20 N ATOM 521 CA TYR A 34 0.507 -8.465 -1.968 1.00 0.19 C ATOM 522 C TYR A 34 1.062 -9.506 -2.930 1.00 0.18 C ATOM 523 O TYR A 34 1.036 -10.707 -2.660 1.00 0.19 O ATOM 524 CB TYR A 34 1.636 -7.541 -1.522 1.00 0.19 C ATOM 525 CG TYR A 34 2.694 -8.236 -0.698 1.00 0.19 C ATOM 526 CD1 TYR A 34 2.551 -8.373 0.675 1.00 0.31 C ATOM 527 CD2 TYR A 34 3.837 -8.759 -1.293 1.00 0.25 C ATOM 528 CE1 TYR A 34 3.512 -9.007 1.431 1.00 0.32 C ATOM 529 CE2 TYR A 34 4.803 -9.395 -0.542 1.00 0.30 C ATOM 530 CZ TYR A 34 4.637 -9.518 0.821 1.00 0.26 C ATOM 531 OH TYR A 34 5.596 -10.154 1.575 1.00 0.31 O ATOM 0 H TYR A 34 0.168 -10.010 -0.581 1.00 0.20 H new ATOM 0 HA TYR A 34 -0.262 -7.906 -2.501 1.00 0.19 H new ATOM 0 HB2 TYR A 34 2.104 -7.101 -2.403 1.00 0.19 H new ATOM 0 HB3 TYR A 34 1.215 -6.720 -0.941 1.00 0.19 H new ATOM 0 HD1 TYR A 34 1.671 -7.976 1.159 1.00 0.31 H new ATOM 0 HD2 TYR A 34 3.970 -8.666 -2.361 1.00 0.25 H new ATOM 0 HE1 TYR A 34 3.384 -9.103 2.499 1.00 0.32 H new ATOM 0 HE2 TYR A 34 5.685 -9.795 -1.019 1.00 0.30 H new ATOM 0 HH TYR A 34 6.436 -9.652 1.526 1.00 0.31 H new ATOM 541 N LYS A 35 1.567 -9.016 -4.058 1.00 0.18 N ATOM 542 CA LYS A 35 2.164 -9.869 -5.077 1.00 0.20 C ATOM 543 C LYS A 35 3.607 -9.428 -5.324 1.00 0.18 C ATOM 544 O LYS A 35 3.861 -8.294 -5.731 1.00 0.19 O ATOM 545 CB LYS A 35 1.349 -9.800 -6.373 1.00 0.27 C ATOM 546 CG LYS A 35 1.515 -11.019 -7.268 1.00 0.35 C ATOM 547 CD LYS A 35 2.764 -10.922 -8.132 1.00 0.99 C ATOM 548 CE LYS A 35 2.628 -9.838 -9.190 1.00 1.58 C ATOM 549 NZ LYS A 35 1.467 -10.085 -10.089 1.00 2.15 N ATOM 0 H LYS A 35 1.574 -8.023 -4.290 1.00 0.18 H new ATOM 0 HA LYS A 35 2.162 -10.903 -4.731 1.00 0.20 H new ATOM 0 HB2 LYS A 35 0.294 -9.686 -6.122 1.00 0.27 H new ATOM 0 HB3 LYS A 35 1.643 -8.910 -6.929 1.00 0.27 H new ATOM 0 HG2 LYS A 35 1.568 -11.917 -6.652 1.00 0.35 H new ATOM 0 HG3 LYS A 35 0.638 -11.122 -7.907 1.00 0.35 H new ATOM 0 HD2 LYS A 35 3.628 -10.710 -7.502 1.00 0.99 H new ATOM 0 HD3 LYS A 35 2.949 -11.882 -8.615 1.00 0.99 H new ATOM 0 HE2 LYS A 35 2.512 -8.869 -8.705 1.00 1.58 H new ATOM 0 HE3 LYS A 35 3.542 -9.791 -9.782 1.00 1.58 H new ATOM 0 HZ1 LYS A 35 1.584 -9.537 -10.965 1.00 2.15 H new ATOM 0 HZ2 LYS A 35 1.415 -11.098 -10.318 1.00 2.15 H new ATOM 0 HZ3 LYS A 35 0.590 -9.792 -9.612 1.00 2.15 H new ATOM 563 N VAL A 36 4.545 -10.337 -5.070 1.00 0.19 N ATOM 564 CA VAL A 36 5.972 -10.052 -5.212 1.00 0.19 C ATOM 565 C VAL A 36 6.421 -9.931 -6.665 1.00 0.22 C ATOM 566 O VAL A 36 6.199 -10.829 -7.477 1.00 0.28 O ATOM 567 CB VAL A 36 6.819 -11.144 -4.530 1.00 0.25 C ATOM 568 CG1 VAL A 36 8.301 -10.814 -4.619 1.00 0.26 C ATOM 569 CG2 VAL A 36 6.389 -11.323 -3.082 1.00 0.30 C ATOM 0 H VAL A 36 4.340 -11.287 -4.761 1.00 0.19 H new ATOM 0 HA VAL A 36 6.127 -9.087 -4.729 1.00 0.19 H new ATOM 0 HB VAL A 36 6.654 -12.085 -5.055 1.00 0.25 H new ATOM 0 HG11 VAL A 36 8.879 -11.599 -4.131 1.00 0.26 H new ATOM 0 HG12 VAL A 36 8.596 -10.744 -5.666 1.00 0.26 H new ATOM 0 HG13 VAL A 36 8.492 -9.862 -4.124 1.00 0.26 H new ATOM 0 HG21 VAL A 36 6.997 -12.098 -2.615 1.00 0.30 H new ATOM 0 HG22 VAL A 36 6.522 -10.384 -2.544 1.00 0.30 H new ATOM 0 HG23 VAL A 36 5.340 -11.616 -3.048 1.00 0.30 H new ATOM 579 N ILE A 37 7.055 -8.801 -6.973 1.00 0.22 N ATOM 580 CA ILE A 37 7.583 -8.550 -8.310 1.00 0.26 C ATOM 581 C ILE A 37 9.081 -8.853 -8.349 1.00 0.25 C ATOM 582 O ILE A 37 9.514 -9.786 -9.026 1.00 0.30 O ATOM 583 CB ILE A 37 7.348 -7.090 -8.753 1.00 0.29 C ATOM 584 CG1 ILE A 37 5.855 -6.765 -8.761 1.00 0.31 C ATOM 585 CG2 ILE A 37 7.950 -6.842 -10.125 1.00 0.37 C ATOM 586 CD1 ILE A 37 5.356 -6.194 -7.455 1.00 0.65 C ATOM 0 H ILE A 37 7.215 -8.042 -6.310 1.00 0.22 H new ATOM 0 HA ILE A 37 7.052 -9.207 -8.999 1.00 0.26 H new ATOM 0 HB ILE A 37 7.842 -6.433 -8.037 1.00 0.29 H new ATOM 0 HG12 ILE A 37 5.650 -6.054 -9.561 1.00 0.31 H new ATOM 0 HG13 ILE A 37 5.295 -7.672 -8.990 1.00 0.31 H new ATOM 0 HG21 ILE A 37 7.773 -5.807 -10.418 1.00 0.37 H new ATOM 0 HG22 ILE A 37 9.023 -7.031 -10.091 1.00 0.37 H new ATOM 0 HG23 ILE A 37 7.487 -7.509 -10.852 1.00 0.37 H new ATOM 0 HD11 ILE A 37 4.289 -5.987 -7.533 1.00 0.65 H new ATOM 0 HD12 ILE A 37 5.529 -6.913 -6.654 1.00 0.65 H new ATOM 0 HD13 ILE A 37 5.890 -5.270 -7.235 1.00 0.65 H new ATOM 598 N ASN A 38 9.868 -8.059 -7.619 1.00 0.21 N ATOM 599 CA ASN A 38 11.313 -8.256 -7.558 1.00 0.22 C ATOM 600 C ASN A 38 11.833 -7.910 -6.165 1.00 0.29 C ATOM 601 O ASN A 38 12.187 -6.764 -5.894 1.00 0.44 O ATOM 602 CB ASN A 38 12.013 -7.396 -8.613 1.00 0.31 C ATOM 603 CG ASN A 38 13.521 -7.544 -8.572 1.00 0.40 C ATOM 604 OD1 ASN A 38 14.178 -6.689 -7.798 1.00 1.03 O flip ATOM 605 ND2 ASN A 38 14.088 -8.415 -9.231 1.00 0.56 N flip ATOM 0 H ASN A 38 9.526 -7.275 -7.063 1.00 0.21 H new ATOM 0 HA ASN A 38 11.531 -9.304 -7.764 1.00 0.22 H new ATOM 0 HB2 ASN A 38 11.650 -7.673 -9.603 1.00 0.31 H new ATOM 0 HB3 ASN A 38 11.749 -6.350 -8.458 1.00 0.31 H new ATOM 0 HD21 ASN A 38 13.542 -9.051 -9.813 1.00 0.56 H new ATOM 0 HD22 ASN A 38 15.104 -8.501 -9.196 1.00 0.56 H new ATOM 612 N SER A 39 11.876 -8.908 -5.284 1.00 0.28 N ATOM 613 CA SER A 39 12.333 -8.701 -3.911 1.00 0.37 C ATOM 614 C SER A 39 13.733 -9.265 -3.683 1.00 0.29 C ATOM 615 O SER A 39 14.109 -10.281 -4.268 1.00 0.33 O ATOM 616 CB SER A 39 11.355 -9.349 -2.932 1.00 0.58 C ATOM 617 OG SER A 39 11.311 -10.754 -3.110 1.00 1.50 O ATOM 0 H SER A 39 11.600 -9.867 -5.496 1.00 0.28 H new ATOM 0 HA SER A 39 12.374 -7.625 -3.739 1.00 0.37 H new ATOM 0 HB2 SER A 39 11.653 -9.118 -1.909 1.00 0.58 H new ATOM 0 HB3 SER A 39 10.359 -8.930 -3.077 1.00 0.58 H new ATOM 0 HG SER A 39 10.679 -11.145 -2.471 1.00 1.50 H new ATOM 623 N GLY A 40 14.499 -8.590 -2.827 1.00 0.34 N ATOM 624 CA GLY A 40 15.847 -9.035 -2.516 1.00 0.36 C ATOM 625 C GLY A 40 16.892 -8.414 -3.419 1.00 0.50 C ATOM 626 O GLY A 40 17.158 -8.924 -4.507 1.00 1.09 O ATOM 0 H GLY A 40 14.208 -7.741 -2.343 1.00 0.34 H new ATOM 0 HA2 GLY A 40 16.076 -8.788 -1.479 1.00 0.36 H new ATOM 0 HA3 GLY A 40 15.896 -10.120 -2.604 1.00 0.36 H new ATOM 630 N ASN A 41 17.490 -7.314 -2.968 1.00 0.42 N ATOM 631 CA ASN A 41 18.510 -6.630 -3.753 1.00 0.47 C ATOM 632 C ASN A 41 19.521 -5.903 -2.861 1.00 0.37 C ATOM 633 O ASN A 41 20.607 -6.419 -2.595 1.00 0.36 O ATOM 634 CB ASN A 41 17.858 -5.645 -4.732 1.00 0.60 C ATOM 635 CG ASN A 41 16.924 -6.330 -5.709 1.00 0.82 C ATOM 636 OD1 ASN A 41 17.336 -6.755 -6.788 1.00 1.70 O ATOM 637 ND2 ASN A 41 15.654 -6.438 -5.333 1.00 0.66 N ATOM 0 H ASN A 41 17.286 -6.880 -2.068 1.00 0.42 H new ATOM 0 HA ASN A 41 19.054 -7.387 -4.318 1.00 0.47 H new ATOM 0 HB2 ASN A 41 17.303 -4.893 -4.170 1.00 0.60 H new ATOM 0 HB3 ASN A 41 18.636 -5.120 -5.286 1.00 0.60 H new ATOM 0 HD21 ASN A 41 14.976 -6.888 -5.948 1.00 0.66 H new ATOM 0 HD22 ASN A 41 15.357 -6.071 -4.429 1.00 0.66 H new ATOM 644 N GLY A 42 19.160 -4.706 -2.407 1.00 0.35 N ATOM 645 CA GLY A 42 20.054 -3.918 -1.575 1.00 0.33 C ATOM 646 C GLY A 42 19.884 -4.153 -0.083 1.00 0.33 C ATOM 647 O GLY A 42 19.032 -4.929 0.350 1.00 0.34 O ATOM 0 H GLY A 42 18.261 -4.266 -2.601 1.00 0.35 H new ATOM 0 HA2 GLY A 42 21.084 -4.144 -1.852 1.00 0.33 H new ATOM 0 HA3 GLY A 42 19.892 -2.861 -1.786 1.00 0.33 H new ATOM 651 N VAL A 43 20.716 -3.462 0.693 1.00 0.32 N ATOM 652 CA VAL A 43 20.708 -3.528 2.141 1.00 0.32 C ATOM 653 C VAL A 43 19.773 -2.467 2.715 1.00 0.29 C ATOM 654 O VAL A 43 19.239 -1.654 1.961 1.00 0.28 O ATOM 655 CB VAL A 43 22.119 -3.314 2.699 1.00 0.36 C ATOM 656 CG1 VAL A 43 23.049 -4.435 2.260 1.00 1.36 C ATOM 657 CG2 VAL A 43 22.654 -1.963 2.266 1.00 1.42 C ATOM 0 H VAL A 43 21.425 -2.831 0.320 1.00 0.32 H new ATOM 0 HA VAL A 43 20.355 -4.518 2.432 1.00 0.32 H new ATOM 0 HB VAL A 43 22.069 -3.331 3.788 1.00 0.36 H new ATOM 0 HG11 VAL A 43 24.045 -4.262 2.668 1.00 1.36 H new ATOM 0 HG12 VAL A 43 22.668 -5.388 2.626 1.00 1.36 H new ATOM 0 HG13 VAL A 43 23.102 -4.459 1.172 1.00 1.36 H new ATOM 0 HG21 VAL A 43 23.657 -1.823 2.669 1.00 1.42 H new ATOM 0 HG22 VAL A 43 22.690 -1.918 1.178 1.00 1.42 H new ATOM 0 HG23 VAL A 43 22.000 -1.176 2.640 1.00 1.42 H new ATOM 667 N LYS A 44 19.617 -2.454 4.045 1.00 0.29 N ATOM 668 CA LYS A 44 18.737 -1.487 4.722 1.00 0.28 C ATOM 669 C LYS A 44 18.439 -1.891 6.168 1.00 0.29 C ATOM 670 O LYS A 44 18.526 -3.063 6.540 1.00 0.32 O ATOM 671 CB LYS A 44 17.391 -1.359 3.980 1.00 0.29 C ATOM 672 CG LYS A 44 16.374 -2.437 4.337 1.00 0.39 C ATOM 673 CD LYS A 44 16.881 -3.831 4.001 1.00 1.17 C ATOM 674 CE LYS A 44 15.932 -4.904 4.511 1.00 1.63 C ATOM 675 NZ LYS A 44 15.731 -4.813 5.985 1.00 2.18 N ATOM 0 H LYS A 44 20.088 -3.102 4.676 1.00 0.29 H new ATOM 0 HA LYS A 44 19.270 -0.536 4.718 1.00 0.28 H new ATOM 0 HB2 LYS A 44 16.960 -0.382 4.199 1.00 0.29 H new ATOM 0 HB3 LYS A 44 17.577 -1.392 2.906 1.00 0.29 H new ATOM 0 HG2 LYS A 44 16.145 -2.381 5.401 1.00 0.39 H new ATOM 0 HG3 LYS A 44 15.444 -2.250 3.800 1.00 0.39 H new ATOM 0 HD2 LYS A 44 16.996 -3.928 2.921 1.00 1.17 H new ATOM 0 HD3 LYS A 44 17.868 -3.977 4.441 1.00 1.17 H new ATOM 0 HE2 LYS A 44 14.970 -4.808 4.007 1.00 1.63 H new ATOM 0 HE3 LYS A 44 16.327 -5.888 4.259 1.00 1.63 H new ATOM 0 HZ1 LYS A 44 15.657 -5.770 6.385 1.00 2.18 H new ATOM 0 HZ2 LYS A 44 16.539 -4.319 6.416 1.00 2.18 H new ATOM 0 HZ3 LYS A 44 14.857 -4.286 6.184 1.00 2.18 H new ATOM 689 N PRO A 45 18.080 -0.886 6.995 1.00 0.29 N ATOM 690 CA PRO A 45 17.743 -1.050 8.412 1.00 0.30 C ATOM 691 C PRO A 45 16.340 -1.604 8.629 1.00 0.30 C ATOM 692 O PRO A 45 15.562 -1.757 7.688 1.00 0.29 O ATOM 693 CB PRO A 45 17.841 0.371 8.995 1.00 0.27 C ATOM 694 CG PRO A 45 18.369 1.229 7.896 1.00 0.30 C ATOM 695 CD PRO A 45 18.010 0.533 6.618 1.00 0.30 C ATOM 0 HA PRO A 45 18.412 -1.767 8.888 1.00 0.30 H new ATOM 0 HB2 PRO A 45 16.866 0.723 9.331 1.00 0.27 H new ATOM 0 HB3 PRO A 45 18.503 0.393 9.860 1.00 0.27 H new ATOM 0 HG2 PRO A 45 17.929 2.226 7.934 1.00 0.30 H new ATOM 0 HG3 PRO A 45 19.448 1.353 7.983 1.00 0.30 H new ATOM 0 HD2 PRO A 45 17.015 0.811 6.270 1.00 0.30 H new ATOM 0 HD3 PRO A 45 18.707 0.774 5.815 1.00 0.30 H new ATOM 703 N GLY A 46 16.033 -1.898 9.886 1.00 0.32 N ATOM 704 CA GLY A 46 14.735 -2.430 10.247 1.00 0.35 C ATOM 705 C GLY A 46 13.648 -1.398 10.039 1.00 0.33 C ATOM 706 O GLY A 46 13.907 -0.352 9.458 1.00 0.28 O ATOM 0 H GLY A 46 16.671 -1.775 10.672 1.00 0.32 H new ATOM 0 HA2 GLY A 46 14.521 -3.314 9.647 1.00 0.35 H new ATOM 0 HA3 GLY A 46 14.745 -2.747 11.290 1.00 0.35 H new ATOM 710 N LYS A 47 12.428 -1.710 10.471 1.00 0.37 N ATOM 711 CA LYS A 47 11.273 -0.818 10.289 1.00 0.37 C ATOM 712 C LYS A 47 11.589 0.664 10.551 1.00 0.34 C ATOM 713 O LYS A 47 10.796 1.535 10.198 1.00 0.35 O ATOM 714 CB LYS A 47 10.133 -1.262 11.207 1.00 0.44 C ATOM 715 CG LYS A 47 10.461 -1.135 12.687 1.00 0.99 C ATOM 716 CD LYS A 47 9.367 -1.732 13.559 1.00 0.94 C ATOM 717 CE LYS A 47 9.310 -3.246 13.426 1.00 1.85 C ATOM 718 NZ LYS A 47 10.600 -3.887 13.804 1.00 2.35 N ATOM 0 H LYS A 47 12.208 -2.581 10.954 1.00 0.37 H new ATOM 0 HA LYS A 47 10.985 -0.896 9.241 1.00 0.37 H new ATOM 0 HB2 LYS A 47 9.247 -0.666 10.987 1.00 0.44 H new ATOM 0 HB3 LYS A 47 9.882 -2.300 10.986 1.00 0.44 H new ATOM 0 HG2 LYS A 47 11.406 -1.637 12.895 1.00 0.99 H new ATOM 0 HG3 LYS A 47 10.596 -0.084 12.941 1.00 0.99 H new ATOM 0 HD2 LYS A 47 9.544 -1.464 14.601 1.00 0.94 H new ATOM 0 HD3 LYS A 47 8.404 -1.305 13.279 1.00 0.94 H new ATOM 0 HE2 LYS A 47 8.512 -3.636 14.058 1.00 1.85 H new ATOM 0 HE3 LYS A 47 9.061 -3.511 12.398 1.00 1.85 H new ATOM 0 HZ1 LYS A 47 10.452 -4.907 13.946 1.00 2.35 H new ATOM 0 HZ2 LYS A 47 11.296 -3.740 13.045 1.00 2.35 H new ATOM 0 HZ3 LYS A 47 10.954 -3.462 14.685 1.00 2.35 H new ATOM 732 N SER A 48 12.728 0.957 11.167 1.00 0.31 N ATOM 733 CA SER A 48 13.111 2.345 11.430 1.00 0.31 C ATOM 734 C SER A 48 13.848 2.936 10.225 1.00 0.27 C ATOM 735 O SER A 48 14.375 4.047 10.285 1.00 0.29 O ATOM 736 CB SER A 48 13.991 2.430 12.679 1.00 0.32 C ATOM 737 OG SER A 48 15.187 1.686 12.511 1.00 1.45 O ATOM 0 H SER A 48 13.399 0.261 11.492 1.00 0.31 H new ATOM 0 HA SER A 48 12.203 2.924 11.602 1.00 0.31 H new ATOM 0 HB2 SER A 48 14.233 3.472 12.887 1.00 0.32 H new ATOM 0 HB3 SER A 48 13.442 2.052 13.541 1.00 0.32 H new ATOM 0 HG SER A 48 15.733 1.757 13.322 1.00 1.45 H new ATOM 743 N ASP A 49 13.874 2.174 9.133 1.00 0.25 N ATOM 744 CA ASP A 49 14.549 2.578 7.900 1.00 0.24 C ATOM 745 C ASP A 49 13.795 3.692 7.173 1.00 0.23 C ATOM 746 O ASP A 49 12.588 3.858 7.342 1.00 0.29 O ATOM 747 CB ASP A 49 14.683 1.373 6.969 1.00 0.26 C ATOM 748 CG ASP A 49 13.341 0.868 6.477 1.00 0.74 C ATOM 749 OD1 ASP A 49 12.846 1.391 5.456 1.00 0.53 O ATOM 750 OD2 ASP A 49 12.783 -0.050 7.113 1.00 1.73 O ATOM 0 H ASP A 49 13.428 1.259 9.078 1.00 0.25 H new ATOM 0 HA ASP A 49 15.533 2.959 8.174 1.00 0.24 H new ATOM 0 HB2 ASP A 49 15.301 1.646 6.113 1.00 0.26 H new ATOM 0 HB3 ASP A 49 15.200 0.569 7.493 1.00 0.26 H new ATOM 755 N THR A 50 14.530 4.447 6.360 1.00 0.26 N ATOM 756 CA THR A 50 13.963 5.532 5.572 1.00 0.28 C ATOM 757 C THR A 50 14.351 5.324 4.115 1.00 0.33 C ATOM 758 O THR A 50 15.537 5.296 3.791 1.00 0.44 O ATOM 759 CB THR A 50 14.480 6.906 6.041 1.00 0.36 C ATOM 760 OG1 THR A 50 14.302 7.039 7.456 1.00 0.39 O ATOM 761 CG2 THR A 50 13.749 8.034 5.328 1.00 0.42 C ATOM 0 H THR A 50 15.534 4.322 6.231 1.00 0.26 H new ATOM 0 HA THR A 50 12.880 5.521 5.695 1.00 0.28 H new ATOM 0 HB THR A 50 15.541 6.971 5.798 1.00 0.36 H new ATOM 0 HG1 THR A 50 14.634 7.914 7.747 1.00 0.39 H new ATOM 0 HG21 THR A 50 14.132 8.993 5.676 1.00 0.42 H new ATOM 0 HG22 THR A 50 13.908 7.949 4.253 1.00 0.42 H new ATOM 0 HG23 THR A 50 12.682 7.969 5.543 1.00 0.42 H new ATOM 769 N VAL A 51 13.370 5.175 3.235 1.00 0.29 N ATOM 770 CA VAL A 51 13.669 4.934 1.831 1.00 0.37 C ATOM 771 C VAL A 51 12.930 5.891 0.911 1.00 0.30 C ATOM 772 O VAL A 51 11.911 6.474 1.282 1.00 0.29 O ATOM 773 CB VAL A 51 13.317 3.488 1.425 1.00 0.51 C ATOM 774 CG1 VAL A 51 13.993 2.491 2.354 1.00 0.65 C ATOM 775 CG2 VAL A 51 11.808 3.282 1.421 1.00 0.53 C ATOM 0 H VAL A 51 12.377 5.216 3.463 1.00 0.29 H new ATOM 0 HA VAL A 51 14.741 5.099 1.719 1.00 0.37 H new ATOM 0 HB VAL A 51 13.686 3.318 0.414 1.00 0.51 H new ATOM 0 HG11 VAL A 51 13.732 1.477 2.051 1.00 0.65 H new ATOM 0 HG12 VAL A 51 15.074 2.619 2.301 1.00 0.65 H new ATOM 0 HG13 VAL A 51 13.658 2.662 3.377 1.00 0.65 H new ATOM 0 HG21 VAL A 51 11.582 2.256 1.132 1.00 0.53 H new ATOM 0 HG22 VAL A 51 11.412 3.474 2.418 1.00 0.53 H new ATOM 0 HG23 VAL A 51 11.349 3.969 0.710 1.00 0.53 H new ATOM 785 N THR A 52 13.462 6.044 -0.295 1.00 0.27 N ATOM 786 CA THR A 52 12.854 6.900 -1.297 1.00 0.23 C ATOM 787 C THR A 52 12.364 6.044 -2.451 1.00 0.19 C ATOM 788 O THR A 52 13.148 5.339 -3.086 1.00 0.17 O ATOM 789 CB THR A 52 13.847 7.950 -1.828 1.00 0.26 C ATOM 790 OG1 THR A 52 14.306 8.781 -0.755 1.00 0.32 O ATOM 791 CG2 THR A 52 13.199 8.814 -2.901 1.00 0.26 C ATOM 0 H THR A 52 14.318 5.582 -0.601 1.00 0.27 H new ATOM 0 HA THR A 52 12.022 7.429 -0.832 1.00 0.23 H new ATOM 0 HB THR A 52 14.695 7.424 -2.267 1.00 0.26 H new ATOM 0 HG1 THR A 52 14.938 9.444 -1.102 1.00 0.32 H new ATOM 0 HG21 THR A 52 13.920 9.548 -3.261 1.00 0.26 H new ATOM 0 HG22 THR A 52 12.878 8.184 -3.730 1.00 0.26 H new ATOM 0 HG23 THR A 52 12.335 9.329 -2.481 1.00 0.26 H new ATOM 799 N VAL A 53 11.070 6.107 -2.722 1.00 0.19 N ATOM 800 CA VAL A 53 10.486 5.314 -3.789 1.00 0.18 C ATOM 801 C VAL A 53 9.453 6.107 -4.575 1.00 0.19 C ATOM 802 O VAL A 53 9.058 7.201 -4.181 1.00 0.23 O ATOM 803 CB VAL A 53 9.813 4.044 -3.232 1.00 0.20 C ATOM 804 CG1 VAL A 53 10.756 3.299 -2.303 1.00 0.22 C ATOM 805 CG2 VAL A 53 8.516 4.389 -2.516 1.00 0.24 C ATOM 0 H VAL A 53 10.407 6.697 -2.219 1.00 0.19 H new ATOM 0 HA VAL A 53 11.304 5.035 -4.453 1.00 0.18 H new ATOM 0 HB VAL A 53 9.574 3.391 -4.072 1.00 0.20 H new ATOM 0 HG11 VAL A 53 10.261 2.406 -1.921 1.00 0.22 H new ATOM 0 HG12 VAL A 53 11.653 3.010 -2.850 1.00 0.22 H new ATOM 0 HG13 VAL A 53 11.032 3.945 -1.470 1.00 0.22 H new ATOM 0 HG21 VAL A 53 8.059 3.477 -2.131 1.00 0.24 H new ATOM 0 HG22 VAL A 53 8.726 5.066 -1.688 1.00 0.24 H new ATOM 0 HG23 VAL A 53 7.832 4.871 -3.214 1.00 0.24 H new ATOM 815 N GLU A 54 9.022 5.532 -5.686 1.00 0.18 N ATOM 816 CA GLU A 54 8.017 6.155 -6.536 1.00 0.20 C ATOM 817 C GLU A 54 6.850 5.195 -6.714 1.00 0.20 C ATOM 818 O GLU A 54 7.055 4.019 -7.015 1.00 0.21 O ATOM 819 CB GLU A 54 8.624 6.518 -7.893 1.00 0.24 C ATOM 820 CG GLU A 54 7.704 7.337 -8.781 1.00 1.02 C ATOM 821 CD GLU A 54 8.360 7.724 -10.092 1.00 1.76 C ATOM 822 OE1 GLU A 54 9.018 8.785 -10.136 1.00 2.40 O ATOM 823 OE2 GLU A 54 8.216 6.966 -11.074 1.00 2.09 O ATOM 0 H GLU A 54 9.354 4.629 -6.023 1.00 0.18 H new ATOM 0 HA GLU A 54 7.660 7.072 -6.067 1.00 0.20 H new ATOM 0 HB2 GLU A 54 9.546 7.076 -7.730 1.00 0.24 H new ATOM 0 HB3 GLU A 54 8.895 5.601 -8.416 1.00 0.24 H new ATOM 0 HG2 GLU A 54 6.798 6.766 -8.986 1.00 1.02 H new ATOM 0 HG3 GLU A 54 7.399 8.239 -8.250 1.00 1.02 H new ATOM 830 N TYR A 55 5.626 5.685 -6.538 1.00 0.19 N ATOM 831 CA TYR A 55 4.465 4.816 -6.660 1.00 0.20 C ATOM 832 C TYR A 55 3.274 5.522 -7.283 1.00 0.19 C ATOM 833 O TYR A 55 3.225 6.749 -7.375 1.00 0.21 O ATOM 834 CB TYR A 55 4.064 4.268 -5.285 1.00 0.21 C ATOM 835 CG TYR A 55 3.319 5.261 -4.414 1.00 0.19 C ATOM 836 CD1 TYR A 55 3.989 6.297 -3.778 1.00 0.22 C ATOM 837 CD2 TYR A 55 1.943 5.156 -4.227 1.00 0.20 C ATOM 838 CE1 TYR A 55 3.314 7.201 -2.980 1.00 0.24 C ATOM 839 CE2 TYR A 55 1.258 6.059 -3.430 1.00 0.21 C ATOM 840 CZ TYR A 55 1.949 7.078 -2.809 1.00 0.22 C ATOM 841 OH TYR A 55 1.275 7.979 -2.016 1.00 0.26 O ATOM 0 H TYR A 55 5.417 6.658 -6.315 1.00 0.19 H new ATOM 0 HA TYR A 55 4.753 3.999 -7.321 1.00 0.20 H new ATOM 0 HB2 TYR A 55 3.440 3.385 -5.426 1.00 0.21 H new ATOM 0 HB3 TYR A 55 4.962 3.943 -4.760 1.00 0.21 H new ATOM 0 HD1 TYR A 55 5.056 6.398 -3.909 1.00 0.22 H new ATOM 0 HD2 TYR A 55 1.401 4.357 -4.711 1.00 0.20 H new ATOM 0 HE1 TYR A 55 3.852 8.000 -2.492 1.00 0.24 H new ATOM 0 HE2 TYR A 55 0.190 5.965 -3.296 1.00 0.21 H new ATOM 0 HH TYR A 55 0.322 7.753 -2.001 1.00 0.26 H new ATOM 851 N THR A 56 2.318 4.712 -7.706 1.00 0.18 N ATOM 852 CA THR A 56 1.085 5.200 -8.295 1.00 0.17 C ATOM 853 C THR A 56 -0.084 4.644 -7.500 1.00 0.14 C ATOM 854 O THR A 56 -0.324 3.437 -7.506 1.00 0.15 O ATOM 855 CB THR A 56 0.946 4.767 -9.767 1.00 0.21 C ATOM 856 OG1 THR A 56 2.106 5.162 -10.508 1.00 0.26 O ATOM 857 CG2 THR A 56 -0.295 5.382 -10.397 1.00 0.21 C ATOM 0 H THR A 56 2.376 3.695 -7.650 1.00 0.18 H new ATOM 0 HA THR A 56 1.096 6.290 -8.266 1.00 0.17 H new ATOM 0 HB THR A 56 0.850 3.682 -9.794 1.00 0.21 H new ATOM 0 HG1 THR A 56 1.905 5.971 -11.023 1.00 0.26 H new ATOM 0 HG21 THR A 56 -0.372 5.062 -11.436 1.00 0.21 H new ATOM 0 HG22 THR A 56 -1.180 5.056 -9.850 1.00 0.21 H new ATOM 0 HG23 THR A 56 -0.223 6.469 -10.356 1.00 0.21 H new ATOM 865 N GLY A 57 -0.812 5.518 -6.818 1.00 0.12 N ATOM 866 CA GLY A 57 -1.924 5.054 -6.017 1.00 0.11 C ATOM 867 C GLY A 57 -3.259 5.453 -6.590 1.00 0.10 C ATOM 868 O GLY A 57 -3.407 6.537 -7.152 1.00 0.10 O ATOM 0 H GLY A 57 -0.655 6.526 -6.805 1.00 0.12 H new ATOM 0 HA2 GLY A 57 -1.879 3.968 -5.934 1.00 0.11 H new ATOM 0 HA3 GLY A 57 -1.832 5.455 -5.008 1.00 0.11 H new ATOM 872 N ARG A 58 -4.234 4.569 -6.452 1.00 0.12 N ATOM 873 CA ARG A 58 -5.571 4.836 -6.952 1.00 0.13 C ATOM 874 C ARG A 58 -6.615 4.172 -6.068 1.00 0.15 C ATOM 875 O ARG A 58 -6.388 3.093 -5.519 1.00 0.19 O ATOM 876 CB ARG A 58 -5.701 4.332 -8.392 1.00 0.18 C ATOM 877 CG ARG A 58 -5.450 2.839 -8.540 1.00 0.90 C ATOM 878 CD ARG A 58 -6.746 2.043 -8.497 1.00 0.40 C ATOM 879 NE ARG A 58 -7.578 2.288 -9.673 1.00 1.00 N ATOM 880 CZ ARG A 58 -7.748 1.406 -10.654 1.00 0.99 C ATOM 881 NH1 ARG A 58 -7.140 0.228 -10.605 1.00 0.89 N ATOM 882 NH2 ARG A 58 -8.521 1.703 -11.688 1.00 1.93 N ATOM 0 H ARG A 58 -4.124 3.662 -5.998 1.00 0.12 H new ATOM 0 HA ARG A 58 -5.740 5.913 -6.935 1.00 0.13 H new ATOM 0 HB2 ARG A 58 -6.701 4.562 -8.760 1.00 0.18 H new ATOM 0 HB3 ARG A 58 -4.997 4.875 -9.023 1.00 0.18 H new ATOM 0 HG2 ARG A 58 -4.937 2.648 -9.483 1.00 0.90 H new ATOM 0 HG3 ARG A 58 -4.788 2.500 -7.743 1.00 0.90 H new ATOM 0 HD2 ARG A 58 -6.516 0.980 -8.431 1.00 0.40 H new ATOM 0 HD3 ARG A 58 -7.303 2.306 -7.598 1.00 0.40 H new ATOM 0 HE ARG A 58 -8.056 3.186 -9.746 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -6.540 -0.004 -9.813 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -7.273 -0.446 -11.359 1.00 0.89 H new ATOM 0 HH21 ARG A 58 -8.987 2.609 -11.733 1.00 1.93 H new ATOM 0 HH22 ARG A 58 -8.650 1.025 -12.439 1.00 1.93 H new ATOM 896 N LEU A 59 -7.765 4.814 -5.952 1.00 0.16 N ATOM 897 CA LEU A 59 -8.859 4.286 -5.149 1.00 0.19 C ATOM 898 C LEU A 59 -9.593 3.195 -5.912 1.00 0.20 C ATOM 899 O LEU A 59 -9.518 3.133 -7.139 1.00 0.22 O ATOM 900 CB LEU A 59 -9.838 5.408 -4.791 1.00 0.22 C ATOM 901 CG LEU A 59 -9.214 6.618 -4.093 1.00 0.78 C ATOM 902 CD1 LEU A 59 -9.905 7.898 -4.535 1.00 1.21 C ATOM 903 CD2 LEU A 59 -9.303 6.465 -2.583 1.00 1.07 C ATOM 0 H LEU A 59 -7.967 5.705 -6.405 1.00 0.16 H new ATOM 0 HA LEU A 59 -8.445 3.864 -4.233 1.00 0.19 H new ATOM 0 HB2 LEU A 59 -10.327 5.747 -5.704 1.00 0.22 H new ATOM 0 HB3 LEU A 59 -10.616 4.998 -4.147 1.00 0.22 H new ATOM 0 HG LEU A 59 -8.162 6.675 -4.374 1.00 0.78 H new ATOM 0 HD11 LEU A 59 -9.450 8.750 -4.030 1.00 1.21 H new ATOM 0 HD12 LEU A 59 -9.798 8.016 -5.613 1.00 1.21 H new ATOM 0 HD13 LEU A 59 -10.963 7.847 -4.279 1.00 1.21 H new ATOM 0 HD21 LEU A 59 -8.855 7.334 -2.102 1.00 1.07 H new ATOM 0 HD22 LEU A 59 -10.349 6.385 -2.286 1.00 1.07 H new ATOM 0 HD23 LEU A 59 -8.770 5.565 -2.276 1.00 1.07 H new ATOM 915 N ILE A 60 -10.292 2.330 -5.185 1.00 0.25 N ATOM 916 CA ILE A 60 -11.057 1.263 -5.813 1.00 0.28 C ATOM 917 C ILE A 60 -12.068 1.878 -6.774 1.00 0.29 C ATOM 918 O ILE A 60 -12.646 1.201 -7.623 1.00 0.32 O ATOM 919 CB ILE A 60 -11.779 0.391 -4.752 1.00 0.34 C ATOM 920 CG1 ILE A 60 -11.781 -1.090 -5.163 1.00 0.64 C ATOM 921 CG2 ILE A 60 -13.198 0.887 -4.507 1.00 0.61 C ATOM 922 CD1 ILE A 60 -12.561 -1.393 -6.427 1.00 0.52 C ATOM 0 H ILE A 60 -10.344 2.347 -4.166 1.00 0.25 H new ATOM 0 HA ILE A 60 -10.375 0.613 -6.361 1.00 0.28 H new ATOM 0 HB ILE A 60 -11.226 0.481 -3.817 1.00 0.34 H new ATOM 0 HG12 ILE A 60 -10.750 -1.417 -5.301 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -12.196 -1.680 -4.346 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -13.680 0.257 -3.759 1.00 0.61 H new ATOM 0 HG22 ILE A 60 -13.167 1.916 -4.149 1.00 0.61 H new ATOM 0 HG23 ILE A 60 -13.764 0.843 -5.437 1.00 0.61 H new ATOM 0 HD11 ILE A 60 -12.508 -2.461 -6.640 1.00 0.52 H new ATOM 0 HD12 ILE A 60 -13.602 -1.102 -6.290 1.00 0.52 H new ATOM 0 HD13 ILE A 60 -12.134 -0.835 -7.260 1.00 0.52 H new ATOM 934 N ASP A 61 -12.259 3.188 -6.632 1.00 0.30 N ATOM 935 CA ASP A 61 -13.187 3.931 -7.477 1.00 0.36 C ATOM 936 C ASP A 61 -12.736 3.902 -8.935 1.00 0.36 C ATOM 937 O ASP A 61 -13.492 4.268 -9.835 1.00 0.42 O ATOM 938 CB ASP A 61 -13.305 5.377 -6.994 1.00 0.40 C ATOM 939 CG ASP A 61 -14.376 6.151 -7.739 1.00 1.07 C ATOM 940 OD1 ASP A 61 -14.055 6.748 -8.788 1.00 2.01 O ATOM 941 OD2 ASP A 61 -15.536 6.159 -7.274 1.00 0.95 O ATOM 0 H ASP A 61 -11.780 3.758 -5.935 1.00 0.30 H new ATOM 0 HA ASP A 61 -14.165 3.454 -7.408 1.00 0.36 H new ATOM 0 HB2 ASP A 61 -13.531 5.384 -5.928 1.00 0.40 H new ATOM 0 HB3 ASP A 61 -12.345 5.878 -7.119 1.00 0.40 H new ATOM 946 N GLY A 62 -11.499 3.462 -9.163 1.00 0.31 N ATOM 947 CA GLY A 62 -10.979 3.386 -10.515 1.00 0.37 C ATOM 948 C GLY A 62 -10.253 4.644 -10.961 1.00 0.38 C ATOM 949 O GLY A 62 -9.760 4.707 -12.087 1.00 0.45 O ATOM 0 H GLY A 62 -10.851 3.158 -8.436 1.00 0.31 H new ATOM 0 HA2 GLY A 62 -10.297 2.539 -10.585 1.00 0.37 H new ATOM 0 HA3 GLY A 62 -11.803 3.190 -11.201 1.00 0.37 H new ATOM 953 N THR A 63 -10.181 5.651 -10.091 1.00 0.33 N ATOM 954 CA THR A 63 -9.528 6.904 -10.442 1.00 0.37 C ATOM 955 C THR A 63 -8.357 7.201 -9.517 1.00 0.31 C ATOM 956 O THR A 63 -8.472 7.098 -8.295 1.00 0.30 O ATOM 957 CB THR A 63 -10.517 8.085 -10.397 1.00 0.44 C ATOM 958 OG1 THR A 63 -9.827 9.311 -10.668 1.00 1.40 O ATOM 959 CG2 THR A 63 -11.200 8.171 -9.039 1.00 1.28 C ATOM 0 H THR A 63 -10.565 5.621 -9.146 1.00 0.33 H new ATOM 0 HA THR A 63 -9.156 6.787 -11.460 1.00 0.37 H new ATOM 0 HB THR A 63 -11.280 7.920 -11.158 1.00 0.44 H new ATOM 0 HG1 THR A 63 -10.462 10.057 -10.639 1.00 1.40 H new ATOM 0 HG21 THR A 63 -11.893 9.012 -9.033 1.00 1.28 H new ATOM 0 HG22 THR A 63 -11.748 7.248 -8.848 1.00 1.28 H new ATOM 0 HG23 THR A 63 -10.449 8.314 -8.262 1.00 1.28 H new ATOM 967 N VAL A 64 -7.227 7.564 -10.113 1.00 0.28 N ATOM 968 CA VAL A 64 -6.035 7.894 -9.355 1.00 0.22 C ATOM 969 C VAL A 64 -6.309 9.084 -8.453 1.00 0.20 C ATOM 970 O VAL A 64 -6.905 10.074 -8.879 1.00 0.23 O ATOM 971 CB VAL A 64 -4.852 8.221 -10.290 1.00 0.22 C ATOM 972 CG1 VAL A 64 -5.226 9.330 -11.263 1.00 0.25 C ATOM 973 CG2 VAL A 64 -3.617 8.605 -9.487 1.00 0.18 C ATOM 0 H VAL A 64 -7.115 7.636 -11.124 1.00 0.28 H new ATOM 0 HA VAL A 64 -5.769 7.026 -8.751 1.00 0.22 H new ATOM 0 HB VAL A 64 -4.618 7.325 -10.866 1.00 0.22 H new ATOM 0 HG11 VAL A 64 -4.378 9.545 -11.913 1.00 0.25 H new ATOM 0 HG12 VAL A 64 -6.075 9.012 -11.868 1.00 0.25 H new ATOM 0 HG13 VAL A 64 -5.493 10.228 -10.706 1.00 0.25 H new ATOM 0 HG21 VAL A 64 -2.796 8.831 -10.168 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.837 9.483 -8.879 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -3.333 7.776 -8.838 1.00 0.18 H new ATOM 983 N PHE A 65 -5.877 8.985 -7.207 1.00 0.18 N ATOM 984 CA PHE A 65 -6.085 10.065 -6.257 1.00 0.20 C ATOM 985 C PHE A 65 -4.844 10.952 -6.145 1.00 0.20 C ATOM 986 O PHE A 65 -4.950 12.135 -5.815 1.00 0.24 O ATOM 987 CB PHE A 65 -6.507 9.518 -4.875 1.00 0.21 C ATOM 988 CG PHE A 65 -5.559 8.537 -4.216 1.00 0.17 C ATOM 989 CD1 PHE A 65 -4.334 8.206 -4.770 1.00 0.15 C ATOM 990 CD2 PHE A 65 -5.905 7.959 -3.009 1.00 0.18 C ATOM 991 CE1 PHE A 65 -3.479 7.330 -4.140 1.00 0.15 C ATOM 992 CE2 PHE A 65 -5.056 7.074 -2.379 1.00 0.18 C ATOM 993 CZ PHE A 65 -3.837 6.760 -2.945 1.00 0.17 C ATOM 0 H PHE A 65 -5.384 8.175 -6.832 1.00 0.18 H new ATOM 0 HA PHE A 65 -6.900 10.684 -6.633 1.00 0.20 H new ATOM 0 HB2 PHE A 65 -6.645 10.364 -4.201 1.00 0.21 H new ATOM 0 HB3 PHE A 65 -7.478 9.034 -4.982 1.00 0.21 H new ATOM 0 HD1 PHE A 65 -4.044 8.643 -5.714 1.00 0.15 H new ATOM 0 HD2 PHE A 65 -6.853 8.204 -2.553 1.00 0.18 H new ATOM 0 HE1 PHE A 65 -2.525 7.091 -4.587 1.00 0.15 H new ATOM 0 HE2 PHE A 65 -5.346 6.625 -1.440 1.00 0.18 H new ATOM 0 HZ PHE A 65 -3.169 6.070 -2.450 1.00 0.17 H new ATOM 1003 N ASP A 66 -3.670 10.384 -6.426 1.00 0.18 N ATOM 1004 CA ASP A 66 -2.423 11.130 -6.361 1.00 0.19 C ATOM 1005 C ASP A 66 -1.247 10.273 -6.815 1.00 0.17 C ATOM 1006 O ASP A 66 -1.071 9.146 -6.350 1.00 0.18 O ATOM 1007 CB ASP A 66 -2.174 11.646 -4.941 1.00 0.25 C ATOM 1008 CG ASP A 66 -0.902 12.465 -4.840 1.00 0.27 C ATOM 1009 OD1 ASP A 66 0.169 11.870 -4.599 1.00 0.30 O ATOM 1010 OD2 ASP A 66 -0.978 13.701 -5.002 1.00 0.30 O ATOM 0 H ASP A 66 -3.562 9.408 -6.701 1.00 0.18 H new ATOM 0 HA ASP A 66 -2.512 11.981 -7.036 1.00 0.19 H new ATOM 0 HB2 ASP A 66 -3.021 12.254 -4.624 1.00 0.25 H new ATOM 0 HB3 ASP A 66 -2.115 10.801 -4.255 1.00 0.25 H new ATOM 1015 N SER A 67 -0.445 10.812 -7.722 1.00 0.17 N ATOM 1016 CA SER A 67 0.728 10.106 -8.228 1.00 0.19 C ATOM 1017 C SER A 67 1.987 10.943 -8.016 1.00 0.18 C ATOM 1018 O SER A 67 2.063 12.085 -8.469 1.00 0.22 O ATOM 1019 CB SER A 67 0.556 9.788 -9.715 1.00 0.25 C ATOM 1020 OG SER A 67 -0.566 8.951 -9.931 1.00 1.30 O ATOM 0 H SER A 67 -0.584 11.739 -8.125 1.00 0.17 H new ATOM 0 HA SER A 67 0.832 9.171 -7.677 1.00 0.19 H new ATOM 0 HB2 SER A 67 0.436 10.714 -10.277 1.00 0.25 H new ATOM 0 HB3 SER A 67 1.455 9.301 -10.092 1.00 0.25 H new ATOM 0 HG SER A 67 -0.655 8.764 -10.889 1.00 1.30 H new ATOM 1026 N THR A 68 2.975 10.372 -7.327 1.00 0.19 N ATOM 1027 CA THR A 68 4.222 11.086 -7.066 1.00 0.21 C ATOM 1028 C THR A 68 5.031 11.241 -8.348 1.00 0.28 C ATOM 1029 O THR A 68 6.042 11.945 -8.378 1.00 0.34 O ATOM 1030 CB THR A 68 5.076 10.372 -5.999 1.00 0.20 C ATOM 1031 OG1 THR A 68 5.578 9.135 -6.519 1.00 0.27 O ATOM 1032 CG2 THR A 68 4.247 10.103 -4.751 1.00 0.28 C ATOM 0 H THR A 68 2.937 9.428 -6.944 1.00 0.19 H new ATOM 0 HA THR A 68 3.954 12.072 -6.686 1.00 0.21 H new ATOM 0 HB THR A 68 5.914 11.018 -5.736 1.00 0.20 H new ATOM 0 HG1 THR A 68 6.121 8.689 -5.836 1.00 0.27 H new ATOM 0 HG21 THR A 68 4.863 9.599 -4.007 1.00 0.28 H new ATOM 0 HG22 THR A 68 3.886 11.047 -4.344 1.00 0.28 H new ATOM 0 HG23 THR A 68 3.397 9.470 -5.008 1.00 0.28 H new ATOM 1040 N GLU A 69 4.576 10.575 -9.405 1.00 0.42 N ATOM 1041 CA GLU A 69 5.244 10.639 -10.700 1.00 0.56 C ATOM 1042 C GLU A 69 4.960 11.970 -11.391 1.00 0.66 C ATOM 1043 O GLU A 69 5.870 12.622 -11.905 1.00 0.75 O ATOM 1044 CB GLU A 69 4.780 9.491 -11.597 1.00 0.75 C ATOM 1045 CG GLU A 69 5.018 8.114 -11.003 1.00 1.17 C ATOM 1046 CD GLU A 69 4.592 6.998 -11.938 1.00 1.66 C ATOM 1047 OE1 GLU A 69 3.372 6.811 -12.123 1.00 2.05 O ATOM 1048 OE2 GLU A 69 5.481 6.309 -12.481 1.00 2.11 O ATOM 0 H GLU A 69 3.745 9.983 -9.390 1.00 0.42 H new ATOM 0 HA GLU A 69 6.317 10.551 -10.528 1.00 0.56 H new ATOM 0 HB2 GLU A 69 3.716 9.609 -11.801 1.00 0.75 H new ATOM 0 HB3 GLU A 69 5.298 9.558 -12.554 1.00 0.75 H new ATOM 0 HG2 GLU A 69 6.076 8.002 -10.766 1.00 1.17 H new ATOM 0 HG3 GLU A 69 4.470 8.027 -10.065 1.00 1.17 H new ATOM 1055 N LYS A 70 3.689 12.363 -11.399 1.00 0.69 N ATOM 1056 CA LYS A 70 3.272 13.608 -12.033 1.00 0.84 C ATOM 1057 C LYS A 70 3.928 14.813 -11.371 1.00 0.85 C ATOM 1058 O LYS A 70 4.312 15.768 -12.044 1.00 1.01 O ATOM 1059 CB LYS A 70 1.751 13.747 -11.986 1.00 0.91 C ATOM 1060 CG LYS A 70 1.236 15.014 -12.645 1.00 1.63 C ATOM 1061 CD LYS A 70 -0.267 14.961 -12.839 1.00 1.87 C ATOM 1062 CE LYS A 70 -0.811 16.278 -13.373 1.00 2.76 C ATOM 1063 NZ LYS A 70 -0.251 16.611 -14.714 1.00 3.41 N ATOM 0 H LYS A 70 2.929 11.834 -10.972 1.00 0.69 H new ATOM 0 HA LYS A 70 3.594 13.576 -13.074 1.00 0.84 H new ATOM 0 HB2 LYS A 70 1.300 12.884 -12.476 1.00 0.91 H new ATOM 0 HB3 LYS A 70 1.425 13.730 -10.946 1.00 0.91 H new ATOM 0 HG2 LYS A 70 1.496 15.877 -12.032 1.00 1.63 H new ATOM 0 HG3 LYS A 70 1.725 15.150 -13.610 1.00 1.63 H new ATOM 0 HD2 LYS A 70 -0.517 14.157 -13.531 1.00 1.87 H new ATOM 0 HD3 LYS A 70 -0.749 14.726 -11.890 1.00 1.87 H new ATOM 0 HE2 LYS A 70 -1.898 16.222 -13.438 1.00 2.76 H new ATOM 0 HE3 LYS A 70 -0.574 17.079 -12.672 1.00 2.76 H new ATOM 0 HZ1 LYS A 70 -0.734 17.451 -15.093 1.00 3.41 H new ATOM 0 HZ2 LYS A 70 0.767 16.807 -14.626 1.00 3.41 H new ATOM 0 HZ3 LYS A 70 -0.395 15.808 -15.359 1.00 3.41 H new ATOM 1077 N THR A 71 4.052 14.765 -10.049 1.00 0.73 N ATOM 1078 CA THR A 71 4.672 15.854 -9.306 1.00 0.82 C ATOM 1079 C THR A 71 6.115 16.046 -9.760 1.00 0.82 C ATOM 1080 O THR A 71 6.749 17.058 -9.457 1.00 0.97 O ATOM 1081 CB THR A 71 4.645 15.589 -7.789 1.00 0.76 C ATOM 1082 OG1 THR A 71 3.332 15.180 -7.389 1.00 1.25 O ATOM 1083 CG2 THR A 71 5.046 16.832 -7.011 1.00 1.47 C ATOM 0 H THR A 71 3.733 13.987 -9.473 1.00 0.73 H new ATOM 0 HA THR A 71 4.098 16.759 -9.508 1.00 0.82 H new ATOM 0 HB THR A 71 5.360 14.796 -7.571 1.00 0.76 H new ATOM 0 HG1 THR A 71 3.322 15.011 -6.424 1.00 1.25 H new ATOM 0 HG21 THR A 71 5.018 16.617 -5.943 1.00 1.47 H new ATOM 0 HG22 THR A 71 6.055 17.129 -7.295 1.00 1.47 H new ATOM 0 HG23 THR A 71 4.352 17.642 -7.236 1.00 1.47 H new ATOM 1091 N GLY A 72 6.624 15.061 -10.498 1.00 0.69 N ATOM 1092 CA GLY A 72 7.983 15.124 -10.994 1.00 0.70 C ATOM 1093 C GLY A 72 9.004 14.886 -9.905 1.00 0.60 C ATOM 1094 O GLY A 72 10.209 14.969 -10.145 1.00 0.60 O ATOM 0 H GLY A 72 6.114 14.218 -10.760 1.00 0.69 H new ATOM 0 HA2 GLY A 72 8.115 14.381 -11.781 1.00 0.70 H new ATOM 0 HA3 GLY A 72 8.158 16.101 -11.445 1.00 0.70 H new ATOM 1098 N LYS A 73 8.524 14.588 -8.701 1.00 0.54 N ATOM 1099 CA LYS A 73 9.410 14.345 -7.572 1.00 0.49 C ATOM 1100 C LYS A 73 9.091 13.011 -6.901 1.00 0.40 C ATOM 1101 O LYS A 73 7.953 12.774 -6.496 1.00 0.43 O ATOM 1102 CB LYS A 73 9.300 15.483 -6.555 1.00 0.60 C ATOM 1103 CG LYS A 73 10.113 15.253 -5.289 1.00 1.47 C ATOM 1104 CD LYS A 73 10.035 16.446 -4.348 1.00 1.89 C ATOM 1105 CE LYS A 73 10.679 17.681 -4.958 1.00 2.37 C ATOM 1106 NZ LYS A 73 12.110 17.449 -5.299 1.00 3.05 N ATOM 0 H LYS A 73 7.530 14.510 -8.485 1.00 0.54 H new ATOM 0 HA LYS A 73 10.432 14.302 -7.949 1.00 0.49 H new ATOM 0 HB2 LYS A 73 9.629 16.410 -7.024 1.00 0.60 H new ATOM 0 HB3 LYS A 73 8.253 15.617 -6.284 1.00 0.60 H new ATOM 0 HG2 LYS A 73 9.748 14.362 -4.778 1.00 1.47 H new ATOM 0 HG3 LYS A 73 11.154 15.065 -5.553 1.00 1.47 H new ATOM 0 HD2 LYS A 73 8.992 16.657 -4.113 1.00 1.89 H new ATOM 0 HD3 LYS A 73 10.531 16.202 -3.408 1.00 1.89 H new ATOM 0 HE2 LYS A 73 10.133 17.969 -5.857 1.00 2.37 H new ATOM 0 HE3 LYS A 73 10.603 18.513 -4.259 1.00 2.37 H new ATOM 0 HZ1 LYS A 73 12.583 18.362 -5.453 1.00 3.05 H new ATOM 0 HZ2 LYS A 73 12.576 16.945 -4.517 1.00 3.05 H new ATOM 0 HZ3 LYS A 73 12.172 16.877 -6.165 1.00 3.05 H new ATOM 1120 N PRO A 74 10.093 12.121 -6.773 1.00 0.33 N ATOM 1121 CA PRO A 74 9.905 10.819 -6.131 1.00 0.29 C ATOM 1122 C PRO A 74 9.306 10.964 -4.740 1.00 0.24 C ATOM 1123 O PRO A 74 9.339 12.044 -4.151 1.00 0.27 O ATOM 1124 CB PRO A 74 11.323 10.252 -6.038 1.00 0.33 C ATOM 1125 CG PRO A 74 12.089 10.945 -7.109 1.00 0.51 C ATOM 1126 CD PRO A 74 11.478 12.311 -7.245 1.00 0.38 C ATOM 0 HA PRO A 74 9.218 10.181 -6.688 1.00 0.29 H new ATOM 0 HB2 PRO A 74 11.759 10.440 -5.057 1.00 0.33 H new ATOM 0 HB3 PRO A 74 11.326 9.172 -6.187 1.00 0.33 H new ATOM 0 HG2 PRO A 74 13.145 11.015 -6.849 1.00 0.51 H new ATOM 0 HG3 PRO A 74 12.028 10.396 -8.049 1.00 0.51 H new ATOM 0 HD2 PRO A 74 12.009 13.049 -6.644 1.00 0.38 H new ATOM 0 HD3 PRO A 74 11.505 12.661 -8.277 1.00 0.38 H new ATOM 1134 N ALA A 75 8.768 9.873 -4.212 1.00 0.21 N ATOM 1135 CA ALA A 75 8.169 9.893 -2.888 1.00 0.19 C ATOM 1136 C ALA A 75 9.181 9.463 -1.828 1.00 0.18 C ATOM 1137 O ALA A 75 9.759 8.383 -1.917 1.00 0.19 O ATOM 1138 CB ALA A 75 6.946 8.993 -2.847 1.00 0.23 C ATOM 0 H ALA A 75 8.735 8.967 -4.679 1.00 0.21 H new ATOM 0 HA ALA A 75 7.859 10.915 -2.669 1.00 0.19 H new ATOM 0 HB1 ALA A 75 6.509 9.019 -1.849 1.00 0.23 H new ATOM 0 HB2 ALA A 75 6.213 9.342 -3.574 1.00 0.23 H new ATOM 0 HB3 ALA A 75 7.238 7.971 -3.089 1.00 0.23 H new ATOM 1144 N THR A 76 9.392 10.311 -0.825 1.00 0.18 N ATOM 1145 CA THR A 76 10.342 10.010 0.244 1.00 0.18 C ATOM 1146 C THR A 76 9.668 10.072 1.610 1.00 0.21 C ATOM 1147 O THR A 76 9.201 11.129 2.034 1.00 0.26 O ATOM 1148 CB THR A 76 11.530 10.991 0.231 1.00 0.21 C ATOM 1149 OG1 THR A 76 12.109 11.044 -1.077 1.00 1.15 O ATOM 1150 CG2 THR A 76 12.591 10.573 1.241 1.00 1.26 C ATOM 0 H THR A 76 8.920 11.210 -0.729 1.00 0.18 H new ATOM 0 HA THR A 76 10.709 8.999 0.065 1.00 0.18 H new ATOM 0 HB THR A 76 11.157 11.978 0.505 1.00 0.21 H new ATOM 0 HG1 THR A 76 12.862 11.671 -1.076 1.00 1.15 H new ATOM 0 HG21 THR A 76 13.419 11.281 1.213 1.00 1.26 H new ATOM 0 HG22 THR A 76 12.157 10.562 2.241 1.00 1.26 H new ATOM 0 HG23 THR A 76 12.957 9.577 0.993 1.00 1.26 H new ATOM 1158 N PHE A 77 9.620 8.933 2.292 1.00 0.20 N ATOM 1159 CA PHE A 77 8.997 8.860 3.610 1.00 0.26 C ATOM 1160 C PHE A 77 9.503 7.653 4.398 1.00 0.26 C ATOM 1161 O PHE A 77 10.021 6.696 3.823 1.00 0.29 O ATOM 1162 CB PHE A 77 7.477 8.768 3.460 1.00 0.28 C ATOM 1163 CG PHE A 77 7.032 7.576 2.657 1.00 0.26 C ATOM 1164 CD1 PHE A 77 7.000 7.631 1.272 1.00 0.25 C ATOM 1165 CD2 PHE A 77 6.652 6.399 3.287 1.00 0.32 C ATOM 1166 CE1 PHE A 77 6.597 6.537 0.530 1.00 0.29 C ATOM 1167 CE2 PHE A 77 6.248 5.304 2.549 1.00 0.36 C ATOM 1168 CZ PHE A 77 6.222 5.372 1.169 1.00 0.34 C ATOM 0 H PHE A 77 10.004 8.050 1.956 1.00 0.20 H new ATOM 0 HA PHE A 77 9.263 9.764 4.158 1.00 0.26 H new ATOM 0 HB2 PHE A 77 7.023 8.721 4.450 1.00 0.28 H new ATOM 0 HB3 PHE A 77 7.110 9.677 2.983 1.00 0.28 H new ATOM 0 HD1 PHE A 77 7.293 8.539 0.767 1.00 0.25 H new ATOM 0 HD2 PHE A 77 6.673 6.339 4.365 1.00 0.32 H new ATOM 0 HE1 PHE A 77 6.575 6.593 -0.548 1.00 0.29 H new ATOM 0 HE2 PHE A 77 5.952 4.394 3.050 1.00 0.36 H new ATOM 0 HZ PHE A 77 5.909 4.515 0.591 1.00 0.34 H new ATOM 1178 N GLN A 78 9.348 7.711 5.719 1.00 0.30 N ATOM 1179 CA GLN A 78 9.754 6.611 6.588 1.00 0.36 C ATOM 1180 C GLN A 78 8.660 5.547 6.586 1.00 0.31 C ATOM 1181 O GLN A 78 7.473 5.870 6.539 1.00 0.35 O ATOM 1182 CB GLN A 78 9.995 7.120 8.011 1.00 0.52 C ATOM 1183 CG GLN A 78 11.375 6.788 8.557 1.00 1.03 C ATOM 1184 CD GLN A 78 11.359 5.639 9.547 1.00 1.02 C ATOM 1185 OE1 GLN A 78 10.433 4.705 9.364 1.00 1.58 O flip ATOM 1186 NE2 GLN A 78 12.174 5.591 10.469 1.00 1.00 N flip ATOM 0 H GLN A 78 8.944 8.509 6.210 1.00 0.30 H new ATOM 0 HA GLN A 78 10.684 6.179 6.218 1.00 0.36 H new ATOM 0 HB2 GLN A 78 9.858 8.201 8.028 1.00 0.52 H new ATOM 0 HB3 GLN A 78 9.241 6.693 8.672 1.00 0.52 H new ATOM 0 HG2 GLN A 78 12.037 6.537 7.728 1.00 1.03 H new ATOM 0 HG3 GLN A 78 11.791 7.672 9.041 1.00 1.03 H new ATOM 0 HE21 GLN A 78 12.869 6.330 10.574 1.00 1.00 H new ATOM 0 HE22 GLN A 78 12.154 4.813 11.128 1.00 1.00 H new ATOM 1195 N VAL A 79 9.056 4.284 6.643 1.00 0.30 N ATOM 1196 CA VAL A 79 8.101 3.181 6.607 1.00 0.31 C ATOM 1197 C VAL A 79 7.273 3.064 7.890 1.00 0.32 C ATOM 1198 O VAL A 79 6.260 2.368 7.909 1.00 0.42 O ATOM 1199 CB VAL A 79 8.814 1.842 6.343 1.00 0.36 C ATOM 1200 CG1 VAL A 79 9.702 1.944 5.111 1.00 1.07 C ATOM 1201 CG2 VAL A 79 9.622 1.414 7.558 1.00 0.90 C ATOM 0 H VAL A 79 10.032 3.995 6.714 1.00 0.30 H new ATOM 0 HA VAL A 79 7.418 3.406 5.788 1.00 0.31 H new ATOM 0 HB VAL A 79 8.057 1.081 6.156 1.00 0.36 H new ATOM 0 HG11 VAL A 79 10.198 0.989 4.940 1.00 1.07 H new ATOM 0 HG12 VAL A 79 9.093 2.197 4.243 1.00 1.07 H new ATOM 0 HG13 VAL A 79 10.452 2.719 5.266 1.00 1.07 H new ATOM 0 HG21 VAL A 79 10.117 0.466 7.350 1.00 0.90 H new ATOM 0 HG22 VAL A 79 10.371 2.173 7.783 1.00 0.90 H new ATOM 0 HG23 VAL A 79 8.957 1.296 8.414 1.00 0.90 H new ATOM 1211 N SER A 80 7.696 3.740 8.953 1.00 0.30 N ATOM 1212 CA SER A 80 6.978 3.675 10.230 1.00 0.36 C ATOM 1213 C SER A 80 5.998 4.835 10.401 1.00 0.34 C ATOM 1214 O SER A 80 5.080 4.764 11.217 1.00 0.42 O ATOM 1215 CB SER A 80 7.970 3.667 11.394 1.00 0.46 C ATOM 1216 OG SER A 80 8.724 2.469 11.412 1.00 1.14 O ATOM 0 H SER A 80 8.524 4.335 8.961 1.00 0.30 H new ATOM 0 HA SER A 80 6.402 2.750 10.227 1.00 0.36 H new ATOM 0 HB2 SER A 80 8.641 4.522 11.310 1.00 0.46 H new ATOM 0 HB3 SER A 80 7.432 3.776 12.336 1.00 0.46 H new ATOM 0 HG SER A 80 9.552 2.596 10.903 1.00 1.14 H new ATOM 1222 N GLN A 81 6.198 5.897 9.633 1.00 0.31 N ATOM 1223 CA GLN A 81 5.340 7.077 9.720 1.00 0.36 C ATOM 1224 C GLN A 81 4.018 6.894 8.970 1.00 0.32 C ATOM 1225 O GLN A 81 3.236 7.839 8.853 1.00 0.37 O ATOM 1226 CB GLN A 81 6.079 8.302 9.180 1.00 0.46 C ATOM 1227 CG GLN A 81 7.397 8.574 9.887 1.00 1.09 C ATOM 1228 CD GLN A 81 7.231 8.770 11.381 1.00 1.48 C ATOM 1229 OE1 GLN A 81 6.198 9.252 11.845 1.00 2.08 O ATOM 1230 NE2 GLN A 81 8.252 8.396 12.142 1.00 1.80 N ATOM 0 H GLN A 81 6.945 5.969 8.942 1.00 0.31 H new ATOM 0 HA GLN A 81 5.099 7.224 10.773 1.00 0.36 H new ATOM 0 HB2 GLN A 81 6.268 8.162 8.116 1.00 0.46 H new ATOM 0 HB3 GLN A 81 5.436 9.177 9.277 1.00 0.46 H new ATOM 0 HG2 GLN A 81 8.079 7.743 9.707 1.00 1.09 H new ATOM 0 HG3 GLN A 81 7.858 9.463 9.457 1.00 1.09 H new ATOM 0 HE21 GLN A 81 9.089 8.001 11.714 1.00 1.80 H new ATOM 0 HE22 GLN A 81 8.199 8.504 13.155 1.00 1.80 H new ATOM 1239 N VAL A 82 3.767 5.689 8.466 1.00 0.26 N ATOM 1240 CA VAL A 82 2.537 5.424 7.719 1.00 0.26 C ATOM 1241 C VAL A 82 1.580 4.488 8.468 1.00 0.24 C ATOM 1242 O VAL A 82 1.834 4.104 9.609 1.00 0.24 O ATOM 1243 CB VAL A 82 2.853 4.837 6.332 1.00 0.30 C ATOM 1244 CG1 VAL A 82 3.350 5.931 5.400 1.00 0.45 C ATOM 1245 CG2 VAL A 82 3.879 3.721 6.444 1.00 0.25 C ATOM 0 H VAL A 82 4.390 4.887 8.559 1.00 0.26 H new ATOM 0 HA VAL A 82 2.036 6.385 7.603 1.00 0.26 H new ATOM 0 HB VAL A 82 1.938 4.416 5.916 1.00 0.30 H new ATOM 0 HG11 VAL A 82 3.570 5.503 4.422 1.00 0.45 H new ATOM 0 HG12 VAL A 82 2.582 6.697 5.296 1.00 0.45 H new ATOM 0 HG13 VAL A 82 4.255 6.377 5.813 1.00 0.45 H new ATOM 0 HG21 VAL A 82 4.089 3.319 5.453 1.00 0.25 H new ATOM 0 HG22 VAL A 82 4.798 4.114 6.878 1.00 0.25 H new ATOM 0 HG23 VAL A 82 3.487 2.929 7.081 1.00 0.25 H new ATOM 1255 N ILE A 83 0.476 4.132 7.805 1.00 0.25 N ATOM 1256 CA ILE A 83 -0.548 3.260 8.384 1.00 0.26 C ATOM 1257 C ILE A 83 0.021 1.915 8.856 1.00 0.26 C ATOM 1258 O ILE A 83 1.102 1.508 8.432 1.00 0.23 O ATOM 1259 CB ILE A 83 -1.688 3.006 7.374 1.00 0.30 C ATOM 1260 CG1 ILE A 83 -1.137 2.393 6.086 1.00 0.29 C ATOM 1261 CG2 ILE A 83 -2.426 4.305 7.078 1.00 0.32 C ATOM 1262 CD1 ILE A 83 -2.210 1.979 5.103 1.00 0.75 C ATOM 0 H ILE A 83 0.268 4.439 6.855 1.00 0.25 H new ATOM 0 HA ILE A 83 -0.938 3.784 9.257 1.00 0.26 H new ATOM 0 HB ILE A 83 -2.392 2.299 7.813 1.00 0.30 H new ATOM 0 HG12 ILE A 83 -0.475 3.113 5.606 1.00 0.29 H new ATOM 0 HG13 ILE A 83 -0.532 1.522 6.338 1.00 0.29 H new ATOM 0 HG21 ILE A 83 -3.228 4.114 6.365 1.00 0.32 H new ATOM 0 HG22 ILE A 83 -2.849 4.702 8.001 1.00 0.32 H new ATOM 0 HG23 ILE A 83 -1.731 5.031 6.656 1.00 0.32 H new ATOM 0 HD11 ILE A 83 -1.744 1.553 4.214 1.00 0.75 H new ATOM 0 HD12 ILE A 83 -2.859 1.235 5.565 1.00 0.75 H new ATOM 0 HD13 ILE A 83 -2.801 2.850 4.821 1.00 0.75 H new ATOM 1274 N PRO A 84 -0.713 1.211 9.752 1.00 0.32 N ATOM 1275 CA PRO A 84 -0.280 -0.083 10.307 1.00 0.34 C ATOM 1276 C PRO A 84 0.214 -1.083 9.257 1.00 0.31 C ATOM 1277 O PRO A 84 1.363 -1.523 9.297 1.00 0.32 O ATOM 1278 CB PRO A 84 -1.544 -0.611 10.991 1.00 0.43 C ATOM 1279 CG PRO A 84 -2.304 0.609 11.372 1.00 0.65 C ATOM 1280 CD PRO A 84 -2.022 1.629 10.301 1.00 0.41 C ATOM 0 HA PRO A 84 0.577 0.045 10.969 1.00 0.34 H new ATOM 0 HB2 PRO A 84 -2.123 -1.244 10.319 1.00 0.43 H new ATOM 0 HB3 PRO A 84 -1.299 -1.214 11.865 1.00 0.43 H new ATOM 0 HG2 PRO A 84 -3.371 0.398 11.438 1.00 0.65 H new ATOM 0 HG3 PRO A 84 -1.990 0.974 12.350 1.00 0.65 H new ATOM 0 HD2 PRO A 84 -2.796 1.628 9.534 1.00 0.41 H new ATOM 0 HD3 PRO A 84 -1.980 2.638 10.711 1.00 0.41 H new ATOM 1288 N GLY A 85 -0.657 -1.451 8.327 1.00 0.31 N ATOM 1289 CA GLY A 85 -0.284 -2.401 7.295 1.00 0.31 C ATOM 1290 C GLY A 85 0.977 -2.011 6.544 1.00 0.27 C ATOM 1291 O GLY A 85 1.881 -2.829 6.370 1.00 0.28 O ATOM 0 H GLY A 85 -1.616 -1.109 8.268 1.00 0.31 H new ATOM 0 HA2 GLY A 85 -0.139 -3.381 7.749 1.00 0.31 H new ATOM 0 HA3 GLY A 85 -1.106 -2.497 6.585 1.00 0.31 H new ATOM 1295 N TRP A 86 1.037 -0.757 6.107 1.00 0.25 N ATOM 1296 CA TRP A 86 2.178 -0.258 5.344 1.00 0.25 C ATOM 1297 C TRP A 86 3.510 -0.469 6.064 1.00 0.24 C ATOM 1298 O TRP A 86 4.466 -0.951 5.462 1.00 0.30 O ATOM 1299 CB TRP A 86 1.993 1.224 5.017 1.00 0.25 C ATOM 1300 CG TRP A 86 1.516 1.471 3.616 1.00 0.21 C ATOM 1301 CD1 TRP A 86 0.612 0.730 2.913 1.00 0.26 C ATOM 1302 CD2 TRP A 86 1.920 2.537 2.750 1.00 0.34 C ATOM 1303 NE1 TRP A 86 0.436 1.264 1.658 1.00 0.19 N ATOM 1304 CE2 TRP A 86 1.225 2.377 1.537 1.00 0.28 C ATOM 1305 CE3 TRP A 86 2.801 3.612 2.884 1.00 0.60 C ATOM 1306 CZ2 TRP A 86 1.387 3.252 0.465 1.00 0.44 C ATOM 1307 CZ3 TRP A 86 2.960 4.479 1.819 1.00 0.78 C ATOM 1308 CH2 TRP A 86 2.255 4.295 0.625 1.00 0.70 C ATOM 0 H TRP A 86 0.306 -0.064 6.269 1.00 0.25 H new ATOM 0 HA TRP A 86 2.215 -0.837 4.422 1.00 0.25 H new ATOM 0 HB2 TRP A 86 1.279 1.656 5.717 1.00 0.25 H new ATOM 0 HB3 TRP A 86 2.940 1.742 5.167 1.00 0.25 H new ATOM 0 HD1 TRP A 86 0.108 -0.148 3.288 1.00 0.26 H new ATOM 0 HE1 TRP A 86 -0.181 0.892 0.936 1.00 0.19 H new ATOM 0 HE3 TRP A 86 3.348 3.763 3.803 1.00 0.60 H new ATOM 0 HZ2 TRP A 86 0.846 3.111 -0.459 1.00 0.44 H new ATOM 0 HZ3 TRP A 86 3.640 5.313 1.910 1.00 0.78 H new ATOM 0 HH2 TRP A 86 2.400 4.992 -0.187 1.00 0.70 H new ATOM 1319 N THR A 87 3.579 -0.110 7.342 1.00 0.23 N ATOM 1320 CA THR A 87 4.823 -0.260 8.093 1.00 0.26 C ATOM 1321 C THR A 87 5.247 -1.722 8.200 1.00 0.25 C ATOM 1322 O THR A 87 6.440 -2.026 8.206 1.00 0.26 O ATOM 1323 CB THR A 87 4.734 0.351 9.508 1.00 0.33 C ATOM 1324 OG1 THR A 87 6.012 0.278 10.153 1.00 1.40 O ATOM 1325 CG2 THR A 87 3.700 -0.363 10.360 1.00 1.25 C ATOM 0 H THR A 87 2.802 0.281 7.874 1.00 0.23 H new ATOM 0 HA THR A 87 5.577 0.289 7.529 1.00 0.26 H new ATOM 0 HB THR A 87 4.430 1.392 9.401 1.00 0.33 H new ATOM 0 HG1 THR A 87 5.949 0.669 11.050 1.00 1.40 H new ATOM 0 HG21 THR A 87 3.665 0.094 11.349 1.00 1.25 H new ATOM 0 HG22 THR A 87 2.721 -0.282 9.888 1.00 1.25 H new ATOM 0 HG23 THR A 87 3.971 -1.415 10.456 1.00 1.25 H new ATOM 1333 N GLU A 88 4.274 -2.624 8.285 1.00 0.25 N ATOM 1334 CA GLU A 88 4.571 -4.052 8.394 1.00 0.28 C ATOM 1335 C GLU A 88 5.125 -4.621 7.088 1.00 0.28 C ATOM 1336 O GLU A 88 6.043 -5.439 7.101 1.00 0.34 O ATOM 1337 CB GLU A 88 3.323 -4.832 8.809 1.00 0.33 C ATOM 1338 CG GLU A 88 2.876 -4.552 10.233 1.00 0.69 C ATOM 1339 CD GLU A 88 3.975 -4.792 11.250 1.00 0.86 C ATOM 1340 OE1 GLU A 88 4.123 -5.946 11.705 1.00 1.43 O ATOM 1341 OE2 GLU A 88 4.690 -3.825 11.591 1.00 1.15 O ATOM 0 H GLU A 88 3.280 -2.396 8.281 1.00 0.25 H new ATOM 0 HA GLU A 88 5.337 -4.162 9.161 1.00 0.28 H new ATOM 0 HB2 GLU A 88 2.509 -4.588 8.127 1.00 0.33 H new ATOM 0 HB3 GLU A 88 3.519 -5.899 8.702 1.00 0.33 H new ATOM 0 HG2 GLU A 88 2.538 -3.518 10.307 1.00 0.69 H new ATOM 0 HG3 GLU A 88 2.021 -5.185 10.472 1.00 0.69 H new ATOM 1348 N ALA A 89 4.556 -4.202 5.963 1.00 0.26 N ATOM 1349 CA ALA A 89 5.002 -4.688 4.658 1.00 0.29 C ATOM 1350 C ALA A 89 6.319 -4.041 4.238 1.00 0.29 C ATOM 1351 O ALA A 89 7.260 -4.727 3.833 1.00 0.33 O ATOM 1352 CB ALA A 89 3.937 -4.433 3.604 1.00 0.29 C ATOM 0 H ALA A 89 3.789 -3.531 5.926 1.00 0.26 H new ATOM 0 HA ALA A 89 5.168 -5.762 4.747 1.00 0.29 H new ATOM 0 HB1 ALA A 89 4.285 -4.801 2.639 1.00 0.29 H new ATOM 0 HB2 ALA A 89 3.019 -4.952 3.881 1.00 0.29 H new ATOM 0 HB3 ALA A 89 3.742 -3.363 3.536 1.00 0.29 H new ATOM 1358 N LEU A 90 6.371 -2.719 4.333 1.00 0.28 N ATOM 1359 CA LEU A 90 7.556 -1.952 3.955 1.00 0.31 C ATOM 1360 C LEU A 90 8.805 -2.419 4.703 1.00 0.35 C ATOM 1361 O LEU A 90 9.884 -2.519 4.119 1.00 0.39 O ATOM 1362 CB LEU A 90 7.317 -0.465 4.225 1.00 0.33 C ATOM 1363 CG LEU A 90 6.713 0.334 3.065 1.00 0.33 C ATOM 1364 CD1 LEU A 90 7.755 0.567 1.983 1.00 0.39 C ATOM 1365 CD2 LEU A 90 5.493 -0.375 2.489 1.00 0.32 C ATOM 0 H LEU A 90 5.597 -2.148 4.673 1.00 0.28 H new ATOM 0 HA LEU A 90 7.729 -2.115 2.891 1.00 0.31 H new ATOM 0 HB2 LEU A 90 6.657 -0.373 5.087 1.00 0.33 H new ATOM 0 HB3 LEU A 90 8.267 -0.008 4.501 1.00 0.33 H new ATOM 0 HG LEU A 90 6.389 1.301 3.451 1.00 0.33 H new ATOM 0 HD11 LEU A 90 7.311 1.136 1.166 1.00 0.39 H new ATOM 0 HD12 LEU A 90 8.594 1.125 2.400 1.00 0.39 H new ATOM 0 HD13 LEU A 90 8.109 -0.393 1.606 1.00 0.39 H new ATOM 0 HD21 LEU A 90 5.084 0.214 1.668 1.00 0.32 H new ATOM 0 HD22 LEU A 90 5.784 -1.359 2.121 1.00 0.32 H new ATOM 0 HD23 LEU A 90 4.737 -0.488 3.266 1.00 0.32 H new ATOM 1377 N GLN A 91 8.656 -2.702 5.993 1.00 0.37 N ATOM 1378 CA GLN A 91 9.782 -3.143 6.814 1.00 0.43 C ATOM 1379 C GLN A 91 10.311 -4.504 6.361 1.00 0.39 C ATOM 1380 O GLN A 91 11.302 -4.999 6.899 1.00 0.43 O ATOM 1381 CB GLN A 91 9.373 -3.211 8.288 1.00 0.52 C ATOM 1382 CG GLN A 91 8.378 -4.321 8.589 1.00 1.07 C ATOM 1383 CD GLN A 91 7.870 -4.286 10.019 1.00 1.32 C ATOM 1384 OE1 GLN A 91 7.746 -3.087 10.576 1.00 1.87 O flip ATOM 1385 NE2 GLN A 91 7.582 -5.325 10.612 1.00 1.80 N flip ATOM 0 H GLN A 91 7.770 -2.635 6.493 1.00 0.37 H new ATOM 0 HA GLN A 91 10.581 -2.412 6.693 1.00 0.43 H new ATOM 0 HB2 GLN A 91 10.264 -3.357 8.898 1.00 0.52 H new ATOM 0 HB3 GLN A 91 8.939 -2.255 8.581 1.00 0.52 H new ATOM 0 HG2 GLN A 91 7.532 -4.239 7.906 1.00 1.07 H new ATOM 0 HG3 GLN A 91 8.849 -5.286 8.399 1.00 1.07 H new ATOM 0 HE21 GLN A 91 7.693 -6.226 10.146 1.00 1.80 H new ATOM 0 HE22 GLN A 91 7.233 -5.286 11.569 1.00 1.80 H new ATOM 1394 N LEU A 92 9.651 -5.107 5.378 1.00 0.37 N ATOM 1395 CA LEU A 92 10.066 -6.414 4.875 1.00 0.36 C ATOM 1396 C LEU A 92 10.762 -6.303 3.519 1.00 0.32 C ATOM 1397 O LEU A 92 11.622 -7.120 3.192 1.00 0.39 O ATOM 1398 CB LEU A 92 8.861 -7.353 4.765 1.00 0.38 C ATOM 1399 CG LEU A 92 8.202 -7.729 6.094 1.00 0.59 C ATOM 1400 CD1 LEU A 92 6.973 -8.594 5.853 1.00 1.17 C ATOM 1401 CD2 LEU A 92 9.191 -8.452 6.998 1.00 1.31 C ATOM 0 H LEU A 92 8.831 -4.715 4.915 1.00 0.37 H new ATOM 0 HA LEU A 92 10.780 -6.825 5.588 1.00 0.36 H new ATOM 0 HB2 LEU A 92 8.112 -6.883 4.127 1.00 0.38 H new ATOM 0 HB3 LEU A 92 9.178 -8.268 4.264 1.00 0.38 H new ATOM 0 HG LEU A 92 7.888 -6.812 6.592 1.00 0.59 H new ATOM 0 HD11 LEU A 92 6.517 -8.852 6.809 1.00 1.17 H new ATOM 0 HD12 LEU A 92 6.255 -8.044 5.245 1.00 1.17 H new ATOM 0 HD13 LEU A 92 7.266 -9.506 5.333 1.00 1.17 H new ATOM 0 HD21 LEU A 92 8.703 -8.711 7.938 1.00 1.31 H new ATOM 0 HD22 LEU A 92 9.536 -9.361 6.506 1.00 1.31 H new ATOM 0 HD23 LEU A 92 10.043 -7.802 7.198 1.00 1.31 H new ATOM 1413 N MET A 93 10.390 -5.295 2.733 1.00 0.31 N ATOM 1414 CA MET A 93 10.982 -5.101 1.419 1.00 0.33 C ATOM 1415 C MET A 93 12.327 -4.373 1.510 1.00 0.23 C ATOM 1416 O MET A 93 12.379 -3.192 1.857 1.00 0.23 O ATOM 1417 CB MET A 93 10.020 -4.325 0.512 1.00 0.45 C ATOM 1418 CG MET A 93 9.601 -2.966 1.054 1.00 1.05 C ATOM 1419 SD MET A 93 8.492 -2.084 -0.062 1.00 1.05 S ATOM 1420 CE MET A 93 6.985 -3.033 0.125 1.00 1.66 C ATOM 0 H MET A 93 9.683 -4.604 2.985 1.00 0.31 H new ATOM 0 HA MET A 93 11.164 -6.085 0.988 1.00 0.33 H new ATOM 0 HB2 MET A 93 10.491 -4.185 -0.461 1.00 0.45 H new ATOM 0 HB3 MET A 93 9.127 -4.929 0.350 1.00 0.45 H new ATOM 0 HG2 MET A 93 9.109 -3.099 2.018 1.00 1.05 H new ATOM 0 HG3 MET A 93 10.490 -2.360 1.231 1.00 1.05 H new ATOM 0 HE1 MET A 93 6.159 -2.501 -0.347 1.00 1.66 H new ATOM 0 HE2 MET A 93 7.107 -4.007 -0.349 1.00 1.66 H new ATOM 0 HE3 MET A 93 6.770 -3.170 1.185 1.00 1.66 H new ATOM 1430 N PRO A 94 13.444 -5.072 1.212 1.00 0.25 N ATOM 1431 CA PRO A 94 14.779 -4.466 1.249 1.00 0.23 C ATOM 1432 C PRO A 94 14.966 -3.463 0.121 1.00 0.21 C ATOM 1433 O PRO A 94 14.405 -3.632 -0.963 1.00 0.21 O ATOM 1434 CB PRO A 94 15.721 -5.657 1.069 1.00 0.31 C ATOM 1435 CG PRO A 94 14.912 -6.671 0.339 1.00 0.44 C ATOM 1436 CD PRO A 94 13.497 -6.495 0.820 1.00 0.37 C ATOM 0 HA PRO A 94 14.957 -3.911 2.170 1.00 0.23 H new ATOM 0 HB2 PRO A 94 16.610 -5.377 0.503 1.00 0.31 H new ATOM 0 HB3 PRO A 94 16.063 -6.040 2.030 1.00 0.31 H new ATOM 0 HG2 PRO A 94 14.979 -6.522 -0.739 1.00 0.44 H new ATOM 0 HG3 PRO A 94 15.272 -7.679 0.545 1.00 0.44 H new ATOM 0 HD2 PRO A 94 12.775 -6.723 0.036 1.00 0.37 H new ATOM 0 HD3 PRO A 94 13.273 -7.152 1.660 1.00 0.37 H new ATOM 1444 N ALA A 95 15.745 -2.417 0.381 1.00 0.24 N ATOM 1445 CA ALA A 95 15.998 -1.387 -0.619 1.00 0.27 C ATOM 1446 C ALA A 95 16.342 -2.006 -1.971 1.00 0.27 C ATOM 1447 O ALA A 95 17.238 -2.840 -2.069 1.00 0.31 O ATOM 1448 CB ALA A 95 17.117 -0.471 -0.147 1.00 0.36 C ATOM 0 H ALA A 95 16.211 -2.261 1.275 1.00 0.24 H new ATOM 0 HA ALA A 95 15.089 -0.799 -0.746 1.00 0.27 H new ATOM 0 HB1 ALA A 95 17.301 0.296 -0.899 1.00 0.36 H new ATOM 0 HB2 ALA A 95 16.828 0.002 0.791 1.00 0.36 H new ATOM 0 HB3 ALA A 95 18.025 -1.054 0.005 1.00 0.36 H new ATOM 1454 N GLY A 96 15.624 -1.587 -3.011 1.00 0.27 N ATOM 1455 CA GLY A 96 15.864 -2.114 -4.345 1.00 0.28 C ATOM 1456 C GLY A 96 14.812 -3.127 -4.775 1.00 0.28 C ATOM 1457 O GLY A 96 14.794 -3.559 -5.928 1.00 0.34 O ATOM 0 H GLY A 96 14.880 -0.892 -2.954 1.00 0.27 H new ATOM 0 HA2 GLY A 96 15.882 -1.290 -5.059 1.00 0.28 H new ATOM 0 HA3 GLY A 96 16.847 -2.583 -4.374 1.00 0.28 H new ATOM 1461 N SER A 97 13.935 -3.504 -3.846 1.00 0.24 N ATOM 1462 CA SER A 97 12.875 -4.473 -4.128 1.00 0.24 C ATOM 1463 C SER A 97 11.701 -3.819 -4.850 1.00 0.19 C ATOM 1464 O SER A 97 11.753 -2.641 -5.200 1.00 0.21 O ATOM 1465 CB SER A 97 12.391 -5.114 -2.827 1.00 0.28 C ATOM 1466 OG SER A 97 13.427 -5.855 -2.210 1.00 1.41 O ATOM 0 H SER A 97 13.937 -3.152 -2.889 1.00 0.24 H new ATOM 0 HA SER A 97 13.289 -5.242 -4.781 1.00 0.24 H new ATOM 0 HB2 SER A 97 12.037 -4.340 -2.146 1.00 0.28 H new ATOM 0 HB3 SER A 97 11.544 -5.768 -3.033 1.00 0.28 H new ATOM 0 HG SER A 97 14.040 -5.242 -1.752 1.00 1.41 H new ATOM 1472 N THR A 98 10.643 -4.597 -5.069 1.00 0.17 N ATOM 1473 CA THR A 98 9.454 -4.106 -5.754 1.00 0.14 C ATOM 1474 C THR A 98 8.229 -4.937 -5.390 1.00 0.13 C ATOM 1475 O THR A 98 8.062 -6.057 -5.873 1.00 0.23 O ATOM 1476 CB THR A 98 9.633 -4.144 -7.282 1.00 0.16 C ATOM 1477 OG1 THR A 98 10.891 -3.564 -7.645 1.00 0.20 O ATOM 1478 CG2 THR A 98 8.502 -3.399 -7.975 1.00 0.18 C ATOM 0 H THR A 98 10.587 -5.574 -4.780 1.00 0.17 H new ATOM 0 HA THR A 98 9.308 -3.075 -5.431 1.00 0.14 H new ATOM 0 HB THR A 98 9.612 -5.185 -7.604 1.00 0.16 H new ATOM 0 HG1 THR A 98 10.789 -2.594 -7.739 1.00 0.20 H new ATOM 0 HG21 THR A 98 8.648 -3.438 -9.054 1.00 0.18 H new ATOM 0 HG22 THR A 98 7.550 -3.865 -7.721 1.00 0.18 H new ATOM 0 HG23 THR A 98 8.496 -2.359 -7.647 1.00 0.18 H new ATOM 1486 N TRP A 99 7.376 -4.383 -4.537 1.00 0.16 N ATOM 1487 CA TRP A 99 6.161 -5.072 -4.117 1.00 0.15 C ATOM 1488 C TRP A 99 4.929 -4.215 -4.375 1.00 0.16 C ATOM 1489 O TRP A 99 4.992 -2.988 -4.328 1.00 0.18 O ATOM 1490 CB TRP A 99 6.216 -5.406 -2.623 1.00 0.19 C ATOM 1491 CG TRP A 99 7.062 -6.595 -2.271 1.00 0.17 C ATOM 1492 CD1 TRP A 99 7.669 -7.471 -3.126 1.00 0.25 C ATOM 1493 CD2 TRP A 99 7.379 -7.042 -0.949 1.00 0.26 C ATOM 1494 NE1 TRP A 99 8.348 -8.429 -2.412 1.00 0.29 N ATOM 1495 CE2 TRP A 99 8.185 -8.186 -1.074 1.00 0.28 C ATOM 1496 CE3 TRP A 99 7.060 -6.579 0.331 1.00 0.42 C ATOM 1497 CZ2 TRP A 99 8.677 -8.875 0.032 1.00 0.38 C ATOM 1498 CZ3 TRP A 99 7.546 -7.263 1.427 1.00 0.53 C ATOM 1499 CH2 TRP A 99 8.347 -8.399 1.272 1.00 0.49 C ATOM 0 H TRP A 99 7.503 -3.460 -4.123 1.00 0.16 H new ATOM 0 HA TRP A 99 6.094 -5.991 -4.699 1.00 0.15 H new ATOM 0 HB2 TRP A 99 6.595 -4.537 -2.085 1.00 0.19 H new ATOM 0 HB3 TRP A 99 5.201 -5.583 -2.268 1.00 0.19 H new ATOM 0 HD1 TRP A 99 7.622 -7.418 -4.204 1.00 0.25 H new ATOM 0 HE1 TRP A 99 8.886 -9.197 -2.814 1.00 0.29 H new ATOM 0 HE3 TRP A 99 6.444 -5.701 0.460 1.00 0.42 H new ATOM 0 HZ2 TRP A 99 9.296 -9.752 -0.085 1.00 0.38 H new ATOM 0 HZ3 TRP A 99 7.304 -6.915 2.420 1.00 0.53 H new ATOM 0 HH2 TRP A 99 8.713 -8.911 2.149 1.00 0.49 H new ATOM 1510 N GLU A 100 3.809 -4.875 -4.647 1.00 0.17 N ATOM 1511 CA GLU A 100 2.548 -4.181 -4.865 1.00 0.20 C ATOM 1512 C GLU A 100 1.552 -4.641 -3.807 1.00 0.19 C ATOM 1513 O GLU A 100 1.076 -5.775 -3.836 1.00 0.19 O ATOM 1514 CB GLU A 100 2.012 -4.439 -6.282 1.00 0.27 C ATOM 1515 CG GLU A 100 1.669 -5.893 -6.565 1.00 0.95 C ATOM 1516 CD GLU A 100 1.306 -6.135 -8.016 1.00 0.95 C ATOM 1517 OE1 GLU A 100 2.229 -6.314 -8.839 1.00 1.37 O ATOM 1518 OE2 GLU A 100 0.097 -6.146 -8.332 1.00 1.20 O ATOM 0 H GLU A 100 3.750 -5.891 -4.722 1.00 0.17 H new ATOM 0 HA GLU A 100 2.703 -3.106 -4.776 1.00 0.20 H new ATOM 0 HB2 GLU A 100 1.121 -3.831 -6.437 1.00 0.27 H new ATOM 0 HB3 GLU A 100 2.756 -4.106 -7.006 1.00 0.27 H new ATOM 0 HG2 GLU A 100 2.518 -6.521 -6.297 1.00 0.95 H new ATOM 0 HG3 GLU A 100 0.836 -6.196 -5.931 1.00 0.95 H new ATOM 1525 N ILE A 101 1.245 -3.761 -2.866 1.00 0.18 N ATOM 1526 CA ILE A 101 0.342 -4.108 -1.781 1.00 0.18 C ATOM 1527 C ILE A 101 -1.014 -3.432 -1.899 1.00 0.18 C ATOM 1528 O ILE A 101 -1.119 -2.261 -2.263 1.00 0.19 O ATOM 1529 CB ILE A 101 0.958 -3.742 -0.417 1.00 0.20 C ATOM 1530 CG1 ILE A 101 1.260 -2.243 -0.355 1.00 0.18 C ATOM 1531 CG2 ILE A 101 2.219 -4.558 -0.172 1.00 0.25 C ATOM 1532 CD1 ILE A 101 1.791 -1.784 0.985 1.00 0.22 C ATOM 0 H ILE A 101 1.606 -2.807 -2.832 1.00 0.18 H new ATOM 0 HA ILE A 101 0.191 -5.185 -1.853 1.00 0.18 H new ATOM 0 HB ILE A 101 0.239 -3.978 0.368 1.00 0.20 H new ATOM 0 HG12 ILE A 101 1.988 -1.996 -1.128 1.00 0.18 H new ATOM 0 HG13 ILE A 101 0.350 -1.688 -0.585 1.00 0.18 H new ATOM 0 HG21 ILE A 101 2.644 -4.289 0.795 1.00 0.25 H new ATOM 0 HG22 ILE A 101 1.972 -5.620 -0.178 1.00 0.25 H new ATOM 0 HG23 ILE A 101 2.945 -4.350 -0.958 1.00 0.25 H new ATOM 0 HD11 ILE A 101 1.982 -0.711 0.953 1.00 0.22 H new ATOM 0 HD12 ILE A 101 1.056 -1.999 1.761 1.00 0.22 H new ATOM 0 HD13 ILE A 101 2.719 -2.311 1.209 1.00 0.22 H new ATOM 1544 N TYR A 102 -2.049 -4.197 -1.583 1.00 0.21 N ATOM 1545 CA TYR A 102 -3.417 -3.706 -1.594 1.00 0.22 C ATOM 1546 C TYR A 102 -3.927 -3.717 -0.158 1.00 0.22 C ATOM 1547 O TYR A 102 -4.254 -4.772 0.387 1.00 0.21 O ATOM 1548 CB TYR A 102 -4.292 -4.577 -2.504 1.00 0.21 C ATOM 1549 CG TYR A 102 -3.734 -5.966 -2.736 1.00 0.22 C ATOM 1550 CD1 TYR A 102 -2.800 -6.207 -3.741 1.00 0.22 C ATOM 1551 CD2 TYR A 102 -4.140 -7.034 -1.950 1.00 0.24 C ATOM 1552 CE1 TYR A 102 -2.292 -7.474 -3.950 1.00 0.25 C ATOM 1553 CE2 TYR A 102 -3.634 -8.302 -2.155 1.00 0.27 C ATOM 1554 CZ TYR A 102 -2.712 -8.517 -3.155 1.00 0.27 C ATOM 1555 OH TYR A 102 -2.206 -9.780 -3.361 1.00 0.31 O ATOM 0 H TYR A 102 -1.962 -5.176 -1.312 1.00 0.21 H new ATOM 0 HA TYR A 102 -3.457 -2.691 -1.990 1.00 0.22 H new ATOM 0 HB2 TYR A 102 -5.286 -4.663 -2.064 1.00 0.21 H new ATOM 0 HB3 TYR A 102 -4.411 -4.077 -3.465 1.00 0.21 H new ATOM 0 HD1 TYR A 102 -2.468 -5.391 -4.366 1.00 0.22 H new ATOM 0 HD2 TYR A 102 -4.864 -6.871 -1.165 1.00 0.24 H new ATOM 0 HE1 TYR A 102 -1.569 -7.646 -4.733 1.00 0.25 H new ATOM 0 HE2 TYR A 102 -3.960 -9.123 -1.533 1.00 0.27 H new ATOM 0 HH TYR A 102 -1.567 -9.759 -4.103 1.00 0.31 H new ATOM 1565 N VAL A 103 -3.987 -2.535 0.447 1.00 0.26 N ATOM 1566 CA VAL A 103 -4.387 -2.405 1.844 1.00 0.29 C ATOM 1567 C VAL A 103 -5.873 -2.106 2.034 1.00 0.29 C ATOM 1568 O VAL A 103 -6.306 -0.968 1.852 1.00 0.38 O ATOM 1569 CB VAL A 103 -3.580 -1.288 2.532 1.00 0.39 C ATOM 1570 CG1 VAL A 103 -3.906 -1.223 4.013 1.00 0.52 C ATOM 1571 CG2 VAL A 103 -2.091 -1.497 2.316 1.00 0.33 C ATOM 0 H VAL A 103 -3.763 -1.651 -0.010 1.00 0.26 H new ATOM 0 HA VAL A 103 -4.183 -3.376 2.295 1.00 0.29 H new ATOM 0 HB VAL A 103 -3.861 -0.335 2.083 1.00 0.39 H new ATOM 0 HG11 VAL A 103 -3.325 -0.427 4.479 1.00 0.52 H new ATOM 0 HG12 VAL A 103 -4.969 -1.020 4.143 1.00 0.52 H new ATOM 0 HG13 VAL A 103 -3.659 -2.175 4.482 1.00 0.52 H new ATOM 0 HG21 VAL A 103 -1.536 -0.699 2.809 1.00 0.33 H new ATOM 0 HG22 VAL A 103 -1.794 -2.458 2.736 1.00 0.33 H new ATOM 0 HG23 VAL A 103 -1.873 -1.485 1.248 1.00 0.33 H new ATOM 1581 N PRO A 104 -6.679 -3.123 2.401 1.00 0.28 N ATOM 1582 CA PRO A 104 -8.101 -2.931 2.667 1.00 0.34 C ATOM 1583 C PRO A 104 -8.320 -1.868 3.737 1.00 0.34 C ATOM 1584 O PRO A 104 -7.480 -1.683 4.617 1.00 0.31 O ATOM 1585 CB PRO A 104 -8.583 -4.297 3.176 1.00 0.39 C ATOM 1586 CG PRO A 104 -7.347 -5.083 3.454 1.00 0.48 C ATOM 1587 CD PRO A 104 -6.288 -4.534 2.546 1.00 0.33 C ATOM 0 HA PRO A 104 -8.639 -2.594 1.781 1.00 0.34 H new ATOM 0 HB2 PRO A 104 -9.188 -4.188 4.076 1.00 0.39 H new ATOM 0 HB3 PRO A 104 -9.205 -4.795 2.432 1.00 0.39 H new ATOM 0 HG2 PRO A 104 -7.052 -4.987 4.499 1.00 0.48 H new ATOM 0 HG3 PRO A 104 -7.510 -6.144 3.265 1.00 0.48 H new ATOM 0 HD2 PRO A 104 -5.293 -4.635 2.979 1.00 0.33 H new ATOM 0 HD3 PRO A 104 -6.272 -5.050 1.586 1.00 0.33 H new ATOM 1595 N SER A 105 -9.441 -1.170 3.651 1.00 0.45 N ATOM 1596 CA SER A 105 -9.772 -0.119 4.606 1.00 0.51 C ATOM 1597 C SER A 105 -9.604 -0.580 6.057 1.00 0.44 C ATOM 1598 O SER A 105 -9.041 0.137 6.885 1.00 0.48 O ATOM 1599 CB SER A 105 -11.213 0.340 4.384 1.00 0.66 C ATOM 1600 OG SER A 105 -12.069 -0.765 4.150 1.00 1.81 O ATOM 0 H SER A 105 -10.143 -1.312 2.925 1.00 0.45 H new ATOM 0 HA SER A 105 -9.079 0.706 4.438 1.00 0.51 H new ATOM 0 HB2 SER A 105 -11.560 0.895 5.256 1.00 0.66 H new ATOM 0 HB3 SER A 105 -11.254 1.022 3.535 1.00 0.66 H new ATOM 0 HG SER A 105 -12.985 -0.446 4.013 1.00 1.81 H new ATOM 1606 N GLY A 106 -10.065 -1.792 6.341 1.00 0.38 N ATOM 1607 CA GLY A 106 -10.015 -2.337 7.692 1.00 0.36 C ATOM 1608 C GLY A 106 -8.631 -2.378 8.323 1.00 0.36 C ATOM 1609 O GLY A 106 -8.508 -2.673 9.512 1.00 0.40 O ATOM 0 H GLY A 106 -10.479 -2.418 5.651 1.00 0.38 H new ATOM 0 HA2 GLY A 106 -10.670 -1.744 8.330 1.00 0.36 H new ATOM 0 HA3 GLY A 106 -10.419 -3.349 7.673 1.00 0.36 H new ATOM 1613 N LEU A 107 -7.589 -2.087 7.553 1.00 0.37 N ATOM 1614 CA LEU A 107 -6.227 -2.140 8.085 1.00 0.42 C ATOM 1615 C LEU A 107 -5.839 -0.868 8.850 1.00 0.45 C ATOM 1616 O LEU A 107 -5.082 -0.938 9.819 1.00 0.57 O ATOM 1617 CB LEU A 107 -5.237 -2.396 6.933 1.00 0.61 C ATOM 1618 CG LEU A 107 -3.747 -2.206 7.240 1.00 1.21 C ATOM 1619 CD1 LEU A 107 -3.382 -0.727 7.262 1.00 2.35 C ATOM 1620 CD2 LEU A 107 -3.372 -2.889 8.550 1.00 1.60 C ATOM 0 H LEU A 107 -7.655 -1.815 6.572 1.00 0.37 H new ATOM 0 HA LEU A 107 -6.186 -2.959 8.803 1.00 0.42 H new ATOM 0 HB2 LEU A 107 -5.383 -3.418 6.582 1.00 0.61 H new ATOM 0 HB3 LEU A 107 -5.500 -1.735 6.107 1.00 0.61 H new ATOM 0 HG LEU A 107 -3.172 -2.678 6.443 1.00 1.21 H new ATOM 0 HD11 LEU A 107 -2.320 -0.618 7.482 1.00 2.35 H new ATOM 0 HD12 LEU A 107 -3.599 -0.284 6.290 1.00 2.35 H new ATOM 0 HD13 LEU A 107 -3.966 -0.220 8.030 1.00 2.35 H new ATOM 0 HD21 LEU A 107 -2.310 -2.741 8.747 1.00 1.60 H new ATOM 0 HD22 LEU A 107 -3.955 -2.459 9.364 1.00 1.60 H new ATOM 0 HD23 LEU A 107 -3.582 -3.956 8.477 1.00 1.60 H new ATOM 1632 N ALA A 108 -6.367 0.282 8.455 1.00 0.45 N ATOM 1633 CA ALA A 108 -6.003 1.531 9.123 1.00 0.60 C ATOM 1634 C ALA A 108 -7.231 2.348 9.543 1.00 0.67 C ATOM 1635 O ALA A 108 -8.046 1.891 10.344 1.00 1.03 O ATOM 1636 CB ALA A 108 -5.088 2.345 8.218 1.00 0.66 C ATOM 0 H ALA A 108 -7.036 0.380 7.691 1.00 0.45 H new ATOM 0 HA ALA A 108 -5.473 1.279 10.041 1.00 0.60 H new ATOM 0 HB1 ALA A 108 -4.817 3.276 8.717 1.00 0.66 H new ATOM 0 HB2 ALA A 108 -4.186 1.773 8.003 1.00 0.66 H new ATOM 0 HB3 ALA A 108 -5.605 2.570 7.285 1.00 0.66 H new ATOM 1642 N TYR A 109 -7.352 3.559 8.994 1.00 0.54 N ATOM 1643 CA TYR A 109 -8.462 4.453 9.311 1.00 0.68 C ATOM 1644 C TYR A 109 -9.636 4.204 8.370 1.00 1.04 C ATOM 1645 O TYR A 109 -10.640 4.916 8.402 1.00 1.44 O ATOM 1646 CB TYR A 109 -7.999 5.907 9.189 1.00 0.59 C ATOM 1647 CG TYR A 109 -6.764 6.220 10.005 1.00 0.56 C ATOM 1648 CD1 TYR A 109 -6.872 6.568 11.344 1.00 0.72 C ATOM 1649 CD2 TYR A 109 -5.491 6.171 9.438 1.00 0.56 C ATOM 1650 CE1 TYR A 109 -5.752 6.858 12.100 1.00 0.98 C ATOM 1651 CE2 TYR A 109 -4.367 6.460 10.190 1.00 0.79 C ATOM 1652 CZ TYR A 109 -4.503 6.802 11.519 1.00 1.03 C ATOM 1653 OH TYR A 109 -3.386 7.093 12.269 1.00 1.35 O ATOM 0 H TYR A 109 -6.687 3.943 8.322 1.00 0.54 H new ATOM 0 HA TYR A 109 -8.789 4.258 10.332 1.00 0.68 H new ATOM 0 HB2 TYR A 109 -7.798 6.129 8.141 1.00 0.59 H new ATOM 0 HB3 TYR A 109 -8.809 6.565 9.504 1.00 0.59 H new ATOM 0 HD1 TYR A 109 -7.848 6.613 11.803 1.00 0.72 H new ATOM 0 HD2 TYR A 109 -5.381 5.904 8.397 1.00 0.56 H new ATOM 0 HE1 TYR A 109 -5.855 7.127 13.141 1.00 0.98 H new ATOM 0 HE2 TYR A 109 -3.387 6.418 9.738 1.00 0.79 H new ATOM 0 HH TYR A 109 -2.585 7.006 11.711 1.00 1.35 H new ATOM 1663 N GLY A 110 -9.480 3.190 7.532 1.00 1.04 N ATOM 1664 CA GLY A 110 -10.492 2.829 6.556 1.00 1.58 C ATOM 1665 C GLY A 110 -11.925 2.859 7.073 1.00 0.83 C ATOM 1666 O GLY A 110 -12.663 3.802 6.795 1.00 0.93 O ATOM 0 H GLY A 110 -8.650 2.597 7.511 1.00 1.04 H new ATOM 0 HA2 GLY A 110 -10.414 3.507 5.706 1.00 1.58 H new ATOM 0 HA3 GLY A 110 -10.276 1.827 6.185 1.00 1.58 H new ATOM 1670 N PRO A 111 -12.338 1.839 7.848 1.00 0.51 N ATOM 1671 CA PRO A 111 -13.711 1.721 8.365 1.00 0.83 C ATOM 1672 C PRO A 111 -14.176 2.932 9.164 1.00 1.02 C ATOM 1673 O PRO A 111 -15.356 3.041 9.497 1.00 1.49 O ATOM 1674 CB PRO A 111 -13.658 0.483 9.272 1.00 1.41 C ATOM 1675 CG PRO A 111 -12.208 0.230 9.506 1.00 1.39 C ATOM 1676 CD PRO A 111 -11.507 0.711 8.271 1.00 0.88 C ATOM 0 HA PRO A 111 -14.423 1.647 7.543 1.00 0.83 H new ATOM 0 HB2 PRO A 111 -14.183 0.660 10.211 1.00 1.41 H new ATOM 0 HB3 PRO A 111 -14.135 -0.374 8.797 1.00 1.41 H new ATOM 0 HG2 PRO A 111 -11.855 0.763 10.389 1.00 1.39 H new ATOM 0 HG3 PRO A 111 -12.018 -0.830 9.676 1.00 1.39 H new ATOM 0 HD2 PRO A 111 -10.483 1.019 8.481 1.00 0.88 H new ATOM 0 HD3 PRO A 111 -11.457 -0.064 7.506 1.00 0.88 H new ATOM 1684 N ARG A 112 -13.261 3.835 9.473 1.00 0.94 N ATOM 1685 CA ARG A 112 -13.621 5.033 10.215 1.00 1.23 C ATOM 1686 C ARG A 112 -14.245 6.051 9.271 1.00 0.85 C ATOM 1687 O ARG A 112 -13.785 6.224 8.142 1.00 0.72 O ATOM 1688 CB ARG A 112 -12.387 5.624 10.899 1.00 1.70 C ATOM 1689 CG ARG A 112 -11.669 4.634 11.799 1.00 2.18 C ATOM 1690 CD ARG A 112 -10.488 5.274 12.509 1.00 2.28 C ATOM 1691 NE ARG A 112 -9.774 4.315 13.347 1.00 2.49 N ATOM 1692 CZ ARG A 112 -8.807 4.651 14.195 1.00 2.87 C ATOM 1693 NH1 ARG A 112 -8.444 5.920 14.323 1.00 3.00 N ATOM 1694 NH2 ARG A 112 -8.201 3.717 14.916 1.00 3.51 N ATOM 0 H ARG A 112 -12.274 3.764 9.225 1.00 0.94 H new ATOM 0 HA ARG A 112 -14.347 4.772 10.985 1.00 1.23 H new ATOM 0 HB2 ARG A 112 -11.694 5.981 10.137 1.00 1.70 H new ATOM 0 HB3 ARG A 112 -12.687 6.490 11.489 1.00 1.70 H new ATOM 0 HG2 ARG A 112 -12.368 4.240 12.537 1.00 2.18 H new ATOM 0 HG3 ARG A 112 -11.322 3.788 11.206 1.00 2.18 H new ATOM 0 HD2 ARG A 112 -9.803 5.692 11.771 1.00 2.28 H new ATOM 0 HD3 ARG A 112 -10.839 6.103 13.124 1.00 2.28 H new ATOM 0 HE ARG A 112 -10.032 3.331 13.278 1.00 2.49 H new ATOM 0 HH11 ARG A 112 -8.907 6.641 13.770 1.00 3.00 H new ATOM 0 HH12 ARG A 112 -7.702 6.175 14.974 1.00 3.00 H new ATOM 0 HH21 ARG A 112 -8.477 2.740 14.820 1.00 3.51 H new ATOM 0 HH22 ARG A 112 -7.459 3.976 15.566 1.00 3.51 H new ATOM 1708 N SER A 113 -15.296 6.723 9.732 1.00 0.87 N ATOM 1709 CA SER A 113 -15.979 7.723 8.916 1.00 0.75 C ATOM 1710 C SER A 113 -15.031 8.858 8.561 1.00 0.91 C ATOM 1711 O SER A 113 -15.367 9.751 7.783 1.00 1.34 O ATOM 1712 CB SER A 113 -17.206 8.269 9.649 1.00 1.01 C ATOM 1713 OG SER A 113 -18.145 7.239 9.907 1.00 1.63 O ATOM 0 H SER A 113 -15.692 6.594 10.663 1.00 0.87 H new ATOM 0 HA SER A 113 -16.310 7.244 7.995 1.00 0.75 H new ATOM 0 HB2 SER A 113 -16.898 8.729 10.588 1.00 1.01 H new ATOM 0 HB3 SER A 113 -17.674 9.050 9.050 1.00 1.01 H new ATOM 0 HG SER A 113 -18.919 7.613 10.378 1.00 1.63 H new ATOM 1719 N VAL A 114 -13.845 8.804 9.146 1.00 1.07 N ATOM 1720 CA VAL A 114 -12.816 9.810 8.916 1.00 1.57 C ATOM 1721 C VAL A 114 -11.647 9.215 8.133 1.00 1.35 C ATOM 1722 O VAL A 114 -10.514 9.182 8.617 1.00 1.61 O ATOM 1723 CB VAL A 114 -12.298 10.396 10.245 1.00 2.24 C ATOM 1724 CG1 VAL A 114 -11.477 11.652 9.996 1.00 2.89 C ATOM 1725 CG2 VAL A 114 -13.455 10.685 11.191 1.00 2.90 C ATOM 0 H VAL A 114 -13.567 8.065 9.792 1.00 1.07 H new ATOM 0 HA VAL A 114 -13.269 10.613 8.334 1.00 1.57 H new ATOM 0 HB VAL A 114 -11.650 9.656 10.715 1.00 2.24 H new ATOM 0 HG11 VAL A 114 -11.122 12.049 10.947 1.00 2.89 H new ATOM 0 HG12 VAL A 114 -10.624 11.409 9.362 1.00 2.89 H new ATOM 0 HG13 VAL A 114 -12.096 12.399 9.500 1.00 2.89 H new ATOM 0 HG21 VAL A 114 -13.069 11.098 12.123 1.00 2.90 H new ATOM 0 HG22 VAL A 114 -14.132 11.404 10.729 1.00 2.90 H new ATOM 0 HG23 VAL A 114 -13.994 9.761 11.400 1.00 2.90 H new ATOM 1735 N GLY A 115 -11.933 8.734 6.928 1.00 1.05 N ATOM 1736 CA GLY A 115 -10.902 8.139 6.097 1.00 0.96 C ATOM 1737 C GLY A 115 -9.715 9.058 5.878 1.00 0.87 C ATOM 1738 O GLY A 115 -9.854 10.135 5.297 1.00 0.97 O ATOM 0 H GLY A 115 -12.864 8.746 6.511 1.00 1.05 H new ATOM 0 HA2 GLY A 115 -10.558 7.214 6.560 1.00 0.96 H new ATOM 0 HA3 GLY A 115 -11.331 7.871 5.131 1.00 0.96 H new ATOM 1742 N GLY A 116 -8.544 8.629 6.344 1.00 0.80 N ATOM 1743 CA GLY A 116 -7.343 9.428 6.182 1.00 0.80 C ATOM 1744 C GLY A 116 -6.828 9.408 4.752 1.00 0.70 C ATOM 1745 O GLY A 116 -7.508 9.897 3.849 1.00 0.75 O ATOM 0 H GLY A 116 -8.407 7.743 6.830 1.00 0.80 H new ATOM 0 HA2 GLY A 116 -7.551 10.457 6.477 1.00 0.80 H new ATOM 0 HA3 GLY A 116 -6.567 9.055 6.851 1.00 0.80 H new ATOM 1749 N PRO A 117 -5.626 8.849 4.503 1.00 0.62 N ATOM 1750 CA PRO A 117 -5.060 8.785 3.150 1.00 0.60 C ATOM 1751 C PRO A 117 -5.879 7.888 2.230 1.00 0.53 C ATOM 1752 O PRO A 117 -6.018 8.164 1.038 1.00 0.59 O ATOM 1753 CB PRO A 117 -3.664 8.194 3.371 1.00 0.57 C ATOM 1754 CG PRO A 117 -3.759 7.463 4.667 1.00 0.70 C ATOM 1755 CD PRO A 117 -4.730 8.242 5.506 1.00 0.59 C ATOM 0 HA PRO A 117 -5.048 9.761 2.665 1.00 0.60 H new ATOM 0 HB2 PRO A 117 -3.386 7.523 2.558 1.00 0.57 H new ATOM 0 HB3 PRO A 117 -2.906 8.976 3.413 1.00 0.57 H new ATOM 0 HG2 PRO A 117 -4.106 6.441 4.515 1.00 0.70 H new ATOM 0 HG3 PRO A 117 -2.785 7.400 5.153 1.00 0.70 H new ATOM 0 HD2 PRO A 117 -5.275 7.597 6.196 1.00 0.59 H new ATOM 0 HD3 PRO A 117 -4.227 8.999 6.107 1.00 0.59 H new ATOM 1763 N ILE A 118 -6.417 6.811 2.792 1.00 0.44 N ATOM 1764 CA ILE A 118 -7.242 5.877 2.034 1.00 0.40 C ATOM 1765 C ILE A 118 -8.712 6.275 2.124 1.00 0.43 C ATOM 1766 O ILE A 118 -9.200 6.618 3.200 1.00 0.50 O ATOM 1767 CB ILE A 118 -7.066 4.425 2.535 1.00 0.33 C ATOM 1768 CG1 ILE A 118 -5.614 3.977 2.360 1.00 0.28 C ATOM 1769 CG2 ILE A 118 -8.011 3.487 1.796 1.00 0.35 C ATOM 1770 CD1 ILE A 118 -5.316 2.626 2.976 1.00 1.25 C ATOM 0 H ILE A 118 -6.296 6.562 3.774 1.00 0.44 H new ATOM 0 HA ILE A 118 -6.915 5.921 0.995 1.00 0.40 H new ATOM 0 HB ILE A 118 -7.313 4.390 3.596 1.00 0.33 H new ATOM 0 HG12 ILE A 118 -5.380 3.941 1.296 1.00 0.28 H new ATOM 0 HG13 ILE A 118 -4.956 4.723 2.806 1.00 0.28 H new ATOM 0 HG21 ILE A 118 -7.873 2.469 2.162 1.00 0.35 H new ATOM 0 HG22 ILE A 118 -9.041 3.798 1.969 1.00 0.35 H new ATOM 0 HG23 ILE A 118 -7.796 3.521 0.728 1.00 0.35 H new ATOM 0 HD11 ILE A 118 -4.268 2.375 2.812 1.00 1.25 H new ATOM 0 HD12 ILE A 118 -5.518 2.662 4.047 1.00 1.25 H new ATOM 0 HD13 ILE A 118 -5.947 1.868 2.513 1.00 1.25 H new ATOM 1782 N GLY A 119 -9.408 6.240 0.988 1.00 0.43 N ATOM 1783 CA GLY A 119 -10.817 6.599 0.968 1.00 0.48 C ATOM 1784 C GLY A 119 -11.593 5.930 2.090 1.00 0.45 C ATOM 1785 O GLY A 119 -11.252 4.818 2.494 1.00 0.40 O ATOM 0 H GLY A 119 -9.022 5.970 0.083 1.00 0.43 H new ATOM 0 HA2 GLY A 119 -10.916 7.681 1.054 1.00 0.48 H new ATOM 0 HA3 GLY A 119 -11.250 6.315 0.009 1.00 0.48 H new ATOM 1789 N PRO A 120 -12.648 6.581 2.619 1.00 0.52 N ATOM 1790 CA PRO A 120 -13.444 6.016 3.712 1.00 0.56 C ATOM 1791 C PRO A 120 -14.001 4.644 3.361 1.00 0.51 C ATOM 1792 O PRO A 120 -14.612 4.463 2.307 1.00 0.48 O ATOM 1793 CB PRO A 120 -14.584 7.027 3.902 1.00 0.64 C ATOM 1794 CG PRO A 120 -14.577 7.869 2.671 1.00 0.67 C ATOM 1795 CD PRO A 120 -13.153 7.895 2.197 1.00 0.59 C ATOM 0 HA PRO A 120 -12.848 5.866 4.612 1.00 0.56 H new ATOM 0 HB2 PRO A 120 -15.541 6.521 4.026 1.00 0.64 H new ATOM 0 HB3 PRO A 120 -14.426 7.634 4.794 1.00 0.64 H new ATOM 0 HG2 PRO A 120 -15.235 7.451 1.909 1.00 0.67 H new ATOM 0 HG3 PRO A 120 -14.936 8.876 2.885 1.00 0.67 H new ATOM 0 HD2 PRO A 120 -13.088 8.026 1.117 1.00 0.59 H new ATOM 0 HD3 PRO A 120 -12.590 8.710 2.651 1.00 0.59 H new ATOM 1803 N ASN A 121 -13.797 3.687 4.265 1.00 0.55 N ATOM 1804 CA ASN A 121 -14.260 2.318 4.071 1.00 0.58 C ATOM 1805 C ASN A 121 -14.022 1.862 2.635 1.00 0.49 C ATOM 1806 O ASN A 121 -14.817 1.116 2.068 1.00 0.53 O ATOM 1807 CB ASN A 121 -15.748 2.238 4.415 1.00 0.68 C ATOM 1808 CG ASN A 121 -16.094 3.106 5.611 1.00 0.79 C ATOM 1809 OD1 ASN A 121 -15.263 3.329 6.488 1.00 1.12 O ATOM 1810 ND2 ASN A 121 -17.321 3.605 5.655 1.00 0.67 N ATOM 0 H ASN A 121 -13.309 3.840 5.147 1.00 0.55 H new ATOM 0 HA ASN A 121 -13.697 1.656 4.729 1.00 0.58 H new ATOM 0 HB2 ASN A 121 -16.338 2.552 3.554 1.00 0.68 H new ATOM 0 HB3 ASN A 121 -16.018 1.203 4.626 1.00 0.68 H new ATOM 0 HD21 ASN A 121 -17.603 4.197 6.436 1.00 0.67 H new ATOM 0 HD22 ASN A 121 -17.983 3.397 4.907 1.00 0.67 H new ATOM 1817 N GLU A 122 -12.916 2.319 2.057 1.00 0.40 N ATOM 1818 CA GLU A 122 -12.559 1.970 0.687 1.00 0.35 C ATOM 1819 C GLU A 122 -11.253 1.185 0.639 1.00 0.31 C ATOM 1820 O GLU A 122 -10.348 1.420 1.439 1.00 0.33 O ATOM 1821 CB GLU A 122 -12.449 3.235 -0.164 1.00 0.35 C ATOM 1822 CG GLU A 122 -12.311 2.963 -1.653 1.00 1.09 C ATOM 1823 CD GLU A 122 -12.728 4.148 -2.501 1.00 1.24 C ATOM 1824 OE1 GLU A 122 -12.044 5.190 -2.441 1.00 1.73 O ATOM 1825 OE2 GLU A 122 -13.743 4.036 -3.219 1.00 1.60 O ATOM 0 H GLU A 122 -12.248 2.936 2.520 1.00 0.40 H new ATOM 0 HA GLU A 122 -13.347 1.334 0.282 1.00 0.35 H new ATOM 0 HB2 GLU A 122 -13.332 3.852 0.003 1.00 0.35 H new ATOM 0 HB3 GLU A 122 -11.588 3.814 0.171 1.00 0.35 H new ATOM 0 HG2 GLU A 122 -11.276 2.706 -1.878 1.00 1.09 H new ATOM 0 HG3 GLU A 122 -12.919 2.098 -1.919 1.00 1.09 H new ATOM 1832 N THR A 123 -11.156 0.252 -0.305 1.00 0.26 N ATOM 1833 CA THR A 123 -9.948 -0.545 -0.460 1.00 0.24 C ATOM 1834 C THR A 123 -9.054 0.082 -1.519 1.00 0.22 C ATOM 1835 O THR A 123 -9.523 0.459 -2.591 1.00 0.24 O ATOM 1836 CB THR A 123 -10.259 -2.004 -0.845 1.00 0.25 C ATOM 1837 OG1 THR A 123 -11.075 -2.613 0.162 1.00 0.29 O ATOM 1838 CG2 THR A 123 -8.975 -2.804 -1.010 1.00 0.24 C ATOM 0 H THR A 123 -11.897 0.032 -0.970 1.00 0.26 H new ATOM 0 HA THR A 123 -9.438 -0.560 0.503 1.00 0.24 H new ATOM 0 HB THR A 123 -10.794 -2.000 -1.795 1.00 0.25 H new ATOM 0 HG1 THR A 123 -11.010 -3.588 0.090 1.00 0.29 H new ATOM 0 HG21 THR A 123 -9.219 -3.831 -1.282 1.00 0.24 H new ATOM 0 HG22 THR A 123 -8.365 -2.356 -1.795 1.00 0.24 H new ATOM 0 HG23 THR A 123 -8.420 -2.799 -0.072 1.00 0.24 H new ATOM 1846 N LEU A 124 -7.770 0.192 -1.220 1.00 0.20 N ATOM 1847 CA LEU A 124 -6.835 0.811 -2.146 1.00 0.19 C ATOM 1848 C LEU A 124 -5.715 -0.136 -2.563 1.00 0.17 C ATOM 1849 O LEU A 124 -5.393 -1.094 -1.862 1.00 0.18 O ATOM 1850 CB LEU A 124 -6.231 2.052 -1.496 1.00 0.23 C ATOM 1851 CG LEU A 124 -6.374 3.334 -2.307 1.00 0.47 C ATOM 1852 CD1 LEU A 124 -6.819 4.473 -1.409 1.00 1.15 C ATOM 1853 CD2 LEU A 124 -5.062 3.674 -2.993 1.00 1.47 C ATOM 0 H LEU A 124 -7.353 -0.137 -0.349 1.00 0.20 H new ATOM 0 HA LEU A 124 -7.390 1.077 -3.045 1.00 0.19 H new ATOM 0 HB2 LEU A 124 -6.700 2.200 -0.523 1.00 0.23 H new ATOM 0 HB3 LEU A 124 -5.172 1.870 -1.314 1.00 0.23 H new ATOM 0 HG LEU A 124 -7.132 3.182 -3.075 1.00 0.47 H new ATOM 0 HD11 LEU A 124 -6.918 5.384 -1.999 1.00 1.15 H new ATOM 0 HD12 LEU A 124 -7.780 4.227 -0.958 1.00 1.15 H new ATOM 0 HD13 LEU A 124 -6.079 4.628 -0.624 1.00 1.15 H new ATOM 0 HD21 LEU A 124 -5.180 4.592 -3.569 1.00 1.47 H new ATOM 0 HD22 LEU A 124 -4.284 3.814 -2.242 1.00 1.47 H new ATOM 0 HD23 LEU A 124 -4.779 2.861 -3.661 1.00 1.47 H new ATOM 1865 N ILE A 125 -5.133 0.154 -3.722 1.00 0.15 N ATOM 1866 CA ILE A 125 -4.022 -0.616 -4.256 1.00 0.14 C ATOM 1867 C ILE A 125 -2.773 0.250 -4.285 1.00 0.13 C ATOM 1868 O ILE A 125 -2.859 1.464 -4.471 1.00 0.16 O ATOM 1869 CB ILE A 125 -4.305 -1.113 -5.685 1.00 0.14 C ATOM 1870 CG1 ILE A 125 -5.651 -1.821 -5.738 1.00 0.17 C ATOM 1871 CG2 ILE A 125 -3.195 -2.041 -6.158 1.00 0.17 C ATOM 1872 CD1 ILE A 125 -6.819 -0.894 -5.998 1.00 0.20 C ATOM 0 H ILE A 125 -5.421 0.931 -4.316 1.00 0.15 H new ATOM 0 HA ILE A 125 -3.881 -1.482 -3.609 1.00 0.14 H new ATOM 0 HB ILE A 125 -4.338 -0.252 -6.352 1.00 0.14 H new ATOM 0 HG12 ILE A 125 -5.621 -2.580 -6.519 1.00 0.17 H new ATOM 0 HG13 ILE A 125 -5.815 -2.341 -4.794 1.00 0.17 H new ATOM 0 HG21 ILE A 125 -3.413 -2.382 -7.170 1.00 0.17 H new ATOM 0 HG22 ILE A 125 -2.246 -1.505 -6.152 1.00 0.17 H new ATOM 0 HG23 ILE A 125 -3.131 -2.901 -5.491 1.00 0.17 H new ATOM 0 HD11 ILE A 125 -7.743 -1.471 -6.022 1.00 0.20 H new ATOM 0 HD12 ILE A 125 -6.876 -0.150 -5.204 1.00 0.20 H new ATOM 0 HD13 ILE A 125 -6.680 -0.393 -6.956 1.00 0.20 H new ATOM 1884 N PHE A 126 -1.615 -0.368 -4.105 1.00 0.13 N ATOM 1885 CA PHE A 126 -0.365 0.376 -4.096 1.00 0.14 C ATOM 1886 C PHE A 126 0.743 -0.373 -4.824 1.00 0.14 C ATOM 1887 O PHE A 126 0.959 -1.564 -4.602 1.00 0.16 O ATOM 1888 CB PHE A 126 0.064 0.654 -2.655 1.00 0.16 C ATOM 1889 CG PHE A 126 -0.931 1.464 -1.873 1.00 0.16 C ATOM 1890 CD1 PHE A 126 -1.090 2.818 -2.119 1.00 0.19 C ATOM 1891 CD2 PHE A 126 -1.704 0.871 -0.887 1.00 0.18 C ATOM 1892 CE1 PHE A 126 -2.000 3.565 -1.395 1.00 0.23 C ATOM 1893 CE2 PHE A 126 -2.615 1.613 -0.160 1.00 0.22 C ATOM 1894 CZ PHE A 126 -2.763 2.962 -0.414 1.00 0.24 C ATOM 0 H PHE A 126 -1.515 -1.373 -3.964 1.00 0.13 H new ATOM 0 HA PHE A 126 -0.535 1.316 -4.620 1.00 0.14 H new ATOM 0 HB2 PHE A 126 0.227 -0.295 -2.145 1.00 0.16 H new ATOM 0 HB3 PHE A 126 1.019 1.179 -2.665 1.00 0.16 H new ATOM 0 HD1 PHE A 126 -0.496 3.295 -2.885 1.00 0.19 H new ATOM 0 HD2 PHE A 126 -1.593 -0.184 -0.685 1.00 0.18 H new ATOM 0 HE1 PHE A 126 -2.115 4.620 -1.596 1.00 0.23 H new ATOM 0 HE2 PHE A 126 -3.210 1.138 0.606 1.00 0.22 H new ATOM 0 HZ PHE A 126 -3.474 3.545 0.153 1.00 0.24 H new ATOM 1904 N LYS A 127 1.442 0.343 -5.698 1.00 0.14 N ATOM 1905 CA LYS A 127 2.555 -0.223 -6.448 1.00 0.15 C ATOM 1906 C LYS A 127 3.846 0.410 -5.951 1.00 0.16 C ATOM 1907 O LYS A 127 4.158 1.548 -6.293 1.00 0.19 O ATOM 1908 CB LYS A 127 2.374 0.040 -7.948 1.00 0.18 C ATOM 1909 CG LYS A 127 3.091 -0.962 -8.845 1.00 0.89 C ATOM 1910 CD LYS A 127 4.604 -0.870 -8.710 1.00 1.23 C ATOM 1911 CE LYS A 127 5.307 -1.735 -9.743 1.00 1.62 C ATOM 1912 NZ LYS A 127 5.102 -1.226 -11.126 1.00 2.28 N ATOM 0 H LYS A 127 1.255 1.324 -5.905 1.00 0.14 H new ATOM 0 HA LYS A 127 2.592 -1.302 -6.297 1.00 0.15 H new ATOM 0 HB2 LYS A 127 1.310 0.025 -8.183 1.00 0.18 H new ATOM 0 HB3 LYS A 127 2.737 1.042 -8.177 1.00 0.18 H new ATOM 0 HG2 LYS A 127 2.766 -1.971 -8.593 1.00 0.89 H new ATOM 0 HG3 LYS A 127 2.809 -0.786 -9.883 1.00 0.89 H new ATOM 0 HD2 LYS A 127 4.919 0.167 -8.827 1.00 1.23 H new ATOM 0 HD3 LYS A 127 4.901 -1.182 -7.709 1.00 1.23 H new ATOM 0 HE2 LYS A 127 6.374 -1.768 -9.523 1.00 1.62 H new ATOM 0 HE3 LYS A 127 4.935 -2.757 -9.674 1.00 1.62 H new ATOM 0 HZ1 LYS A 127 5.809 -1.650 -11.760 1.00 2.28 H new ATOM 0 HZ2 LYS A 127 4.148 -1.481 -11.452 1.00 2.28 H new ATOM 0 HZ3 LYS A 127 5.206 -0.191 -11.134 1.00 2.28 H new ATOM 1926 N ILE A 128 4.606 -0.336 -5.158 1.00 0.16 N ATOM 1927 CA ILE A 128 5.838 0.189 -4.588 1.00 0.19 C ATOM 1928 C ILE A 128 7.073 -0.307 -5.314 1.00 0.18 C ATOM 1929 O ILE A 128 7.268 -1.508 -5.500 1.00 0.22 O ATOM 1930 CB ILE A 128 5.979 -0.179 -3.096 1.00 0.23 C ATOM 1931 CG1 ILE A 128 4.782 0.333 -2.293 1.00 0.31 C ATOM 1932 CG2 ILE A 128 7.268 0.391 -2.528 1.00 0.27 C ATOM 1933 CD1 ILE A 128 3.552 -0.531 -2.420 1.00 0.82 C ATOM 0 H ILE A 128 4.392 -1.299 -4.897 1.00 0.16 H new ATOM 0 HA ILE A 128 5.768 1.271 -4.701 1.00 0.19 H new ATOM 0 HB ILE A 128 6.008 -1.266 -3.018 1.00 0.23 H new ATOM 0 HG12 ILE A 128 5.062 0.398 -1.242 1.00 0.31 H new ATOM 0 HG13 ILE A 128 4.541 1.344 -2.622 1.00 0.31 H new ATOM 0 HG21 ILE A 128 7.352 0.122 -1.475 1.00 0.27 H new ATOM 0 HG22 ILE A 128 8.118 -0.016 -3.075 1.00 0.27 H new ATOM 0 HG23 ILE A 128 7.260 1.477 -2.626 1.00 0.27 H new ATOM 0 HD11 ILE A 128 2.745 -0.105 -1.823 1.00 0.82 H new ATOM 0 HD12 ILE A 128 3.246 -0.576 -3.465 1.00 0.82 H new ATOM 0 HD13 ILE A 128 3.775 -1.537 -2.063 1.00 0.82 H new ATOM 1945 N HIS A 129 7.902 0.641 -5.721 1.00 0.15 N ATOM 1946 CA HIS A 129 9.149 0.332 -6.388 1.00 0.15 C ATOM 1947 C HIS A 129 10.294 0.863 -5.540 1.00 0.15 C ATOM 1948 O HIS A 129 10.606 2.054 -5.574 1.00 0.15 O ATOM 1949 CB HIS A 129 9.181 0.946 -7.788 1.00 0.15 C ATOM 1950 CG HIS A 129 9.713 0.010 -8.827 1.00 0.17 C ATOM 1951 ND1 HIS A 129 10.713 -0.899 -8.766 1.00 0.22 N flip ATOM 1952 CD2 HIS A 129 9.191 -0.082 -10.098 1.00 0.20 C flip ATOM 1953 CE1 HIS A 129 10.777 -1.525 -9.989 1.00 0.26 C flip ATOM 1954 NE2 HIS A 129 9.847 -1.009 -10.773 1.00 0.26 N flip ATOM 0 H HIS A 129 7.728 1.638 -5.598 1.00 0.15 H new ATOM 0 HA HIS A 129 9.247 -0.747 -6.503 1.00 0.15 H new ATOM 0 HB2 HIS A 129 8.173 1.254 -8.067 1.00 0.15 H new ATOM 0 HB3 HIS A 129 9.795 1.846 -7.770 1.00 0.15 H new ATOM 0 HD2 HIS A 129 8.374 0.510 -10.482 1.00 0.20 H new ATOM 0 HE1 HIS A 129 11.470 -2.307 -10.262 1.00 0.26 H new ATOM 0 HE2 HIS A 129 9.666 -1.281 -11.739 1.00 0.26 H new ATOM 1963 N LEU A 130 10.921 -0.027 -4.782 1.00 0.16 N ATOM 1964 CA LEU A 130 12.012 0.366 -3.899 1.00 0.17 C ATOM 1965 C LEU A 130 13.305 0.566 -4.679 1.00 0.17 C ATOM 1966 O LEU A 130 13.787 -0.345 -5.349 1.00 0.25 O ATOM 1967 CB LEU A 130 12.221 -0.697 -2.811 1.00 0.22 C ATOM 1968 CG LEU A 130 12.527 -0.165 -1.403 1.00 0.46 C ATOM 1969 CD1 LEU A 130 13.478 1.024 -1.454 1.00 1.36 C ATOM 1970 CD2 LEU A 130 11.239 0.205 -0.685 1.00 1.41 C ATOM 0 H LEU A 130 10.695 -1.021 -4.760 1.00 0.16 H new ATOM 0 HA LEU A 130 11.742 1.313 -3.432 1.00 0.17 H new ATOM 0 HB2 LEU A 130 11.325 -1.316 -2.758 1.00 0.22 H new ATOM 0 HB3 LEU A 130 13.040 -1.348 -3.118 1.00 0.22 H new ATOM 0 HG LEU A 130 13.022 -0.959 -0.843 1.00 0.46 H new ATOM 0 HD11 LEU A 130 13.674 1.377 -0.441 1.00 1.36 H new ATOM 0 HD12 LEU A 130 14.415 0.721 -1.921 1.00 1.36 H new ATOM 0 HD13 LEU A 130 13.026 1.827 -2.037 1.00 1.36 H new ATOM 0 HD21 LEU A 130 11.473 0.580 0.311 1.00 1.41 H new ATOM 0 HD22 LEU A 130 10.716 0.977 -1.250 1.00 1.41 H new ATOM 0 HD23 LEU A 130 10.603 -0.676 -0.601 1.00 1.41 H new ATOM 1982 N ILE A 131 13.850 1.777 -4.598 1.00 0.13 N ATOM 1983 CA ILE A 131 15.093 2.103 -5.285 1.00 0.15 C ATOM 1984 C ILE A 131 16.289 1.930 -4.358 1.00 0.17 C ATOM 1985 O ILE A 131 17.222 1.188 -4.668 1.00 0.22 O ATOM 1986 CB ILE A 131 15.072 3.546 -5.831 1.00 0.18 C ATOM 1987 CG1 ILE A 131 13.903 3.735 -6.805 1.00 0.16 C ATOM 1988 CG2 ILE A 131 16.396 3.883 -6.505 1.00 0.26 C ATOM 1989 CD1 ILE A 131 13.964 2.827 -8.019 1.00 1.17 C ATOM 0 H ILE A 131 13.449 2.548 -4.063 1.00 0.13 H new ATOM 0 HA ILE A 131 15.187 1.413 -6.123 1.00 0.15 H new ATOM 0 HB ILE A 131 14.933 4.230 -4.993 1.00 0.18 H new ATOM 0 HG12 ILE A 131 12.968 3.555 -6.275 1.00 0.16 H new ATOM 0 HG13 ILE A 131 13.885 4.772 -7.139 1.00 0.16 H new ATOM 0 HG21 ILE A 131 16.362 4.905 -6.884 1.00 0.26 H new ATOM 0 HG22 ILE A 131 17.206 3.791 -5.782 1.00 0.26 H new ATOM 0 HG23 ILE A 131 16.568 3.195 -7.333 1.00 0.26 H new ATOM 0 HD11 ILE A 131 13.104 3.019 -8.661 1.00 1.17 H new ATOM 0 HD12 ILE A 131 14.882 3.022 -8.574 1.00 1.17 H new ATOM 0 HD13 ILE A 131 13.950 1.786 -7.696 1.00 1.17 H new ATOM 2001 N SER A 132 16.258 2.619 -3.221 1.00 0.17 N ATOM 2002 CA SER A 132 17.346 2.533 -2.256 1.00 0.20 C ATOM 2003 C SER A 132 16.920 3.064 -0.889 1.00 0.22 C ATOM 2004 O SER A 132 15.901 3.744 -0.762 1.00 0.23 O ATOM 2005 CB SER A 132 18.560 3.310 -2.759 1.00 0.23 C ATOM 2006 OG SER A 132 18.300 4.703 -2.796 1.00 1.17 O ATOM 0 H SER A 132 15.496 3.239 -2.948 1.00 0.17 H new ATOM 0 HA SER A 132 17.611 1.481 -2.145 1.00 0.20 H new ATOM 0 HB2 SER A 132 19.414 3.114 -2.111 1.00 0.23 H new ATOM 0 HB3 SER A 132 18.830 2.962 -3.756 1.00 0.23 H new ATOM 0 HG SER A 132 19.095 5.176 -3.120 1.00 1.17 H new ATOM 2012 N VAL A 133 17.713 2.746 0.131 1.00 0.25 N ATOM 2013 CA VAL A 133 17.437 3.188 1.495 1.00 0.29 C ATOM 2014 C VAL A 133 18.420 4.267 1.930 1.00 0.41 C ATOM 2015 O VAL A 133 19.633 4.084 1.835 1.00 0.57 O ATOM 2016 CB VAL A 133 17.513 2.018 2.493 1.00 0.45 C ATOM 2017 CG1 VAL A 133 18.883 1.361 2.448 1.00 1.16 C ATOM 2018 CG2 VAL A 133 17.190 2.506 3.899 1.00 1.43 C ATOM 0 H VAL A 133 18.557 2.180 0.037 1.00 0.25 H new ATOM 0 HA VAL A 133 16.425 3.593 1.495 1.00 0.29 H new ATOM 0 HB VAL A 133 16.774 1.269 2.209 1.00 0.45 H new ATOM 0 HG11 VAL A 133 18.915 0.537 3.161 1.00 1.16 H new ATOM 0 HG12 VAL A 133 19.071 0.980 1.444 1.00 1.16 H new ATOM 0 HG13 VAL A 133 19.647 2.094 2.707 1.00 1.16 H new ATOM 0 HG21 VAL A 133 17.247 1.670 4.596 1.00 1.43 H new ATOM 0 HG22 VAL A 133 17.908 3.272 4.192 1.00 1.43 H new ATOM 0 HG23 VAL A 133 16.184 2.925 3.916 1.00 1.43 H new ATOM 2028 N LYS A 134 17.889 5.389 2.406 1.00 0.41 N ATOM 2029 CA LYS A 134 18.723 6.495 2.862 1.00 0.58 C ATOM 2030 C LYS A 134 19.845 6.772 1.868 1.00 0.68 C ATOM 2031 O LYS A 134 19.687 6.566 0.665 1.00 1.28 O ATOM 2032 CB LYS A 134 19.301 6.172 4.242 1.00 0.69 C ATOM 2033 CG LYS A 134 19.255 7.345 5.206 1.00 1.69 C ATOM 2034 CD LYS A 134 20.082 7.074 6.454 1.00 1.90 C ATOM 2035 CE LYS A 134 20.077 8.270 7.396 1.00 2.62 C ATOM 2036 NZ LYS A 134 18.718 8.551 7.935 1.00 3.08 N ATOM 0 H LYS A 134 16.886 5.556 2.486 1.00 0.41 H new ATOM 0 HA LYS A 134 18.107 7.391 2.934 1.00 0.58 H new ATOM 0 HB2 LYS A 134 18.749 5.336 4.672 1.00 0.69 H new ATOM 0 HB3 LYS A 134 20.335 5.846 4.127 1.00 0.69 H new ATOM 0 HG2 LYS A 134 19.627 8.241 4.709 1.00 1.69 H new ATOM 0 HG3 LYS A 134 18.221 7.544 5.489 1.00 1.69 H new ATOM 0 HD2 LYS A 134 19.686 6.200 6.971 1.00 1.90 H new ATOM 0 HD3 LYS A 134 21.107 6.838 6.169 1.00 1.90 H new ATOM 0 HE2 LYS A 134 20.763 8.083 8.222 1.00 2.62 H new ATOM 0 HE3 LYS A 134 20.446 9.149 6.868 1.00 2.62 H new ATOM 0 HZ1 LYS A 134 18.785 9.257 8.695 1.00 3.08 H new ATOM 0 HZ2 LYS A 134 18.112 8.918 7.174 1.00 3.08 H new ATOM 0 HZ3 LYS A 134 18.306 7.674 8.313 1.00 3.08 H new ATOM 2050 N LYS A 135 20.974 7.244 2.376 1.00 0.95 N ATOM 2051 CA LYS A 135 22.123 7.542 1.532 1.00 1.05 C ATOM 2052 C LYS A 135 22.670 6.272 0.885 1.00 0.97 C ATOM 2053 O LYS A 135 23.585 6.328 0.062 1.00 0.99 O ATOM 2054 CB LYS A 135 23.221 8.226 2.347 1.00 1.19 C ATOM 2055 CG LYS A 135 22.749 9.464 3.094 1.00 1.67 C ATOM 2056 CD LYS A 135 22.257 10.540 2.140 1.00 2.16 C ATOM 2057 CE LYS A 135 21.780 11.774 2.891 1.00 2.86 C ATOM 2058 NZ LYS A 135 22.875 12.393 3.688 1.00 3.16 N ATOM 0 H LYS A 135 21.120 7.429 3.368 1.00 0.95 H new ATOM 0 HA LYS A 135 21.793 8.217 0.742 1.00 1.05 H new ATOM 0 HB2 LYS A 135 23.626 7.512 3.064 1.00 1.19 H new ATOM 0 HB3 LYS A 135 24.036 8.505 1.679 1.00 1.19 H new ATOM 0 HG2 LYS A 135 21.947 9.192 3.781 1.00 1.67 H new ATOM 0 HG3 LYS A 135 23.566 9.859 3.698 1.00 1.67 H new ATOM 0 HD2 LYS A 135 23.060 10.816 1.456 1.00 2.16 H new ATOM 0 HD3 LYS A 135 21.443 10.145 1.533 1.00 2.16 H new ATOM 0 HE2 LYS A 135 21.390 12.503 2.181 1.00 2.86 H new ATOM 0 HE3 LYS A 135 20.958 11.502 3.553 1.00 2.86 H new ATOM 0 HZ1 LYS A 135 22.588 13.346 3.991 1.00 3.16 H new ATOM 0 HZ2 LYS A 135 23.069 11.807 4.525 1.00 3.16 H new ATOM 0 HZ3 LYS A 135 23.734 12.459 3.105 1.00 3.16 H new ATOM 2072 N SER A 136 22.103 5.129 1.273 1.00 0.99 N ATOM 2073 CA SER A 136 22.519 3.833 0.740 1.00 0.96 C ATOM 2074 C SER A 136 23.952 3.508 1.152 1.00 1.03 C ATOM 2075 O SER A 136 24.892 3.726 0.389 1.00 1.31 O ATOM 2076 CB SER A 136 22.392 3.812 -0.787 1.00 0.95 C ATOM 2077 OG SER A 136 22.707 2.533 -1.308 1.00 1.19 O ATOM 0 H SER A 136 21.350 5.076 1.959 1.00 0.99 H new ATOM 0 HA SER A 136 21.860 3.072 1.157 1.00 0.96 H new ATOM 0 HB2 SER A 136 21.377 4.085 -1.074 1.00 0.95 H new ATOM 0 HB3 SER A 136 23.057 4.559 -1.221 1.00 0.95 H new ATOM 0 HG SER A 136 22.617 2.546 -2.284 1.00 1.19 H new ATOM 2083 N SER A 137 24.103 2.984 2.369 1.00 0.91 N ATOM 2084 CA SER A 137 25.414 2.618 2.904 1.00 1.03 C ATOM 2085 C SER A 137 26.429 3.742 2.708 1.00 1.82 C ATOM 2086 O SER A 137 26.483 4.645 3.570 1.00 2.51 O ATOM 2087 CB SER A 137 25.918 1.327 2.253 1.00 1.57 C ATOM 2088 OG SER A 137 26.056 1.477 0.850 1.00 2.37 O ATOM 2089 OXT SER A 137 27.164 3.709 1.698 1.00 2.53 O ATOM 0 H SER A 137 23.327 2.803 3.006 1.00 0.91 H new ATOM 0 HA SER A 137 25.301 2.451 3.975 1.00 1.03 H new ATOM 0 HB2 SER A 137 26.878 1.049 2.687 1.00 1.57 H new ATOM 0 HB3 SER A 137 25.224 0.514 2.467 1.00 1.57 H new ATOM 0 HG SER A 137 26.130 2.429 0.628 1.00 2.37 H new TER 2095 SER A 137