USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1037 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: B 23 TYR OH : rot 180:sc= 1.09 USER MOD Set 1.2: B 27 GLN : amide:sc= -0.188 K(o=2.1,f=1.4) USER MOD Set 1.3: B 64 SER OG : rot 70:sc= 1.21 USER MOD Set 2.1: A 23 TYR OH : rot 180:sc= 1.06 USER MOD Set 2.2: A 27 GLN : amide:sc= -0.227 K(o=2,f=1.4) USER MOD Set 2.3: A 64 SER OG : rot 85:sc= 1.2 USER MOD Single : A 17 ASN : amide:sc= 1.36 K(o=1.4,f=-0.57) USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= 0.613 (180deg=0.511) USER MOD Single : A 19 LYS NZ :NH3+ 145:sc= -1.07 (180deg=-3.87!) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.284 K(o=-0.28,f=-1.1) USER MOD Single : A 35 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=-0.016) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.12! F(o=-2,f=-1.1!) USER MOD Single : A 45 SER OG : rot 73:sc= 1.24 USER MOD Single : A 51 GLN : amide:sc= -0.0453 K(o=-0.045,f=-3.3!) USER MOD Single : A 52 CYS SG : rot 66:sc= -0.972! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00115 USER MOD Single : A 70 GLN :FLIP amide:sc= -4.3! C(o=-5.3!,f=-4.3!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00539 USER MOD Single : A 81 THR OG1 : rot -41:sc= 0.117 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 MET CE :methyl 165:sc= -0.189 (180deg=-0.683) USER MOD Single : B 17 ASN : amide:sc= 1.28 K(o=1.3,f=-0.62) USER MOD Single : B 18 LYS NZ :NH3+ -178:sc= 0.811 (180deg=0.75) USER MOD Single : B 19 LYS NZ :NH3+ 146:sc= -1.06 (180deg=-3.65!) USER MOD Single : B 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 32 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.2) USER MOD Single : B 35 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=-0.011) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 180:sc= 0.00377 USER MOD Single : B 43 GLN :FLIP amide:sc= -1.12! F(o=-1.9,f=-1.1!) USER MOD Single : B 45 SER OG : rot 97:sc= 1.27 USER MOD Single : B 51 GLN : amide:sc= -0.0546 K(o=-0.055,f=-3.3!) USER MOD Single : B 52 CYS SG : rot 60:sc= -0.943! USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 GLN :FLIP amide:sc= -4.66! C(o=-5.4!,f=-4.7!) USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.00923 USER MOD Single : B 81 THR OG1 : rot -45:sc= 0.115 USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 16 14.786 3.528 -3.483 1.00 1.26 N ATOM 21 CA ASP A 16 13.417 3.376 -3.958 1.00 1.13 C ATOM 22 C ASP A 16 12.436 3.984 -2.962 1.00 0.92 C ATOM 23 O ASP A 16 12.545 3.766 -1.756 1.00 1.01 O ATOM 24 CB ASP A 16 13.102 1.894 -4.180 1.00 1.39 C ATOM 25 CG ASP A 16 11.663 1.657 -4.586 1.00 1.84 C ATOM 26 OD1 ASP A 16 11.334 1.868 -5.774 1.00 2.40 O ATOM 27 OD2 ASP A 16 10.858 1.254 -3.723 1.00 2.28 O ATOM 0 HA ASP A 16 13.314 3.904 -4.906 1.00 1.13 H new ATOM 0 HB2 ASP A 16 13.763 1.498 -4.951 1.00 1.39 H new ATOM 0 HB3 ASP A 16 13.313 1.341 -3.265 1.00 1.39 H new ATOM 32 N ASN A 17 11.488 4.755 -3.477 1.00 0.78 N ATOM 33 CA ASN A 17 10.515 5.449 -2.637 1.00 0.74 C ATOM 34 C ASN A 17 9.371 4.521 -2.242 1.00 0.61 C ATOM 35 O ASN A 17 8.738 4.710 -1.208 1.00 0.65 O ATOM 36 CB ASN A 17 9.946 6.661 -3.383 1.00 0.92 C ATOM 37 CG ASN A 17 9.084 7.550 -2.504 1.00 1.56 C ATOM 38 OD1 ASN A 17 9.351 7.718 -1.313 1.00 2.52 O ATOM 39 ND2 ASN A 17 8.040 8.121 -3.084 1.00 1.71 N ATOM 0 H ASN A 17 11.370 4.918 -4.477 1.00 0.78 H new ATOM 0 HA ASN A 17 11.028 5.779 -1.733 1.00 0.74 H new ATOM 0 HB2 ASN A 17 10.769 7.250 -3.789 1.00 0.92 H new ATOM 0 HB3 ASN A 17 9.354 6.314 -4.230 1.00 0.92 H new ATOM 0 HD21 ASN A 17 7.423 8.725 -2.542 1.00 1.71 H new ATOM 0 HD22 ASN A 17 7.853 7.957 -4.073 1.00 1.71 H new ATOM 46 N LYS A 18 9.125 3.505 -3.060 1.00 0.59 N ATOM 47 CA LYS A 18 7.968 2.638 -2.874 1.00 0.62 C ATOM 48 C LYS A 18 8.099 1.800 -1.608 1.00 0.53 C ATOM 49 O LYS A 18 7.163 1.716 -0.813 1.00 0.48 O ATOM 50 CB LYS A 18 7.773 1.730 -4.091 1.00 0.82 C ATOM 51 CG LYS A 18 7.626 2.488 -5.400 1.00 1.09 C ATOM 52 CD LYS A 18 6.511 3.521 -5.338 1.00 1.04 C ATOM 53 CE LYS A 18 6.405 4.302 -6.638 1.00 1.44 C ATOM 54 NZ LYS A 18 7.642 5.070 -6.935 1.00 1.90 N ATOM 0 H LYS A 18 9.711 3.261 -3.858 1.00 0.59 H new ATOM 0 HA LYS A 18 7.091 3.277 -2.767 1.00 0.62 H new ATOM 0 HB2 LYS A 18 8.623 1.052 -4.167 1.00 0.82 H new ATOM 0 HB3 LYS A 18 6.887 1.114 -3.936 1.00 0.82 H new ATOM 0 HG2 LYS A 18 8.567 2.984 -5.639 1.00 1.09 H new ATOM 0 HG3 LYS A 18 7.423 1.783 -6.206 1.00 1.09 H new ATOM 0 HD2 LYS A 18 5.563 3.024 -5.132 1.00 1.04 H new ATOM 0 HD3 LYS A 18 6.696 4.209 -4.513 1.00 1.04 H new ATOM 0 HE2 LYS A 18 6.202 3.613 -7.458 1.00 1.44 H new ATOM 0 HE3 LYS A 18 5.559 4.987 -6.580 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 7.499 5.639 -7.794 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 7.861 5.698 -6.136 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 8.433 4.411 -7.084 1.00 1.90 H new ATOM 68 N LYS A 19 9.263 1.187 -1.425 1.00 0.60 N ATOM 69 CA LYS A 19 9.528 0.391 -0.231 1.00 0.61 C ATOM 70 C LYS A 19 9.377 1.236 1.033 1.00 0.53 C ATOM 71 O LYS A 19 8.764 0.799 2.004 1.00 0.55 O ATOM 72 CB LYS A 19 10.928 -0.245 -0.304 1.00 0.77 C ATOM 73 CG LYS A 19 12.023 0.723 -0.721 1.00 0.82 C ATOM 74 CD LYS A 19 13.383 0.047 -0.804 1.00 1.19 C ATOM 75 CE LYS A 19 14.071 -0.040 0.551 1.00 1.06 C ATOM 76 NZ LYS A 19 13.399 -0.979 1.483 1.00 1.49 N ATOM 0 H LYS A 19 10.038 1.225 -2.087 1.00 0.60 H new ATOM 0 HA LYS A 19 8.792 -0.411 -0.186 1.00 0.61 H new ATOM 0 HB2 LYS A 19 11.178 -0.663 0.671 1.00 0.77 H new ATOM 0 HB3 LYS A 19 10.903 -1.076 -1.009 1.00 0.77 H new ATOM 0 HG2 LYS A 19 11.774 1.156 -1.690 1.00 0.82 H new ATOM 0 HG3 LYS A 19 12.070 1.545 -0.007 1.00 0.82 H new ATOM 0 HD2 LYS A 19 13.263 -0.956 -1.213 1.00 1.19 H new ATOM 0 HD3 LYS A 19 14.019 0.599 -1.496 1.00 1.19 H new ATOM 0 HE2 LYS A 19 15.104 -0.356 0.408 1.00 1.06 H new ATOM 0 HE3 LYS A 19 14.100 0.952 1.002 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 14.113 -1.453 2.073 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 12.741 -0.452 2.092 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 12.872 -1.691 0.938 1.00 1.49 H new ATOM 90 N ARG A 20 9.886 2.461 0.985 1.00 0.54 N ATOM 91 CA ARG A 20 9.883 3.347 2.147 1.00 0.58 C ATOM 92 C ARG A 20 8.482 3.886 2.424 1.00 0.54 C ATOM 93 O ARG A 20 8.043 3.957 3.575 1.00 0.61 O ATOM 94 CB ARG A 20 10.848 4.507 1.915 1.00 0.70 C ATOM 95 CG ARG A 20 12.245 4.058 1.527 1.00 0.82 C ATOM 96 CD ARG A 20 13.140 5.244 1.205 1.00 1.01 C ATOM 97 NE ARG A 20 13.455 6.027 2.400 1.00 1.31 N ATOM 98 CZ ARG A 20 13.703 7.337 2.402 1.00 1.45 C ATOM 99 NH1 ARG A 20 13.616 8.043 1.283 1.00 1.32 N ATOM 100 NH2 ARG A 20 14.025 7.941 3.536 1.00 2.34 N ATOM 0 H ARG A 20 10.309 2.867 0.150 1.00 0.54 H new ATOM 0 HA ARG A 20 10.205 2.772 3.016 1.00 0.58 H new ATOM 0 HB2 ARG A 20 10.450 5.150 1.130 1.00 0.70 H new ATOM 0 HB3 ARG A 20 10.906 5.109 2.822 1.00 0.70 H new ATOM 0 HG2 ARG A 20 12.683 3.481 2.342 1.00 0.82 H new ATOM 0 HG3 ARG A 20 12.189 3.397 0.662 1.00 0.82 H new ATOM 0 HD2 ARG A 20 14.064 4.889 0.749 1.00 1.01 H new ATOM 0 HD3 ARG A 20 12.648 5.882 0.471 1.00 1.01 H new ATOM 0 HE ARG A 20 13.487 5.537 3.294 1.00 1.31 H new ATOM 0 HH11 ARG A 20 13.357 7.584 0.409 1.00 1.32 H new ATOM 0 HH12 ARG A 20 13.808 9.045 1.296 1.00 1.32 H new ATOM 0 HH21 ARG A 20 14.082 7.404 4.401 1.00 2.34 H new ATOM 0 HH22 ARG A 20 14.216 8.943 3.544 1.00 2.34 H new ATOM 114 N LEU A 21 7.789 4.270 1.362 1.00 0.54 N ATOM 115 CA LEU A 21 6.410 4.732 1.462 1.00 0.59 C ATOM 116 C LEU A 21 5.548 3.661 2.118 1.00 0.57 C ATOM 117 O LEU A 21 4.813 3.919 3.079 1.00 0.64 O ATOM 118 CB LEU A 21 5.882 5.062 0.056 1.00 0.64 C ATOM 119 CG LEU A 21 4.574 4.371 -0.347 1.00 0.61 C ATOM 120 CD1 LEU A 21 3.368 5.143 0.167 1.00 0.70 C ATOM 121 CD2 LEU A 21 4.507 4.194 -1.852 1.00 0.61 C ATOM 0 H LEU A 21 8.162 4.271 0.413 1.00 0.54 H new ATOM 0 HA LEU A 21 6.369 5.630 2.078 1.00 0.59 H new ATOM 0 HB2 LEU A 21 5.737 6.140 -0.013 1.00 0.64 H new ATOM 0 HB3 LEU A 21 6.650 4.797 -0.671 1.00 0.64 H new ATOM 0 HG LEU A 21 4.555 3.383 0.113 1.00 0.61 H new ATOM 0 HD11 LEU A 21 2.454 4.631 -0.133 1.00 0.70 H new ATOM 0 HD12 LEU A 21 3.411 5.203 1.255 1.00 0.70 H new ATOM 0 HD13 LEU A 21 3.375 6.149 -0.252 1.00 0.70 H new ATOM 0 HD21 LEU A 21 3.572 3.702 -2.119 1.00 0.61 H new ATOM 0 HD22 LEU A 21 4.555 5.170 -2.336 1.00 0.61 H new ATOM 0 HD23 LEU A 21 5.346 3.583 -2.184 1.00 0.61 H new ATOM 133 N ALA A 22 5.667 2.449 1.608 1.00 0.56 N ATOM 134 CA ALA A 22 4.851 1.354 2.068 1.00 0.63 C ATOM 135 C ALA A 22 5.367 0.813 3.397 1.00 0.51 C ATOM 136 O ALA A 22 4.668 0.073 4.086 1.00 0.44 O ATOM 137 CB ALA A 22 4.781 0.280 1.002 1.00 0.83 C ATOM 0 H ALA A 22 6.327 2.203 0.870 1.00 0.56 H new ATOM 0 HA ALA A 22 3.837 1.713 2.247 1.00 0.63 H new ATOM 0 HB1 ALA A 22 4.163 -0.545 1.356 1.00 0.83 H new ATOM 0 HB2 ALA A 22 4.345 0.696 0.094 1.00 0.83 H new ATOM 0 HB3 ALA A 22 5.785 -0.086 0.787 1.00 0.83 H new ATOM 143 N TYR A 23 6.588 1.198 3.765 1.00 0.62 N ATOM 144 CA TYR A 23 7.099 0.907 5.097 1.00 0.76 C ATOM 145 C TYR A 23 6.213 1.573 6.148 1.00 0.67 C ATOM 146 O TYR A 23 5.873 0.977 7.168 1.00 0.67 O ATOM 147 CB TYR A 23 8.543 1.390 5.275 1.00 1.11 C ATOM 148 CG TYR A 23 8.889 1.643 6.727 1.00 1.03 C ATOM 149 CD1 TYR A 23 9.167 0.591 7.590 1.00 1.46 C ATOM 150 CD2 TYR A 23 8.879 2.934 7.244 1.00 1.86 C ATOM 151 CE1 TYR A 23 9.433 0.820 8.925 1.00 1.82 C ATOM 152 CE2 TYR A 23 9.134 3.168 8.579 1.00 2.48 C ATOM 153 CZ TYR A 23 9.411 2.110 9.415 1.00 2.23 C ATOM 154 OH TYR A 23 9.657 2.341 10.749 1.00 2.99 O ATOM 0 H TYR A 23 7.235 1.708 3.163 1.00 0.62 H new ATOM 0 HA TYR A 23 7.087 -0.176 5.223 1.00 0.76 H new ATOM 0 HB2 TYR A 23 9.226 0.646 4.865 1.00 1.11 H new ATOM 0 HB3 TYR A 23 8.690 2.306 4.704 1.00 1.11 H new ATOM 0 HD1 TYR A 23 9.175 -0.420 7.211 1.00 1.46 H new ATOM 0 HD2 TYR A 23 8.668 3.767 6.589 1.00 1.86 H new ATOM 0 HE1 TYR A 23 9.657 -0.007 9.583 1.00 1.82 H new ATOM 0 HE2 TYR A 23 9.116 4.176 8.966 1.00 2.48 H new ATOM 0 HH TYR A 23 9.604 3.303 10.930 1.00 2.99 H new ATOM 164 N ALA A 24 5.845 2.823 5.895 1.00 0.72 N ATOM 165 CA ALA A 24 4.977 3.551 6.806 1.00 0.87 C ATOM 166 C ALA A 24 3.591 2.925 6.813 1.00 0.75 C ATOM 167 O ALA A 24 2.861 2.999 7.806 1.00 0.84 O ATOM 168 CB ALA A 24 4.909 5.016 6.420 1.00 1.14 C ATOM 0 H ALA A 24 6.133 3.350 5.070 1.00 0.72 H new ATOM 0 HA ALA A 24 5.390 3.489 7.813 1.00 0.87 H new ATOM 0 HB1 ALA A 24 4.255 5.545 7.113 1.00 1.14 H new ATOM 0 HB2 ALA A 24 5.908 5.450 6.461 1.00 1.14 H new ATOM 0 HB3 ALA A 24 4.515 5.108 5.408 1.00 1.14 H new ATOM 174 N ILE A 25 3.238 2.307 5.693 1.00 0.62 N ATOM 175 CA ILE A 25 2.012 1.530 5.598 1.00 0.71 C ATOM 176 C ILE A 25 2.069 0.334 6.559 1.00 0.61 C ATOM 177 O ILE A 25 1.057 -0.044 7.148 1.00 0.66 O ATOM 178 CB ILE A 25 1.760 1.058 4.142 1.00 0.80 C ATOM 179 CG1 ILE A 25 1.601 2.275 3.222 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.533 0.163 4.058 1.00 0.91 C ATOM 181 CD1 ILE A 25 1.273 1.930 1.781 1.00 0.89 C ATOM 0 H ILE A 25 3.788 2.330 4.834 1.00 0.62 H new ATOM 0 HA ILE A 25 1.177 2.169 5.886 1.00 0.71 H new ATOM 0 HB ILE A 25 2.620 0.473 3.816 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.813 2.915 3.619 1.00 0.97 H new ATOM 0 HG13 ILE A 25 2.524 2.855 3.243 1.00 0.97 H new ATOM 0 HG21 ILE A 25 0.382 -0.152 3.025 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.679 -0.715 4.687 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.343 0.713 4.401 1.00 0.91 H new ATOM 0 HD11 ILE A 25 1.178 2.847 1.200 1.00 0.89 H new ATOM 0 HD12 ILE A 25 2.071 1.317 1.363 1.00 0.89 H new ATOM 0 HD13 ILE A 25 0.334 1.378 1.744 1.00 0.89 H new ATOM 193 N ILE A 26 3.270 -0.227 6.740 1.00 0.53 N ATOM 194 CA ILE A 26 3.491 -1.316 7.699 1.00 0.53 C ATOM 195 C ILE A 26 3.039 -0.907 9.090 1.00 0.51 C ATOM 196 O ILE A 26 2.241 -1.594 9.715 1.00 0.53 O ATOM 197 CB ILE A 26 4.982 -1.717 7.795 1.00 0.58 C ATOM 198 CG1 ILE A 26 5.507 -2.176 6.443 1.00 0.67 C ATOM 199 CG2 ILE A 26 5.189 -2.811 8.839 1.00 0.62 C ATOM 200 CD1 ILE A 26 6.989 -2.476 6.447 1.00 0.78 C ATOM 0 H ILE A 26 4.108 0.057 6.232 1.00 0.53 H new ATOM 0 HA ILE A 26 2.910 -2.163 7.333 1.00 0.53 H new ATOM 0 HB ILE A 26 5.543 -0.835 8.105 1.00 0.58 H new ATOM 0 HG12 ILE A 26 4.964 -3.069 6.134 1.00 0.67 H new ATOM 0 HG13 ILE A 26 5.301 -1.405 5.700 1.00 0.67 H new ATOM 0 HG21 ILE A 26 6.246 -3.074 8.886 1.00 0.62 H new ATOM 0 HG22 ILE A 26 4.861 -2.450 9.814 1.00 0.62 H new ATOM 0 HG23 ILE A 26 4.608 -3.691 8.564 1.00 0.62 H new ATOM 0 HD11 ILE A 26 7.298 -2.798 5.452 1.00 0.78 H new ATOM 0 HD12 ILE A 26 7.541 -1.578 6.726 1.00 0.78 H new ATOM 0 HD13 ILE A 26 7.198 -3.268 7.166 1.00 0.78 H new ATOM 212 N GLN A 27 3.558 0.224 9.554 1.00 0.54 N ATOM 213 CA GLN A 27 3.295 0.700 10.909 1.00 0.62 C ATOM 214 C GLN A 27 1.802 0.773 11.199 1.00 0.55 C ATOM 215 O GLN A 27 1.340 0.303 12.241 1.00 0.57 O ATOM 216 CB GLN A 27 3.940 2.071 11.123 1.00 0.79 C ATOM 217 CG GLN A 27 5.458 2.027 11.155 1.00 0.89 C ATOM 218 CD GLN A 27 5.986 1.137 12.265 1.00 1.10 C ATOM 219 OE1 GLN A 27 5.352 0.982 13.311 1.00 1.58 O ATOM 220 NE2 GLN A 27 7.150 0.548 12.046 1.00 1.34 N ATOM 0 H GLN A 27 4.168 0.833 9.008 1.00 0.54 H new ATOM 0 HA GLN A 27 3.735 -0.017 11.602 1.00 0.62 H new ATOM 0 HB2 GLN A 27 3.620 2.743 10.326 1.00 0.79 H new ATOM 0 HB3 GLN A 27 3.577 2.493 12.060 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.829 1.666 10.196 1.00 0.89 H new ATOM 0 HG3 GLN A 27 5.846 3.037 11.287 1.00 0.89 H new ATOM 0 HE21 GLN A 27 7.642 0.703 11.166 1.00 1.34 H new ATOM 0 HE22 GLN A 27 7.555 -0.061 12.757 1.00 1.34 H new ATOM 229 N PHE A 28 1.049 1.342 10.271 1.00 0.52 N ATOM 230 CA PHE A 28 -0.386 1.491 10.456 1.00 0.51 C ATOM 231 C PHE A 28 -1.104 0.154 10.296 1.00 0.43 C ATOM 232 O PHE A 28 -1.887 -0.236 11.158 1.00 0.42 O ATOM 233 CB PHE A 28 -0.951 2.519 9.476 1.00 0.60 C ATOM 234 CG PHE A 28 -2.441 2.692 9.574 1.00 0.90 C ATOM 235 CD1 PHE A 28 -3.025 3.151 10.743 1.00 1.60 C ATOM 236 CD2 PHE A 28 -3.256 2.392 8.495 1.00 1.62 C ATOM 237 CE1 PHE A 28 -4.395 3.307 10.836 1.00 1.98 C ATOM 238 CE2 PHE A 28 -4.626 2.545 8.581 1.00 1.95 C ATOM 239 CZ PHE A 28 -5.196 3.003 9.753 1.00 1.83 C ATOM 0 H PHE A 28 1.405 1.706 9.387 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.556 1.847 11.472 1.00 0.51 H new ATOM 0 HB2 PHE A 28 -0.470 3.481 9.655 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -0.695 2.218 8.460 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -2.402 3.390 11.592 1.00 1.60 H new ATOM 0 HD2 PHE A 28 -2.815 2.034 7.576 1.00 1.62 H new ATOM 0 HE1 PHE A 28 -4.838 3.666 11.753 1.00 1.98 H new ATOM 0 HE2 PHE A 28 -5.251 2.307 7.733 1.00 1.95 H new ATOM 0 HZ PHE A 28 -6.267 3.123 9.822 1.00 1.83 H new ATOM 249 N LEU A 29 -0.819 -0.553 9.206 1.00 0.45 N ATOM 250 CA LEU A 29 -1.507 -1.809 8.912 1.00 0.45 C ATOM 251 C LEU A 29 -1.191 -2.881 9.948 1.00 0.45 C ATOM 252 O LEU A 29 -2.015 -3.743 10.217 1.00 0.48 O ATOM 253 CB LEU A 29 -1.162 -2.318 7.509 1.00 0.53 C ATOM 254 CG LEU A 29 -2.123 -1.876 6.398 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.157 -0.360 6.271 1.00 0.57 C ATOM 256 CD2 LEU A 29 -1.734 -2.519 5.075 1.00 0.70 C ATOM 0 H LEU A 29 -0.121 -0.281 8.514 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.576 -1.600 8.953 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.158 -1.980 7.254 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.135 -3.407 7.532 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.126 -2.209 6.665 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -2.847 -0.077 5.476 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.490 0.077 7.213 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.159 0.008 6.034 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.425 -2.196 4.296 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -0.721 -2.219 4.808 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -1.777 -3.604 5.171 1.00 0.70 H new ATOM 268 N HIS A 30 -0.004 -2.822 10.533 1.00 0.47 N ATOM 269 CA HIS A 30 0.392 -3.783 11.557 1.00 0.53 C ATOM 270 C HIS A 30 -0.463 -3.599 12.808 1.00 0.47 C ATOM 271 O HIS A 30 -0.972 -4.567 13.376 1.00 0.49 O ATOM 272 CB HIS A 30 1.877 -3.611 11.893 1.00 0.67 C ATOM 273 CG HIS A 30 2.433 -4.669 12.795 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.751 -4.444 14.116 1.00 1.11 N ATOM 275 CD2 HIS A 30 2.754 -5.961 12.549 1.00 1.18 C ATOM 276 CE1 HIS A 30 3.244 -5.548 14.641 1.00 1.37 C ATOM 277 NE2 HIS A 30 3.254 -6.484 13.712 1.00 1.41 N ATOM 0 H HIS A 30 0.703 -2.119 10.318 1.00 0.47 H new ATOM 0 HA HIS A 30 0.236 -4.792 11.175 1.00 0.53 H new ATOM 0 HB2 HIS A 30 2.449 -3.605 10.965 1.00 0.67 H new ATOM 0 HB3 HIS A 30 2.021 -2.638 12.363 1.00 0.67 H new ATOM 0 HD2 HIS A 30 2.638 -6.482 11.610 1.00 1.18 H new ATOM 0 HE1 HIS A 30 3.583 -5.666 15.660 1.00 1.37 H new ATOM 0 HE2 HIS A 30 3.581 -7.442 13.839 1.00 1.41 H new ATOM 286 N ASP A 31 -0.630 -2.347 13.217 1.00 0.48 N ATOM 287 CA ASP A 31 -1.464 -2.015 14.368 1.00 0.51 C ATOM 288 C ASP A 31 -2.931 -2.288 14.051 1.00 0.45 C ATOM 289 O ASP A 31 -3.662 -2.873 14.850 1.00 0.49 O ATOM 290 CB ASP A 31 -1.273 -0.542 14.745 1.00 0.63 C ATOM 291 CG ASP A 31 -2.061 -0.150 15.976 1.00 1.24 C ATOM 292 OD1 ASP A 31 -1.566 -0.374 17.099 1.00 1.98 O ATOM 293 OD2 ASP A 31 -3.178 0.388 15.829 1.00 1.79 O ATOM 0 H ASP A 31 -0.197 -1.541 12.767 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.166 -2.638 15.211 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -0.214 -0.350 14.919 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -1.578 0.086 13.908 1.00 0.63 H new ATOM 298 N GLN A 32 -3.331 -1.862 12.861 1.00 0.42 N ATOM 299 CA GLN A 32 -4.676 -2.075 12.341 1.00 0.43 C ATOM 300 C GLN A 32 -5.033 -3.560 12.305 1.00 0.38 C ATOM 301 O GLN A 32 -6.121 -3.962 12.725 1.00 0.43 O ATOM 302 CB GLN A 32 -4.739 -1.489 10.931 1.00 0.52 C ATOM 303 CG GLN A 32 -5.946 -1.909 10.114 1.00 0.57 C ATOM 304 CD GLN A 32 -5.683 -1.758 8.632 1.00 1.17 C ATOM 305 OE1 GLN A 32 -5.189 -2.677 7.983 1.00 1.92 O ATOM 306 NE2 GLN A 32 -6.012 -0.606 8.080 1.00 1.31 N ATOM 0 H GLN A 32 -2.723 -1.352 12.220 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.396 -1.584 12.996 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -4.730 -0.402 11.005 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -3.836 -1.779 10.393 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -6.197 -2.946 10.338 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -6.808 -1.304 10.397 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -6.420 0.135 8.650 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.858 -0.456 7.083 1.00 1.31 H new ATOM 315 N LEU A 33 -4.111 -4.365 11.797 1.00 0.36 N ATOM 316 CA LEU A 33 -4.327 -5.794 11.647 1.00 0.42 C ATOM 317 C LEU A 33 -4.496 -6.448 13.013 1.00 0.46 C ATOM 318 O LEU A 33 -5.374 -7.288 13.205 1.00 0.54 O ATOM 319 CB LEU A 33 -3.147 -6.417 10.885 1.00 0.53 C ATOM 320 CG LEU A 33 -3.469 -7.641 10.017 1.00 0.80 C ATOM 321 CD1 LEU A 33 -3.743 -8.865 10.875 1.00 1.22 C ATOM 322 CD2 LEU A 33 -4.654 -7.343 9.108 1.00 0.83 C ATOM 0 H LEU A 33 -3.196 -4.046 11.479 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.240 -5.963 11.076 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -2.709 -5.650 10.246 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.384 -6.702 11.609 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.599 -7.859 9.397 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -3.968 -9.716 10.233 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -2.865 -9.089 11.480 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -4.593 -8.669 11.528 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -4.873 -8.219 8.497 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.525 -7.097 9.715 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -4.413 -6.500 8.461 1.00 0.83 H new ATOM 334 N ARG A 34 -3.668 -6.036 13.964 1.00 0.47 N ATOM 335 CA ARG A 34 -3.722 -6.582 15.314 1.00 0.58 C ATOM 336 C ARG A 34 -5.031 -6.207 16.004 1.00 0.58 C ATOM 337 O ARG A 34 -5.523 -6.934 16.869 1.00 0.69 O ATOM 338 CB ARG A 34 -2.536 -6.076 16.138 1.00 0.69 C ATOM 339 CG ARG A 34 -2.413 -6.739 17.502 1.00 1.40 C ATOM 340 CD ARG A 34 -2.214 -8.240 17.367 1.00 1.45 C ATOM 341 NE ARG A 34 -2.128 -8.912 18.660 1.00 2.17 N ATOM 342 CZ ARG A 34 -2.022 -10.232 18.800 1.00 2.52 C ATOM 343 NH1 ARG A 34 -1.974 -11.012 17.725 1.00 2.19 N ATOM 344 NH2 ARG A 34 -1.962 -10.773 20.013 1.00 3.49 N ATOM 0 H ARG A 34 -2.950 -5.325 13.825 1.00 0.47 H new ATOM 0 HA ARG A 34 -3.670 -7.668 15.241 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -1.617 -6.245 15.577 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -2.633 -4.999 16.275 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -1.574 -6.306 18.046 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -3.310 -6.540 18.089 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -3.041 -8.663 16.796 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -1.303 -8.433 16.800 1.00 1.45 H new ATOM 0 HE ARG A 34 -2.150 -8.339 19.503 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -2.018 -10.599 16.793 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -1.893 -12.023 17.832 1.00 2.19 H new ATOM 0 HH21 ARG A 34 -1.997 -10.177 20.840 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -1.881 -11.784 20.117 1.00 3.49 H new ATOM 358 N HIS A 35 -5.595 -5.075 15.611 1.00 0.53 N ATOM 359 CA HIS A 35 -6.827 -4.591 16.211 1.00 0.58 C ATOM 360 C HIS A 35 -8.043 -5.188 15.507 1.00 0.58 C ATOM 361 O HIS A 35 -9.167 -5.085 15.991 1.00 0.74 O ATOM 362 CB HIS A 35 -6.880 -3.060 16.147 1.00 0.59 C ATOM 363 CG HIS A 35 -7.970 -2.456 16.981 1.00 1.15 C ATOM 364 ND1 HIS A 35 -9.125 -1.924 16.448 1.00 1.98 N ATOM 365 CD2 HIS A 35 -8.070 -2.298 18.321 1.00 1.61 C ATOM 366 CE1 HIS A 35 -9.888 -1.469 17.424 1.00 2.68 C ATOM 367 NE2 HIS A 35 -9.270 -1.683 18.568 1.00 2.42 N ATOM 0 H HIS A 35 -5.218 -4.474 14.878 1.00 0.53 H new ATOM 0 HA HIS A 35 -6.846 -4.904 17.255 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -5.921 -2.659 16.474 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -7.017 -2.754 15.110 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -7.341 -2.600 19.058 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -10.854 -1.001 17.305 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -9.627 -1.431 19.490 1.00 2.42 H new ATOM 376 N GLY A 36 -7.801 -5.825 14.367 1.00 0.49 N ATOM 377 CA GLY A 36 -8.882 -6.389 13.587 1.00 0.51 C ATOM 378 C GLY A 36 -9.669 -5.323 12.858 1.00 0.47 C ATOM 379 O GLY A 36 -10.896 -5.373 12.811 1.00 0.53 O ATOM 0 H GLY A 36 -6.871 -5.960 13.970 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -8.477 -7.098 12.865 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -9.549 -6.948 14.243 1.00 0.51 H new ATOM 383 N GLY A 37 -8.951 -4.353 12.297 1.00 0.41 N ATOM 384 CA GLY A 37 -9.590 -3.249 11.606 1.00 0.40 C ATOM 385 C GLY A 37 -10.442 -3.692 10.433 1.00 0.39 C ATOM 386 O GLY A 37 -11.562 -3.208 10.260 1.00 0.52 O ATOM 0 H GLY A 37 -7.932 -4.314 12.310 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.212 -2.699 12.312 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -8.824 -2.559 11.251 1.00 0.40 H new ATOM 390 N LEU A 38 -9.920 -4.608 9.631 1.00 0.36 N ATOM 391 CA LEU A 38 -10.634 -5.078 8.448 1.00 0.41 C ATOM 392 C LEU A 38 -11.448 -6.331 8.740 1.00 0.49 C ATOM 393 O LEU A 38 -11.537 -6.778 9.886 1.00 0.83 O ATOM 394 CB LEU A 38 -9.667 -5.357 7.292 1.00 0.44 C ATOM 395 CG LEU A 38 -9.171 -4.130 6.520 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.339 -3.358 5.924 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.339 -3.228 7.407 1.00 0.47 C ATOM 0 H LEU A 38 -9.008 -5.041 9.775 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.318 -4.280 8.158 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -8.801 -5.886 7.689 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.157 -6.030 6.589 1.00 0.44 H new ATOM 0 HG LEU A 38 -8.539 -4.483 5.705 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -9.963 -2.491 5.381 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -10.891 -4.003 5.241 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.001 -3.026 6.723 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.000 -2.365 6.833 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -8.942 -2.889 8.249 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.475 -3.779 7.778 1.00 0.47 H new ATOM 409 N SER A 39 -12.036 -6.890 7.690 1.00 0.47 N ATOM 410 CA SER A 39 -12.852 -8.087 7.803 1.00 0.54 C ATOM 411 C SER A 39 -11.995 -9.310 8.144 1.00 0.48 C ATOM 412 O SER A 39 -10.767 -9.258 8.042 1.00 0.46 O ATOM 413 CB SER A 39 -13.608 -8.308 6.494 1.00 0.67 C ATOM 414 OG SER A 39 -14.301 -7.132 6.106 1.00 1.42 O ATOM 0 H SER A 39 -11.960 -6.526 6.740 1.00 0.47 H new ATOM 0 HA SER A 39 -13.566 -7.951 8.615 1.00 0.54 H new ATOM 0 HB2 SER A 39 -12.909 -8.599 5.710 1.00 0.67 H new ATOM 0 HB3 SER A 39 -14.315 -9.130 6.611 1.00 0.67 H new ATOM 0 HG SER A 39 -14.777 -7.295 5.265 1.00 1.42 H new ATOM 420 N SER A 40 -12.639 -10.404 8.530 1.00 0.60 N ATOM 421 CA SER A 40 -11.935 -11.582 9.029 1.00 0.61 C ATOM 422 C SER A 40 -10.952 -12.158 8.005 1.00 0.53 C ATOM 423 O SER A 40 -9.757 -12.291 8.292 1.00 0.50 O ATOM 424 CB SER A 40 -12.951 -12.641 9.455 1.00 0.77 C ATOM 425 OG SER A 40 -13.960 -12.806 8.472 1.00 1.63 O ATOM 0 H SER A 40 -13.654 -10.502 8.507 1.00 0.60 H new ATOM 0 HA SER A 40 -11.341 -11.274 9.889 1.00 0.61 H new ATOM 0 HB2 SER A 40 -12.443 -13.591 9.622 1.00 0.77 H new ATOM 0 HB3 SER A 40 -13.406 -12.352 10.403 1.00 0.77 H new ATOM 0 HG SER A 40 -14.596 -13.490 8.768 1.00 1.63 H new ATOM 431 N ASP A 41 -11.447 -12.481 6.813 1.00 0.57 N ATOM 432 CA ASP A 41 -10.615 -13.100 5.781 1.00 0.58 C ATOM 433 C ASP A 41 -9.515 -12.150 5.340 1.00 0.53 C ATOM 434 O ASP A 41 -8.357 -12.548 5.186 1.00 0.56 O ATOM 435 CB ASP A 41 -11.461 -13.511 4.573 1.00 0.71 C ATOM 436 CG ASP A 41 -10.641 -14.216 3.511 1.00 1.25 C ATOM 437 OD1 ASP A 41 -10.444 -15.445 3.627 1.00 1.69 O ATOM 438 OD2 ASP A 41 -10.188 -13.549 2.559 1.00 2.20 O ATOM 0 H ASP A 41 -12.417 -12.326 6.537 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.160 -13.993 6.209 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.266 -14.167 4.902 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -11.928 -12.626 4.141 1.00 0.71 H new ATOM 443 N ALA A 42 -9.884 -10.890 5.154 1.00 0.51 N ATOM 444 CA ALA A 42 -8.932 -9.858 4.769 1.00 0.51 C ATOM 445 C ALA A 42 -7.828 -9.725 5.808 1.00 0.47 C ATOM 446 O ALA A 42 -6.667 -9.558 5.461 1.00 0.52 O ATOM 447 CB ALA A 42 -9.643 -8.527 4.592 1.00 0.54 C ATOM 0 H ALA A 42 -10.842 -10.557 5.264 1.00 0.51 H new ATOM 0 HA ALA A 42 -8.480 -10.149 3.821 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -8.920 -7.764 4.304 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -10.401 -8.620 3.815 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -10.118 -8.241 5.530 1.00 0.54 H new ATOM 453 N GLN A 43 -8.204 -9.821 7.079 1.00 0.44 N ATOM 454 CA GLN A 43 -7.265 -9.676 8.187 1.00 0.45 C ATOM 455 C GLN A 43 -6.103 -10.660 8.058 1.00 0.45 C ATOM 456 O GLN A 43 -4.938 -10.262 8.017 1.00 0.48 O ATOM 457 CB GLN A 43 -7.990 -9.903 9.514 1.00 0.49 C ATOM 458 CG GLN A 43 -7.153 -9.573 10.736 1.00 0.82 C ATOM 459 CD GLN A 43 -7.868 -9.871 12.039 1.00 0.85 C ATOM 460 OE1 GLN A 43 -8.725 -10.879 12.034 1.00 1.56 O flip ATOM 461 NE2 GLN A 43 -7.641 -9.207 13.049 1.00 1.12 N flip ATOM 0 H GLN A 43 -9.165 -10.001 7.370 1.00 0.44 H new ATOM 0 HA GLN A 43 -6.860 -8.664 8.159 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -8.895 -9.296 9.531 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -8.304 -10.945 9.572 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -6.224 -10.142 10.699 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -6.881 -8.518 10.710 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -6.973 -8.437 13.014 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -8.121 -9.426 13.922 1.00 1.12 H new ATOM 470 N GLU A 44 -6.425 -11.945 7.976 1.00 0.49 N ATOM 471 CA GLU A 44 -5.402 -12.981 7.868 1.00 0.54 C ATOM 472 C GLU A 44 -4.596 -12.793 6.590 1.00 0.51 C ATOM 473 O GLU A 44 -3.392 -13.065 6.542 1.00 0.50 O ATOM 474 CB GLU A 44 -6.039 -14.371 7.871 1.00 0.68 C ATOM 475 CG GLU A 44 -7.034 -14.594 8.998 1.00 1.20 C ATOM 476 CD GLU A 44 -6.480 -14.226 10.357 1.00 1.65 C ATOM 477 OE1 GLU A 44 -5.473 -14.829 10.780 1.00 2.20 O ATOM 478 OE2 GLU A 44 -7.055 -13.333 11.009 1.00 2.36 O ATOM 0 H GLU A 44 -7.383 -12.295 7.982 1.00 0.49 H new ATOM 0 HA GLU A 44 -4.739 -12.895 8.729 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -6.544 -14.530 6.918 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -5.251 -15.120 7.943 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -7.931 -14.005 8.806 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -7.336 -15.641 9.006 1.00 1.20 H new ATOM 485 N SER A 45 -5.271 -12.303 5.563 1.00 0.54 N ATOM 486 CA SER A 45 -4.661 -12.117 4.263 1.00 0.59 C ATOM 487 C SER A 45 -3.682 -10.940 4.263 1.00 0.55 C ATOM 488 O SER A 45 -2.604 -11.036 3.681 1.00 0.58 O ATOM 489 CB SER A 45 -5.751 -11.918 3.213 1.00 0.71 C ATOM 490 OG SER A 45 -6.643 -13.022 3.201 1.00 1.04 O ATOM 0 H SER A 45 -6.251 -12.025 5.609 1.00 0.54 H new ATOM 0 HA SER A 45 -4.086 -13.011 4.020 1.00 0.59 H new ATOM 0 HB2 SER A 45 -6.302 -11.001 3.423 1.00 0.71 H new ATOM 0 HB3 SER A 45 -5.298 -11.800 2.229 1.00 0.71 H new ATOM 0 HG SER A 45 -7.214 -12.989 3.996 1.00 1.04 H new ATOM 496 N LEU A 46 -4.041 -9.837 4.924 1.00 0.56 N ATOM 497 CA LEU A 46 -3.166 -8.665 4.967 1.00 0.60 C ATOM 498 C LEU A 46 -1.826 -9.029 5.579 1.00 0.50 C ATOM 499 O LEU A 46 -0.799 -8.486 5.191 1.00 0.48 O ATOM 500 CB LEU A 46 -3.783 -7.505 5.756 1.00 0.74 C ATOM 501 CG LEU A 46 -5.152 -7.025 5.275 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.521 -5.707 5.936 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.179 -6.893 3.760 1.00 1.14 C ATOM 0 H LEU A 46 -4.920 -9.732 5.430 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.030 -8.336 3.937 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -3.871 -7.807 6.800 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -3.092 -6.662 5.725 1.00 0.74 H new ATOM 0 HG LEU A 46 -5.893 -7.771 5.562 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.499 -5.383 5.580 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.554 -5.839 7.017 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.775 -4.953 5.685 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -6.164 -6.550 3.442 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -4.424 -6.173 3.444 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -4.968 -7.862 3.307 1.00 1.14 H new ATOM 515 N GLU A 47 -1.842 -9.957 6.529 1.00 0.49 N ATOM 516 CA GLU A 47 -0.607 -10.456 7.112 1.00 0.48 C ATOM 517 C GLU A 47 0.268 -11.071 6.024 1.00 0.43 C ATOM 518 O GLU A 47 1.431 -10.706 5.876 1.00 0.45 O ATOM 519 CB GLU A 47 -0.901 -11.486 8.202 1.00 0.55 C ATOM 520 CG GLU A 47 0.345 -12.001 8.899 1.00 0.81 C ATOM 521 CD GLU A 47 0.030 -12.998 9.992 1.00 1.06 C ATOM 522 OE1 GLU A 47 -0.045 -14.210 9.698 1.00 1.76 O ATOM 523 OE2 GLU A 47 -0.145 -12.576 11.152 1.00 1.51 O ATOM 0 H GLU A 47 -2.691 -10.375 6.908 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.074 -9.621 7.568 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -1.564 -11.040 8.943 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -1.435 -12.328 7.761 1.00 0.55 H new ATOM 0 HG2 GLU A 47 1.001 -12.468 8.164 1.00 0.81 H new ATOM 0 HG3 GLU A 47 0.892 -11.160 9.326 1.00 0.81 H new ATOM 530 N VAL A 48 -0.319 -11.980 5.247 1.00 0.41 N ATOM 531 CA VAL A 48 0.377 -12.604 4.123 1.00 0.42 C ATOM 532 C VAL A 48 0.881 -11.537 3.161 1.00 0.41 C ATOM 533 O VAL A 48 2.009 -11.605 2.664 1.00 0.43 O ATOM 534 CB VAL A 48 -0.545 -13.572 3.352 1.00 0.46 C ATOM 535 CG1 VAL A 48 0.232 -14.326 2.282 1.00 0.49 C ATOM 536 CG2 VAL A 48 -1.225 -14.540 4.301 1.00 0.49 C ATOM 0 H VAL A 48 -1.278 -12.302 5.376 1.00 0.41 H new ATOM 0 HA VAL A 48 1.215 -13.169 4.532 1.00 0.42 H new ATOM 0 HB VAL A 48 -1.316 -12.980 2.858 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -0.440 -15.002 1.753 1.00 0.49 H new ATOM 0 HG12 VAL A 48 0.662 -13.616 1.576 1.00 0.49 H new ATOM 0 HG13 VAL A 48 1.031 -14.901 2.750 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -1.870 -15.212 3.735 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -0.470 -15.121 4.830 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -1.825 -13.983 5.021 1.00 0.49 H new ATOM 546 N ALA A 49 0.033 -10.546 2.912 1.00 0.41 N ATOM 547 CA ALA A 49 0.395 -9.417 2.074 1.00 0.43 C ATOM 548 C ALA A 49 1.619 -8.709 2.636 1.00 0.43 C ATOM 549 O ALA A 49 2.528 -8.366 1.897 1.00 0.48 O ATOM 550 CB ALA A 49 -0.769 -8.445 1.944 1.00 0.44 C ATOM 0 H ALA A 49 -0.916 -10.505 3.283 1.00 0.41 H new ATOM 0 HA ALA A 49 0.637 -9.794 1.080 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -0.475 -7.607 1.312 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -1.621 -8.956 1.496 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.046 -8.075 2.931 1.00 0.44 H new ATOM 556 N ILE A 50 1.642 -8.526 3.952 1.00 0.40 N ATOM 557 CA ILE A 50 2.754 -7.868 4.628 1.00 0.40 C ATOM 558 C ILE A 50 4.062 -8.639 4.433 1.00 0.38 C ATOM 559 O ILE A 50 5.122 -8.036 4.333 1.00 0.41 O ATOM 560 CB ILE A 50 2.463 -7.685 6.135 1.00 0.43 C ATOM 561 CG1 ILE A 50 1.320 -6.681 6.331 1.00 0.53 C ATOM 562 CG2 ILE A 50 3.709 -7.230 6.890 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.909 -6.483 7.776 1.00 0.61 C ATOM 0 H ILE A 50 0.895 -8.828 4.577 1.00 0.40 H new ATOM 0 HA ILE A 50 2.867 -6.883 4.176 1.00 0.40 H new ATOM 0 HB ILE A 50 2.163 -8.650 6.543 1.00 0.43 H new ATOM 0 HG12 ILE A 50 1.621 -5.719 5.915 1.00 0.53 H new ATOM 0 HG13 ILE A 50 0.454 -7.018 5.761 1.00 0.53 H new ATOM 0 HG21 ILE A 50 3.471 -7.111 7.947 1.00 0.47 H new ATOM 0 HG22 ILE A 50 4.495 -7.976 6.777 1.00 0.47 H new ATOM 0 HG23 ILE A 50 4.052 -6.278 6.486 1.00 0.47 H new ATOM 0 HD11 ILE A 50 0.096 -5.759 7.827 1.00 0.61 H new ATOM 0 HD12 ILE A 50 0.575 -7.433 8.193 1.00 0.61 H new ATOM 0 HD13 ILE A 50 1.760 -6.115 8.349 1.00 0.61 H new ATOM 575 N GLN A 51 3.993 -9.967 4.370 1.00 0.39 N ATOM 576 CA GLN A 51 5.183 -10.764 4.066 1.00 0.43 C ATOM 577 C GLN A 51 5.682 -10.437 2.658 1.00 0.43 C ATOM 578 O GLN A 51 6.879 -10.213 2.423 1.00 0.47 O ATOM 579 CB GLN A 51 4.906 -12.268 4.180 1.00 0.50 C ATOM 580 CG GLN A 51 5.022 -12.824 5.594 1.00 0.78 C ATOM 581 CD GLN A 51 3.881 -12.406 6.501 1.00 1.02 C ATOM 582 OE1 GLN A 51 2.860 -13.087 6.582 1.00 1.84 O ATOM 583 NE2 GLN A 51 4.052 -11.298 7.201 1.00 1.35 N ATOM 0 H GLN A 51 3.142 -10.508 4.522 1.00 0.39 H new ATOM 0 HA GLN A 51 5.948 -10.509 4.799 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.903 -12.470 3.804 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.602 -12.803 3.534 1.00 0.50 H new ATOM 0 HG2 GLN A 51 5.059 -13.912 5.547 1.00 0.78 H new ATOM 0 HG3 GLN A 51 5.964 -12.492 6.031 1.00 0.78 H new ATOM 0 HE21 GLN A 51 4.914 -10.762 7.105 1.00 1.35 H new ATOM 0 HE22 GLN A 51 3.322 -10.979 7.838 1.00 1.35 H new ATOM 592 N CYS A 52 4.742 -10.396 1.730 1.00 0.45 N ATOM 593 CA CYS A 52 5.029 -10.040 0.351 1.00 0.53 C ATOM 594 C CYS A 52 5.607 -8.630 0.286 1.00 0.53 C ATOM 595 O CYS A 52 6.580 -8.361 -0.428 1.00 0.60 O ATOM 596 CB CYS A 52 3.739 -10.122 -0.456 1.00 0.59 C ATOM 597 SG CYS A 52 2.841 -11.677 -0.227 1.00 0.69 S ATOM 0 H CYS A 52 3.761 -10.608 1.910 1.00 0.45 H new ATOM 0 HA CYS A 52 5.763 -10.730 -0.065 1.00 0.53 H new ATOM 0 HB2 CYS A 52 3.090 -9.292 -0.175 1.00 0.59 H new ATOM 0 HB3 CYS A 52 3.973 -9.999 -1.513 1.00 0.59 H new ATOM 0 HG CYS A 52 2.409 -11.753 0.997 1.00 0.69 H new ATOM 603 N LEU A 53 5.005 -7.741 1.060 1.00 0.50 N ATOM 604 CA LEU A 53 5.466 -6.372 1.170 1.00 0.54 C ATOM 605 C LEU A 53 6.849 -6.337 1.798 1.00 0.51 C ATOM 606 O LEU A 53 7.696 -5.552 1.399 1.00 0.58 O ATOM 607 CB LEU A 53 4.501 -5.543 2.025 1.00 0.63 C ATOM 608 CG LEU A 53 3.035 -5.530 1.566 1.00 0.54 C ATOM 609 CD1 LEU A 53 2.214 -4.590 2.436 1.00 0.76 C ATOM 610 CD2 LEU A 53 2.916 -5.135 0.100 1.00 0.61 C ATOM 0 H LEU A 53 4.184 -7.951 1.628 1.00 0.50 H new ATOM 0 HA LEU A 53 5.508 -5.945 0.168 1.00 0.54 H new ATOM 0 HB2 LEU A 53 4.538 -5.920 3.047 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.862 -4.515 2.051 1.00 0.63 H new ATOM 0 HG LEU A 53 2.643 -6.542 1.673 1.00 0.54 H new ATOM 0 HD11 LEU A 53 1.178 -4.593 2.097 1.00 0.76 H new ATOM 0 HD12 LEU A 53 2.258 -4.923 3.473 1.00 0.76 H new ATOM 0 HD13 LEU A 53 2.617 -3.580 2.362 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.866 -5.136 -0.193 1.00 0.61 H new ATOM 0 HD22 LEU A 53 3.332 -4.138 -0.043 1.00 0.61 H new ATOM 0 HD23 LEU A 53 3.465 -5.849 -0.515 1.00 0.61 H new ATOM 622 N GLU A 54 7.060 -7.199 2.788 1.00 0.47 N ATOM 623 CA GLU A 54 8.306 -7.253 3.548 1.00 0.51 C ATOM 624 C GLU A 54 9.521 -7.315 2.631 1.00 0.56 C ATOM 625 O GLU A 54 10.610 -6.863 2.988 1.00 0.65 O ATOM 626 CB GLU A 54 8.277 -8.453 4.500 1.00 0.56 C ATOM 627 CG GLU A 54 9.535 -8.627 5.331 1.00 0.73 C ATOM 628 CD GLU A 54 9.468 -9.842 6.229 1.00 1.05 C ATOM 629 OE1 GLU A 54 9.745 -10.961 5.745 1.00 1.62 O ATOM 630 OE2 GLU A 54 9.140 -9.689 7.424 1.00 1.65 O ATOM 0 H GLU A 54 6.367 -7.885 3.088 1.00 0.47 H new ATOM 0 HA GLU A 54 8.393 -6.336 4.131 1.00 0.51 H new ATOM 0 HB2 GLU A 54 7.425 -8.348 5.171 1.00 0.56 H new ATOM 0 HB3 GLU A 54 8.113 -9.359 3.917 1.00 0.56 H new ATOM 0 HG2 GLU A 54 10.396 -8.715 4.668 1.00 0.73 H new ATOM 0 HG3 GLU A 54 9.691 -7.737 5.940 1.00 0.73 H new ATOM 637 N THR A 55 9.339 -7.866 1.450 1.00 0.61 N ATOM 638 CA THR A 55 10.389 -7.820 0.451 1.00 0.78 C ATOM 639 C THR A 55 10.385 -6.492 -0.336 1.00 0.83 C ATOM 640 O THR A 55 11.415 -5.826 -0.439 1.00 0.98 O ATOM 641 CB THR A 55 10.262 -8.996 -0.526 1.00 0.95 C ATOM 642 OG1 THR A 55 10.042 -10.208 0.209 1.00 1.00 O ATOM 643 CG2 THR A 55 11.520 -9.136 -1.370 1.00 1.16 C ATOM 0 H THR A 55 8.487 -8.345 1.159 1.00 0.61 H new ATOM 0 HA THR A 55 11.336 -7.893 0.986 1.00 0.78 H new ATOM 0 HB THR A 55 9.418 -8.806 -1.189 1.00 0.95 H new ATOM 0 HG1 THR A 55 9.959 -10.959 -0.415 1.00 1.00 H new ATOM 0 HG21 THR A 55 11.407 -9.976 -2.055 1.00 1.16 H new ATOM 0 HG22 THR A 55 11.679 -8.221 -1.941 1.00 1.16 H new ATOM 0 HG23 THR A 55 12.377 -9.311 -0.720 1.00 1.16 H new ATOM 651 N ALA A 56 9.222 -6.100 -0.870 1.00 0.77 N ATOM 652 CA ALA A 56 9.147 -4.982 -1.827 1.00 0.88 C ATOM 653 C ALA A 56 8.602 -3.653 -1.270 1.00 0.88 C ATOM 654 O ALA A 56 9.160 -2.588 -1.541 1.00 1.15 O ATOM 655 CB ALA A 56 8.261 -5.388 -2.987 1.00 0.90 C ATOM 0 H ALA A 56 8.324 -6.535 -0.660 1.00 0.77 H new ATOM 0 HA ALA A 56 10.181 -4.791 -2.113 1.00 0.88 H new ATOM 0 HB1 ALA A 56 8.198 -4.567 -3.702 1.00 0.90 H new ATOM 0 HB2 ALA A 56 8.683 -6.265 -3.478 1.00 0.90 H new ATOM 0 HB3 ALA A 56 7.263 -5.624 -2.617 1.00 0.90 H new ATOM 661 N PHE A 57 7.534 -3.721 -0.490 1.00 0.76 N ATOM 662 CA PHE A 57 6.563 -2.622 -0.417 1.00 1.05 C ATOM 663 C PHE A 57 5.848 -2.597 0.922 1.00 1.56 C ATOM 664 O PHE A 57 4.637 -2.755 0.991 1.00 2.05 O ATOM 665 CB PHE A 57 5.535 -2.880 -1.485 1.00 1.04 C ATOM 666 CG PHE A 57 4.715 -1.692 -1.886 1.00 0.93 C ATOM 667 CD1 PHE A 57 5.292 -0.635 -2.562 1.00 1.50 C ATOM 668 CD2 PHE A 57 3.366 -1.633 -1.576 1.00 1.47 C ATOM 669 CE1 PHE A 57 4.537 0.464 -2.921 1.00 1.50 C ATOM 670 CE2 PHE A 57 2.608 -0.539 -1.928 1.00 1.46 C ATOM 671 CZ PHE A 57 3.194 0.513 -2.602 1.00 0.92 C ATOM 0 H PHE A 57 7.311 -4.521 0.103 1.00 0.76 H new ATOM 0 HA PHE A 57 7.081 -1.672 -0.546 1.00 1.05 H new ATOM 0 HB2 PHE A 57 6.043 -3.265 -2.369 1.00 1.04 H new ATOM 0 HB3 PHE A 57 4.862 -3.664 -1.137 1.00 1.04 H new ATOM 0 HD1 PHE A 57 6.342 -0.668 -2.812 1.00 1.50 H new ATOM 0 HD2 PHE A 57 2.903 -2.456 -1.051 1.00 1.47 H new ATOM 0 HE1 PHE A 57 4.997 1.285 -3.451 1.00 1.50 H new ATOM 0 HE2 PHE A 57 1.558 -0.504 -1.677 1.00 1.46 H new ATOM 0 HZ PHE A 57 2.603 1.373 -2.880 1.00 0.92 H new ATOM 681 N GLY A 58 6.566 -2.323 1.961 1.00 1.71 N ATOM 682 CA GLY A 58 6.114 -2.719 3.270 1.00 2.29 C ATOM 683 C GLY A 58 7.071 -3.757 3.736 1.00 2.05 C ATOM 684 O GLY A 58 6.737 -4.819 4.251 1.00 2.60 O ATOM 0 H GLY A 58 7.460 -1.832 1.939 1.00 1.71 H new ATOM 0 HA2 GLY A 58 6.098 -1.868 3.951 1.00 2.29 H new ATOM 0 HA3 GLY A 58 5.099 -3.114 3.230 1.00 2.29 H new ATOM 688 N VAL A 59 8.275 -3.325 3.536 1.00 1.35 N ATOM 689 CA VAL A 59 9.514 -4.064 3.612 1.00 1.13 C ATOM 690 C VAL A 59 9.975 -4.397 5.035 1.00 1.04 C ATOM 691 O VAL A 59 9.229 -4.261 6.000 1.00 1.22 O ATOM 692 CB VAL A 59 10.580 -3.187 2.941 1.00 0.93 C ATOM 693 CG1 VAL A 59 10.716 -3.500 1.470 1.00 1.23 C ATOM 694 CG2 VAL A 59 10.198 -1.727 3.068 1.00 1.00 C ATOM 0 H VAL A 59 8.441 -2.349 3.290 1.00 1.35 H new ATOM 0 HA VAL A 59 9.361 -5.027 3.124 1.00 1.13 H new ATOM 0 HB VAL A 59 11.526 -3.392 3.442 1.00 0.93 H new ATOM 0 HG11 VAL A 59 11.480 -2.859 1.031 1.00 1.23 H new ATOM 0 HG12 VAL A 59 11.003 -4.544 1.345 1.00 1.23 H new ATOM 0 HG13 VAL A 59 9.763 -3.323 0.971 1.00 1.23 H new ATOM 0 HG21 VAL A 59 10.958 -1.109 2.590 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.236 -1.559 2.583 1.00 1.00 H new ATOM 0 HG23 VAL A 59 10.124 -1.461 4.122 1.00 1.00 H new ATOM 704 N THR A 60 11.222 -4.841 5.147 1.00 1.18 N ATOM 705 CA THR A 60 11.797 -5.207 6.431 1.00 1.30 C ATOM 706 C THR A 60 12.074 -3.975 7.291 1.00 1.16 C ATOM 707 O THR A 60 11.846 -2.837 6.873 1.00 1.15 O ATOM 708 CB THR A 60 13.109 -5.993 6.244 1.00 1.94 C ATOM 709 OG1 THR A 60 13.992 -5.267 5.382 1.00 2.24 O ATOM 710 CG2 THR A 60 12.846 -7.374 5.665 1.00 2.38 C ATOM 0 H THR A 60 11.856 -4.956 4.356 1.00 1.18 H new ATOM 0 HA THR A 60 11.065 -5.836 6.938 1.00 1.30 H new ATOM 0 HB THR A 60 13.572 -6.117 7.223 1.00 1.94 H new ATOM 0 HG1 THR A 60 14.825 -5.770 5.268 1.00 2.24 H new ATOM 0 HG21 THR A 60 13.791 -7.904 5.545 1.00 2.38 H new ATOM 0 HG22 THR A 60 12.199 -7.934 6.340 1.00 2.38 H new ATOM 0 HG23 THR A 60 12.359 -7.275 4.695 1.00 2.38 H new ATOM 718 N VAL A 61 12.582 -4.211 8.492 1.00 1.41 N ATOM 719 CA VAL A 61 12.882 -3.138 9.429 1.00 1.59 C ATOM 720 C VAL A 61 14.163 -2.394 9.017 1.00 1.83 C ATOM 721 O VAL A 61 14.523 -1.362 9.594 1.00 2.11 O ATOM 722 CB VAL A 61 12.995 -3.697 10.870 1.00 1.81 C ATOM 723 CG1 VAL A 61 14.178 -4.643 11.001 1.00 2.21 C ATOM 724 CG2 VAL A 61 13.075 -2.578 11.899 1.00 1.95 C ATOM 0 H VAL A 61 12.797 -5.144 8.843 1.00 1.41 H new ATOM 0 HA VAL A 61 12.063 -2.419 9.408 1.00 1.59 H new ATOM 0 HB VAL A 61 12.087 -4.265 11.071 1.00 1.81 H new ATOM 0 HG11 VAL A 61 14.232 -5.019 12.023 1.00 2.21 H new ATOM 0 HG12 VAL A 61 14.053 -5.479 10.313 1.00 2.21 H new ATOM 0 HG13 VAL A 61 15.098 -4.110 10.762 1.00 2.21 H new ATOM 0 HG21 VAL A 61 13.153 -3.007 12.898 1.00 1.95 H new ATOM 0 HG22 VAL A 61 13.952 -1.962 11.699 1.00 1.95 H new ATOM 0 HG23 VAL A 61 12.177 -1.963 11.838 1.00 1.95 H new ATOM 734 N GLU A 62 14.833 -2.902 7.989 1.00 1.89 N ATOM 735 CA GLU A 62 15.980 -2.211 7.414 1.00 2.16 C ATOM 736 C GLU A 62 15.528 -0.869 6.851 1.00 1.64 C ATOM 737 O GLU A 62 16.223 0.148 6.962 1.00 1.65 O ATOM 738 CB GLU A 62 16.617 -3.056 6.309 1.00 2.87 C ATOM 739 CG GLU A 62 17.061 -4.433 6.773 1.00 3.13 C ATOM 740 CD GLU A 62 18.081 -4.373 7.888 1.00 3.57 C ATOM 741 OE1 GLU A 62 19.294 -4.321 7.592 1.00 3.98 O ATOM 742 OE2 GLU A 62 17.679 -4.387 9.066 1.00 4.01 O ATOM 0 H GLU A 62 14.602 -3.787 7.538 1.00 1.89 H new ATOM 0 HA GLU A 62 16.725 -2.048 8.193 1.00 2.16 H new ATOM 0 HB2 GLU A 62 15.903 -3.170 5.493 1.00 2.87 H new ATOM 0 HB3 GLU A 62 17.478 -2.523 5.907 1.00 2.87 H new ATOM 0 HG2 GLU A 62 16.191 -4.996 7.112 1.00 3.13 H new ATOM 0 HG3 GLU A 62 17.484 -4.978 5.929 1.00 3.13 H new ATOM 749 N ASP A 63 14.332 -0.874 6.276 1.00 1.38 N ATOM 750 CA ASP A 63 13.736 0.336 5.733 1.00 1.61 C ATOM 751 C ASP A 63 13.433 1.310 6.860 1.00 1.60 C ATOM 752 O ASP A 63 13.440 2.516 6.670 1.00 1.95 O ATOM 753 CB ASP A 63 12.453 0.000 4.978 1.00 1.89 C ATOM 754 CG ASP A 63 12.024 1.103 4.030 1.00 2.88 C ATOM 755 OD1 ASP A 63 11.551 2.154 4.500 1.00 3.62 O ATOM 756 OD2 ASP A 63 12.149 0.902 2.803 1.00 3.35 O ATOM 0 H ASP A 63 13.754 -1.709 6.174 1.00 1.38 H new ATOM 0 HA ASP A 63 14.440 0.796 5.040 1.00 1.61 H new ATOM 0 HB2 ASP A 63 12.599 -0.921 4.414 1.00 1.89 H new ATOM 0 HB3 ASP A 63 11.654 -0.188 5.695 1.00 1.89 H new ATOM 761 N SER A 64 13.201 0.765 8.051 1.00 1.54 N ATOM 762 CA SER A 64 12.938 1.576 9.231 1.00 1.81 C ATOM 763 C SER A 64 14.168 2.407 9.576 1.00 1.74 C ATOM 764 O SER A 64 14.058 3.484 10.161 1.00 1.93 O ATOM 765 CB SER A 64 12.548 0.683 10.415 1.00 2.41 C ATOM 766 OG SER A 64 12.065 1.443 11.513 1.00 2.91 O ATOM 0 H SER A 64 13.190 -0.240 8.222 1.00 1.54 H new ATOM 0 HA SER A 64 12.107 2.249 9.018 1.00 1.81 H new ATOM 0 HB2 SER A 64 11.783 -0.026 10.099 1.00 2.41 H new ATOM 0 HB3 SER A 64 13.413 0.099 10.730 1.00 2.41 H new ATOM 0 HG SER A 64 11.108 1.616 11.395 1.00 2.91 H new ATOM 772 N ASP A 65 15.342 1.900 9.212 1.00 1.69 N ATOM 773 CA ASP A 65 16.580 2.651 9.394 1.00 2.03 C ATOM 774 C ASP A 65 16.592 3.870 8.483 1.00 1.90 C ATOM 775 O ASP A 65 16.984 4.961 8.895 1.00 2.28 O ATOM 776 CB ASP A 65 17.807 1.781 9.116 1.00 2.26 C ATOM 777 CG ASP A 65 17.960 0.652 10.112 1.00 2.89 C ATOM 778 OD1 ASP A 65 18.108 0.934 11.321 1.00 3.46 O ATOM 779 OD2 ASP A 65 17.919 -0.524 9.698 1.00 3.35 O ATOM 0 H ASP A 65 15.462 0.978 8.792 1.00 1.69 H new ATOM 0 HA ASP A 65 16.624 2.975 10.434 1.00 2.03 H new ATOM 0 HB2 ASP A 65 17.733 1.366 8.111 1.00 2.26 H new ATOM 0 HB3 ASP A 65 18.701 2.404 9.138 1.00 2.26 H new ATOM 784 N LEU A 66 16.149 3.686 7.244 1.00 1.52 N ATOM 785 CA LEU A 66 16.053 4.799 6.299 1.00 1.61 C ATOM 786 C LEU A 66 14.606 5.281 6.168 1.00 1.45 C ATOM 787 O LEU A 66 14.184 5.724 5.102 1.00 1.72 O ATOM 788 CB LEU A 66 16.604 4.406 4.918 1.00 1.77 C ATOM 789 CG LEU A 66 16.008 3.137 4.299 1.00 1.59 C ATOM 790 CD1 LEU A 66 15.834 3.308 2.798 1.00 1.87 C ATOM 791 CD2 LEU A 66 16.902 1.940 4.579 1.00 1.57 C ATOM 0 H LEU A 66 15.852 2.785 6.870 1.00 1.52 H new ATOM 0 HA LEU A 66 16.660 5.615 6.692 1.00 1.61 H new ATOM 0 HB2 LEU A 66 16.437 5.236 4.231 1.00 1.77 H new ATOM 0 HB3 LEU A 66 17.683 4.275 5.002 1.00 1.77 H new ATOM 0 HG LEU A 66 15.031 2.964 4.751 1.00 1.59 H new ATOM 0 HD11 LEU A 66 15.410 2.397 2.375 1.00 1.87 H new ATOM 0 HD12 LEU A 66 15.164 4.145 2.602 1.00 1.87 H new ATOM 0 HD13 LEU A 66 16.803 3.504 2.339 1.00 1.87 H new ATOM 0 HD21 LEU A 66 16.465 1.047 4.133 1.00 1.57 H new ATOM 0 HD22 LEU A 66 17.889 2.114 4.150 1.00 1.57 H new ATOM 0 HD23 LEU A 66 16.995 1.799 5.656 1.00 1.57 H new ATOM 803 N ALA A 67 13.864 5.199 7.268 1.00 1.30 N ATOM 804 CA ALA A 67 12.434 5.520 7.289 1.00 1.26 C ATOM 805 C ALA A 67 12.128 6.932 6.790 1.00 1.27 C ATOM 806 O ALA A 67 12.994 7.811 6.778 1.00 1.53 O ATOM 807 CB ALA A 67 11.897 5.352 8.697 1.00 1.48 C ATOM 0 H ALA A 67 14.234 4.908 8.173 1.00 1.30 H new ATOM 0 HA ALA A 67 11.943 4.828 6.604 1.00 1.26 H new ATOM 0 HB1 ALA A 67 10.834 5.591 8.712 1.00 1.48 H new ATOM 0 HB2 ALA A 67 12.042 4.321 9.021 1.00 1.48 H new ATOM 0 HB3 ALA A 67 12.429 6.023 9.372 1.00 1.48 H new ATOM 813 N LEU A 68 10.880 7.131 6.382 1.00 1.15 N ATOM 814 CA LEU A 68 10.404 8.431 5.931 1.00 1.28 C ATOM 815 C LEU A 68 10.042 9.316 7.123 1.00 1.55 C ATOM 816 O LEU A 68 9.629 8.827 8.176 1.00 1.55 O ATOM 817 CB LEU A 68 9.182 8.267 5.018 1.00 1.24 C ATOM 818 CG LEU A 68 9.463 7.659 3.641 1.00 1.18 C ATOM 819 CD1 LEU A 68 8.185 7.565 2.828 1.00 1.20 C ATOM 820 CD2 LEU A 68 10.497 8.482 2.892 1.00 1.18 C ATOM 0 H LEU A 68 10.172 6.397 6.355 1.00 1.15 H new ATOM 0 HA LEU A 68 11.207 8.909 5.369 1.00 1.28 H new ATOM 0 HB2 LEU A 68 8.450 7.642 5.529 1.00 1.24 H new ATOM 0 HB3 LEU A 68 8.722 9.245 4.877 1.00 1.24 H new ATOM 0 HG LEU A 68 9.858 6.654 3.789 1.00 1.18 H new ATOM 0 HD11 LEU A 68 8.405 7.131 1.853 1.00 1.20 H new ATOM 0 HD12 LEU A 68 7.466 6.935 3.352 1.00 1.20 H new ATOM 0 HD13 LEU A 68 7.765 8.562 2.695 1.00 1.20 H new ATOM 0 HD21 LEU A 68 10.682 8.033 1.916 1.00 1.18 H new ATOM 0 HD22 LEU A 68 10.126 9.498 2.759 1.00 1.18 H new ATOM 0 HD23 LEU A 68 11.426 8.506 3.462 1.00 1.18 H new ATOM 832 N PRO A 69 10.211 10.641 6.953 1.00 1.93 N ATOM 833 CA PRO A 69 9.981 11.648 8.007 1.00 2.35 C ATOM 834 C PRO A 69 8.548 11.681 8.534 1.00 2.24 C ATOM 835 O PRO A 69 8.302 12.133 9.652 1.00 2.61 O ATOM 836 CB PRO A 69 10.283 12.979 7.311 1.00 2.74 C ATOM 837 CG PRO A 69 10.220 12.687 5.853 1.00 2.56 C ATOM 838 CD PRO A 69 10.673 11.269 5.704 1.00 2.06 C ATOM 0 HA PRO A 69 10.600 11.428 8.877 1.00 2.35 H new ATOM 0 HB2 PRO A 69 9.556 13.742 7.590 1.00 2.74 H new ATOM 0 HB3 PRO A 69 11.266 13.356 7.594 1.00 2.74 H new ATOM 0 HG2 PRO A 69 9.207 12.817 5.471 1.00 2.56 H new ATOM 0 HG3 PRO A 69 10.862 13.364 5.290 1.00 2.56 H new ATOM 0 HD2 PRO A 69 10.233 10.795 4.827 1.00 2.06 H new ATOM 0 HD3 PRO A 69 11.755 11.200 5.594 1.00 2.06 H new ATOM 846 N GLN A 70 7.612 11.216 7.729 1.00 1.83 N ATOM 847 CA GLN A 70 6.202 11.318 8.062 1.00 1.81 C ATOM 848 C GLN A 70 5.536 9.960 7.923 1.00 1.42 C ATOM 849 O GLN A 70 6.032 9.093 7.202 1.00 1.30 O ATOM 850 CB GLN A 70 5.528 12.331 7.128 1.00 1.92 C ATOM 851 CG GLN A 70 5.398 11.847 5.688 1.00 1.65 C ATOM 852 CD GLN A 70 5.190 12.978 4.704 1.00 2.17 C ATOM 853 OE1 GLN A 70 4.538 14.041 5.144 1.00 2.65 O flip ATOM 854 NE2 GLN A 70 5.607 12.894 3.553 1.00 2.75 N flip ATOM 0 H GLN A 70 7.803 10.762 6.836 1.00 1.83 H new ATOM 0 HA GLN A 70 6.099 11.655 9.093 1.00 1.81 H new ATOM 0 HB2 GLN A 70 4.536 12.564 7.515 1.00 1.92 H new ATOM 0 HB3 GLN A 70 6.100 13.259 7.140 1.00 1.92 H new ATOM 0 HG2 GLN A 70 6.296 11.294 5.413 1.00 1.65 H new ATOM 0 HG3 GLN A 70 4.561 11.152 5.618 1.00 1.65 H new ATOM 0 HE21 GLN A 70 6.106 12.057 3.251 1.00 2.75 H new ATOM 0 HE22 GLN A 70 5.455 13.661 2.898 1.00 2.75 H new ATOM 863 N THR A 71 4.434 9.761 8.625 1.00 1.36 N ATOM 864 CA THR A 71 3.624 8.586 8.404 1.00 1.13 C ATOM 865 C THR A 71 2.775 8.804 7.165 1.00 0.86 C ATOM 866 O THR A 71 2.182 9.869 6.979 1.00 0.83 O ATOM 867 CB THR A 71 2.715 8.268 9.604 1.00 1.23 C ATOM 868 OG1 THR A 71 2.038 9.455 10.034 1.00 1.53 O ATOM 869 CG2 THR A 71 3.513 7.676 10.757 1.00 1.55 C ATOM 0 H THR A 71 4.086 10.394 9.345 1.00 1.36 H new ATOM 0 HA THR A 71 4.292 7.735 8.272 1.00 1.13 H new ATOM 0 HB THR A 71 1.980 7.529 9.286 1.00 1.23 H new ATOM 0 HG1 THR A 71 1.460 9.244 10.797 1.00 1.53 H new ATOM 0 HG21 THR A 71 2.844 7.462 11.590 1.00 1.55 H new ATOM 0 HG22 THR A 71 3.994 6.754 10.431 1.00 1.55 H new ATOM 0 HG23 THR A 71 4.274 8.388 11.076 1.00 1.55 H new ATOM 877 N LEU A 72 2.730 7.799 6.318 1.00 0.80 N ATOM 878 CA LEU A 72 2.078 7.923 5.030 1.00 0.65 C ATOM 879 C LEU A 72 0.560 7.768 5.124 1.00 0.65 C ATOM 880 O LEU A 72 -0.154 8.534 4.493 1.00 0.66 O ATOM 881 CB LEU A 72 2.686 6.940 4.026 1.00 0.78 C ATOM 882 CG LEU A 72 3.947 7.440 3.303 1.00 0.97 C ATOM 883 CD1 LEU A 72 3.602 8.586 2.366 1.00 1.47 C ATOM 884 CD2 LEU A 72 5.015 7.886 4.295 1.00 1.79 C ATOM 0 H LEU A 72 3.139 6.882 6.498 1.00 0.80 H new ATOM 0 HA LEU A 72 2.256 8.936 4.670 1.00 0.65 H new ATOM 0 HB2 LEU A 72 2.929 6.015 4.549 1.00 0.78 H new ATOM 0 HB3 LEU A 72 1.931 6.695 3.279 1.00 0.78 H new ATOM 0 HG LEU A 72 4.346 6.609 2.722 1.00 0.97 H new ATOM 0 HD11 LEU A 72 4.506 8.928 1.862 1.00 1.47 H new ATOM 0 HD12 LEU A 72 2.880 8.245 1.624 1.00 1.47 H new ATOM 0 HD13 LEU A 72 3.173 9.408 2.939 1.00 1.47 H new ATOM 0 HD21 LEU A 72 5.894 8.234 3.752 1.00 1.79 H new ATOM 0 HD22 LEU A 72 4.624 8.697 4.910 1.00 1.79 H new ATOM 0 HD23 LEU A 72 5.292 7.047 4.933 1.00 1.79 H new ATOM 896 N PRO A 73 0.026 6.780 5.882 1.00 0.75 N ATOM 897 CA PRO A 73 -1.425 6.674 6.113 1.00 0.84 C ATOM 898 C PRO A 73 -2.071 8.000 6.526 1.00 0.80 C ATOM 899 O PRO A 73 -3.205 8.287 6.148 1.00 0.82 O ATOM 900 CB PRO A 73 -1.516 5.649 7.238 1.00 1.03 C ATOM 901 CG PRO A 73 -0.354 4.756 6.993 1.00 1.07 C ATOM 902 CD PRO A 73 0.751 5.653 6.511 1.00 0.84 C ATOM 0 HA PRO A 73 -1.961 6.391 5.207 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -1.458 6.123 8.218 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -2.457 5.100 7.205 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -0.064 4.232 7.903 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -0.594 3.996 6.250 1.00 1.07 H new ATOM 0 HD2 PRO A 73 1.383 5.990 7.333 1.00 0.84 H new ATOM 0 HD3 PRO A 73 1.400 5.144 5.798 1.00 0.84 H new ATOM 910 N GLU A 74 -1.342 8.809 7.289 1.00 0.78 N ATOM 911 CA GLU A 74 -1.829 10.128 7.684 1.00 0.78 C ATOM 912 C GLU A 74 -1.902 11.050 6.467 1.00 0.64 C ATOM 913 O GLU A 74 -2.865 11.800 6.294 1.00 0.64 O ATOM 914 CB GLU A 74 -0.920 10.728 8.757 1.00 0.87 C ATOM 915 CG GLU A 74 -1.387 12.084 9.259 1.00 1.22 C ATOM 916 CD GLU A 74 -0.513 12.629 10.367 1.00 1.48 C ATOM 917 OE1 GLU A 74 0.498 13.296 10.060 1.00 2.28 O ATOM 918 OE2 GLU A 74 -0.834 12.398 11.550 1.00 1.67 O ATOM 0 H GLU A 74 -0.415 8.576 7.645 1.00 0.78 H new ATOM 0 HA GLU A 74 -2.831 10.023 8.099 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -0.861 10.038 9.599 1.00 0.87 H new ATOM 0 HB3 GLU A 74 0.088 10.826 8.354 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -1.397 12.790 8.429 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -2.413 12.000 9.619 1.00 1.22 H new ATOM 925 N ILE A 75 -0.878 10.974 5.624 1.00 0.58 N ATOM 926 CA ILE A 75 -0.846 11.716 4.369 1.00 0.53 C ATOM 927 C ILE A 75 -1.995 11.290 3.468 1.00 0.49 C ATOM 928 O ILE A 75 -2.632 12.121 2.818 1.00 0.53 O ATOM 929 CB ILE A 75 0.494 11.499 3.625 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.632 12.174 4.381 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.425 12.017 2.192 1.00 0.68 C ATOM 932 CD1 ILE A 75 1.447 13.664 4.510 1.00 1.38 C ATOM 0 H ILE A 75 -0.051 10.400 5.790 1.00 0.58 H new ATOM 0 HA ILE A 75 -0.947 12.774 4.611 1.00 0.53 H new ATOM 0 HB ILE A 75 0.685 10.427 3.582 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.711 11.735 5.376 1.00 0.73 H new ATOM 0 HG13 ILE A 75 2.572 11.973 3.868 1.00 0.73 H new ATOM 0 HG21 ILE A 75 1.382 11.849 1.698 1.00 0.68 H new ATOM 0 HG22 ILE A 75 -0.360 11.488 1.651 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.204 13.084 2.201 1.00 0.68 H new ATOM 0 HD11 ILE A 75 2.288 14.089 5.057 1.00 1.38 H new ATOM 0 HD12 ILE A 75 1.396 14.112 3.517 1.00 1.38 H new ATOM 0 HD13 ILE A 75 0.522 13.871 5.049 1.00 1.38 H new ATOM 944 N PHE A 76 -2.263 9.991 3.456 1.00 0.50 N ATOM 945 CA PHE A 76 -3.315 9.431 2.620 1.00 0.56 C ATOM 946 C PHE A 76 -4.670 10.006 3.012 1.00 0.60 C ATOM 947 O PHE A 76 -5.544 10.194 2.173 1.00 0.72 O ATOM 948 CB PHE A 76 -3.361 7.905 2.742 1.00 0.65 C ATOM 949 CG PHE A 76 -2.063 7.205 2.438 1.00 2.05 C ATOM 950 CD1 PHE A 76 -1.069 7.813 1.687 1.00 2.12 C ATOM 951 CD2 PHE A 76 -1.843 5.924 2.912 1.00 2.34 C ATOM 952 CE1 PHE A 76 0.114 7.151 1.418 1.00 2.24 C ATOM 953 CE2 PHE A 76 -0.666 5.259 2.644 1.00 2.34 C ATOM 954 CZ PHE A 76 0.314 5.873 1.895 1.00 2.36 C ATOM 0 H PHE A 76 -1.763 9.303 4.019 1.00 0.50 H new ATOM 0 HA PHE A 76 -3.092 9.697 1.587 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -3.668 7.645 3.755 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -4.129 7.524 2.068 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -1.220 8.813 1.309 1.00 2.12 H new ATOM 0 HD2 PHE A 76 -2.606 5.437 3.502 1.00 2.34 H new ATOM 0 HE1 PHE A 76 0.882 7.635 0.834 1.00 2.24 H new ATOM 0 HE2 PHE A 76 -0.512 4.258 3.020 1.00 2.34 H new ATOM 0 HZ PHE A 76 1.237 5.354 1.682 1.00 2.36 H new ATOM 964 N GLU A 77 -4.837 10.282 4.294 1.00 0.63 N ATOM 965 CA GLU A 77 -6.077 10.851 4.793 1.00 0.73 C ATOM 966 C GLU A 77 -6.230 12.302 4.358 1.00 0.69 C ATOM 967 O GLU A 77 -7.342 12.779 4.148 1.00 0.80 O ATOM 968 CB GLU A 77 -6.121 10.761 6.315 1.00 0.90 C ATOM 969 CG GLU A 77 -6.212 9.341 6.838 1.00 1.56 C ATOM 970 CD GLU A 77 -7.493 8.654 6.421 1.00 1.94 C ATOM 971 OE1 GLU A 77 -8.533 8.882 7.073 1.00 2.52 O ATOM 972 OE2 GLU A 77 -7.466 7.875 5.446 1.00 2.41 O ATOM 0 H GLU A 77 -4.128 10.121 5.009 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.903 10.278 4.372 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -5.228 11.233 6.724 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -6.977 11.329 6.679 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -5.360 8.767 6.474 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -6.147 9.353 7.926 1.00 1.56 H new ATOM 979 N ALA A 78 -5.111 12.995 4.219 1.00 0.61 N ATOM 980 CA ALA A 78 -5.130 14.414 3.897 1.00 0.62 C ATOM 981 C ALA A 78 -5.119 14.664 2.391 1.00 0.60 C ATOM 982 O ALA A 78 -6.081 15.193 1.835 1.00 0.65 O ATOM 983 CB ALA A 78 -3.950 15.112 4.556 1.00 0.64 C ATOM 0 H ALA A 78 -4.177 12.598 4.324 1.00 0.61 H new ATOM 0 HA ALA A 78 -6.061 14.826 4.285 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -3.972 16.174 4.310 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -4.012 14.989 5.637 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -3.020 14.674 4.194 1.00 0.64 H new ATOM 989 N ALA A 79 -4.039 14.265 1.734 1.00 0.65 N ATOM 990 CA ALA A 79 -3.825 14.595 0.329 1.00 0.75 C ATOM 991 C ALA A 79 -4.866 13.945 -0.573 1.00 0.86 C ATOM 992 O ALA A 79 -5.358 14.562 -1.514 1.00 0.99 O ATOM 993 CB ALA A 79 -2.429 14.173 -0.103 1.00 0.83 C ATOM 0 H ALA A 79 -3.293 13.709 2.153 1.00 0.65 H new ATOM 0 HA ALA A 79 -3.927 15.676 0.228 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -2.282 14.425 -1.153 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.688 14.694 0.503 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -2.316 13.097 0.032 1.00 0.83 H new ATOM 999 N ALA A 80 -5.220 12.709 -0.258 1.00 0.91 N ATOM 1000 CA ALA A 80 -6.101 11.929 -1.114 1.00 1.12 C ATOM 1001 C ALA A 80 -7.548 12.417 -1.049 1.00 1.27 C ATOM 1002 O ALA A 80 -8.372 12.056 -1.893 1.00 1.56 O ATOM 1003 CB ALA A 80 -6.012 10.459 -0.744 1.00 1.25 C ATOM 0 H ALA A 80 -4.911 12.224 0.584 1.00 0.91 H new ATOM 0 HA ALA A 80 -5.768 12.062 -2.143 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -6.674 9.881 -1.389 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -4.987 10.113 -0.873 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -6.312 10.327 0.296 1.00 1.25 H new ATOM 1009 N THR A 81 -7.859 13.251 -0.063 1.00 1.23 N ATOM 1010 CA THR A 81 -9.211 13.770 0.076 1.00 1.46 C ATOM 1011 C THR A 81 -9.269 15.246 -0.319 1.00 1.63 C ATOM 1012 O THR A 81 -10.347 15.846 -0.360 1.00 1.89 O ATOM 1013 CB THR A 81 -9.746 13.589 1.516 1.00 1.60 C ATOM 1014 OG1 THR A 81 -11.175 13.721 1.532 1.00 2.33 O ATOM 1015 CG2 THR A 81 -9.139 14.614 2.463 1.00 1.65 C ATOM 0 H THR A 81 -7.200 13.578 0.644 1.00 1.23 H new ATOM 0 HA THR A 81 -9.848 13.196 -0.598 1.00 1.46 H new ATOM 0 HB THR A 81 -9.462 12.592 1.852 1.00 1.60 H new ATOM 0 HG1 THR A 81 -11.442 14.460 0.947 1.00 2.33 H new ATOM 0 HG21 THR A 81 -9.535 14.461 3.467 1.00 1.65 H new ATOM 0 HG22 THR A 81 -8.055 14.498 2.478 1.00 1.65 H new ATOM 0 HG23 THR A 81 -9.392 15.618 2.123 1.00 1.65 H new ATOM 1023 N GLY A 82 -8.110 15.820 -0.616 1.00 1.69 N ATOM 1024 CA GLY A 82 -8.044 17.221 -0.965 1.00 2.14 C ATOM 1025 C GLY A 82 -6.663 17.625 -1.434 1.00 2.00 C ATOM 1026 O GLY A 82 -5.685 17.485 -0.697 1.00 2.59 O ATOM 0 H GLY A 82 -7.212 15.336 -0.621 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -8.770 17.433 -1.750 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -8.324 17.823 -0.101 1.00 2.14 H new ATOM 1030 N LYS A 83 -6.581 18.118 -2.660 1.00 1.89 N ATOM 1031 CA LYS A 83 -5.312 18.544 -3.232 1.00 2.11 C ATOM 1032 C LYS A 83 -5.014 19.988 -2.851 1.00 2.84 C ATOM 1033 O LYS A 83 -4.055 20.220 -2.085 1.00 3.20 O ATOM 1034 CB LYS A 83 -5.335 18.396 -4.754 1.00 2.31 C ATOM 1035 CG LYS A 83 -5.523 16.961 -5.218 1.00 2.78 C ATOM 1036 CD LYS A 83 -5.463 16.838 -6.734 1.00 3.44 C ATOM 1037 CE LYS A 83 -6.612 17.565 -7.412 1.00 3.93 C ATOM 1038 NZ LYS A 83 -6.558 17.426 -8.892 1.00 4.41 N ATOM 1039 OXT LYS A 83 -5.757 20.887 -3.296 1.00 3.62 O ATOM 0 H LYS A 83 -7.382 18.234 -3.281 1.00 1.89 H new ATOM 0 HA LYS A 83 -4.524 17.907 -2.831 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -6.140 19.009 -5.159 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -4.402 18.783 -5.163 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -4.752 16.332 -4.773 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -6.483 16.588 -4.862 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -4.517 17.242 -7.093 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -5.486 15.785 -7.013 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -7.559 17.170 -7.044 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -6.582 18.621 -7.145 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -7.358 17.936 -9.318 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -5.665 17.825 -9.246 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -6.613 16.420 -9.148 1.00 4.41 H new ATOM 1054 N MET B 15 -17.699 6.144 3.912 1.00 2.24 N ATOM 1055 CA MET B 15 -16.854 5.242 3.097 1.00 1.67 C ATOM 1056 C MET B 15 -15.430 5.219 3.634 1.00 1.40 C ATOM 1057 O MET B 15 -14.958 6.196 4.223 1.00 1.55 O ATOM 1058 CB MET B 15 -16.850 5.683 1.629 1.00 1.81 C ATOM 1059 CG MET B 15 -16.301 7.081 1.403 1.00 2.21 C ATOM 1060 SD MET B 15 -16.223 7.525 -0.342 1.00 3.03 S ATOM 1061 CE MET B 15 -17.939 7.353 -0.823 1.00 3.68 C ATOM 0 HA MET B 15 -17.273 4.237 3.159 1.00 1.67 H new ATOM 0 HB2 MET B 15 -16.259 4.974 1.049 1.00 1.81 H new ATOM 0 HB3 MET B 15 -17.869 5.638 1.244 1.00 1.81 H new ATOM 0 HG2 MET B 15 -16.927 7.802 1.929 1.00 2.21 H new ATOM 0 HG3 MET B 15 -15.303 7.149 1.836 1.00 2.21 H new ATOM 0 HE1 MET B 15 -18.098 7.841 -1.785 1.00 3.68 H new ATOM 0 HE2 MET B 15 -18.189 6.295 -0.907 1.00 3.68 H new ATOM 0 HE3 MET B 15 -18.576 7.818 -0.071 1.00 3.68 H new ATOM 1073 N ASP B 16 -14.752 4.099 3.427 1.00 1.24 N ATOM 1074 CA ASP B 16 -13.387 3.926 3.902 1.00 1.13 C ATOM 1075 C ASP B 16 -12.392 4.464 2.880 1.00 0.91 C ATOM 1076 O ASP B 16 -12.512 4.203 1.684 1.00 1.01 O ATOM 1077 CB ASP B 16 -13.113 2.449 4.186 1.00 1.39 C ATOM 1078 CG ASP B 16 -11.679 2.199 4.600 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -11.340 2.455 5.775 1.00 2.42 O ATOM 1080 OD2 ASP B 16 -10.883 1.756 3.753 1.00 2.27 O ATOM 0 H ASP B 16 -15.128 3.292 2.930 1.00 1.24 H new ATOM 0 HA ASP B 16 -13.266 4.490 4.827 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -13.782 2.103 4.974 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -13.339 1.862 3.296 1.00 1.39 H new ATOM 1085 N ASN B 17 -11.419 5.227 3.361 1.00 0.78 N ATOM 1086 CA ASN B 17 -10.428 5.854 2.493 1.00 0.75 C ATOM 1087 C ASN B 17 -9.315 4.877 2.136 1.00 0.62 C ATOM 1088 O ASN B 17 -8.680 5.004 1.092 1.00 0.65 O ATOM 1089 CB ASN B 17 -9.823 7.080 3.187 1.00 0.93 C ATOM 1090 CG ASN B 17 -8.940 7.904 2.266 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -9.207 8.025 1.070 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -7.878 8.470 2.819 1.00 1.71 N ATOM 0 H ASN B 17 -11.294 5.428 4.353 1.00 0.78 H new ATOM 0 HA ASN B 17 -10.931 6.160 1.576 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -10.627 7.709 3.569 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -9.238 6.753 4.047 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -7.245 9.031 2.250 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -7.693 8.344 3.814 1.00 1.71 H new ATOM 1099 N LYS B 18 -9.095 3.890 2.995 1.00 0.59 N ATOM 1100 CA LYS B 18 -7.964 2.983 2.844 1.00 0.62 C ATOM 1101 C LYS B 18 -8.124 2.099 1.614 1.00 0.54 C ATOM 1102 O LYS B 18 -7.193 1.956 0.819 1.00 0.48 O ATOM 1103 CB LYS B 18 -7.795 2.123 4.098 1.00 0.82 C ATOM 1104 CG LYS B 18 -7.623 2.932 5.374 1.00 1.09 C ATOM 1105 CD LYS B 18 -6.478 3.927 5.266 1.00 1.04 C ATOM 1106 CE LYS B 18 -6.346 4.761 6.531 1.00 1.43 C ATOM 1107 NZ LYS B 18 -7.564 5.574 6.797 1.00 1.89 N ATOM 0 H LYS B 18 -9.685 3.697 3.804 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.068 3.588 2.709 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -8.665 1.475 4.203 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -6.928 1.475 3.969 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -8.548 3.466 5.593 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -7.439 2.257 6.210 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -5.546 3.393 5.082 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -6.644 4.583 4.411 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -6.157 4.104 7.380 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -5.483 5.421 6.441 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -7.417 6.152 7.649 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -7.750 6.196 5.985 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -8.378 4.943 6.943 1.00 1.89 H new ATOM 1121 N LYS B 19 -9.305 1.513 1.460 1.00 0.61 N ATOM 1122 CA LYS B 19 -9.599 0.675 0.302 1.00 0.61 C ATOM 1123 C LYS B 19 -9.427 1.460 -0.998 1.00 0.53 C ATOM 1124 O LYS B 19 -8.832 0.964 -1.952 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.016 0.085 0.405 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.081 1.099 0.782 1.00 0.82 C ATOM 1127 CD LYS B 19 -13.461 0.468 0.896 1.00 1.20 C ATOM 1128 CE LYS B 19 -14.155 0.341 -0.453 1.00 1.06 C ATOM 1129 NZ LYS B 19 -13.515 -0.653 -1.348 1.00 1.49 N ATOM 0 H LYS B 19 -10.076 1.602 2.122 1.00 0.61 H new ATOM 0 HA LYS B 19 -8.887 -0.151 0.290 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -11.281 -0.366 -0.551 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -11.012 -0.715 1.145 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -11.817 1.565 1.731 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -12.106 1.892 0.034 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -13.370 -0.519 1.349 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -14.078 1.069 1.564 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -15.196 0.060 -0.294 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -14.159 1.314 -0.945 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -14.243 -1.118 -1.927 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -12.833 -0.173 -1.969 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -13.019 -1.366 -0.776 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.900 2.699 -1.002 1.00 0.55 N ATOM 1144 CA ARG B 20 -9.874 3.536 -2.199 1.00 0.59 C ATOM 1145 C ARG B 20 -8.459 4.019 -2.504 1.00 0.55 C ATOM 1146 O ARG B 20 -8.022 4.027 -3.657 1.00 0.61 O ATOM 1147 CB ARG B 20 -10.805 4.732 -2.016 1.00 0.70 C ATOM 1148 CG ARG B 20 -12.213 4.340 -1.606 1.00 0.82 C ATOM 1149 CD ARG B 20 -13.071 5.564 -1.335 1.00 1.01 C ATOM 1150 NE ARG B 20 -13.368 6.306 -2.560 1.00 1.31 N ATOM 1151 CZ ARG B 20 -13.577 7.620 -2.617 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -13.463 8.371 -1.530 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -13.882 8.185 -3.773 1.00 2.34 N ATOM 0 H ARG B 20 -10.310 3.151 -0.185 1.00 0.55 H new ATOM 0 HA ARG B 20 -10.216 2.935 -3.042 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -10.386 5.397 -1.261 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -10.849 5.295 -2.948 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -12.670 3.741 -2.394 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -12.173 3.716 -0.713 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -14.004 5.256 -0.863 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -12.558 6.218 -0.630 1.00 1.01 H new ATOM 0 HE ARG B 20 -13.419 5.780 -3.432 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -13.213 7.943 -0.638 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -13.625 9.376 -1.585 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -13.956 7.615 -4.615 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -14.043 9.191 -3.822 1.00 2.34 H new ATOM 1167 N LEU B 21 -7.752 4.430 -1.460 1.00 0.54 N ATOM 1168 CA LEU B 21 -6.360 4.847 -1.582 1.00 0.58 C ATOM 1169 C LEU B 21 -5.531 3.727 -2.195 1.00 0.57 C ATOM 1170 O LEU B 21 -4.793 3.922 -3.167 1.00 0.64 O ATOM 1171 CB LEU B 21 -5.818 5.220 -0.193 1.00 0.64 C ATOM 1172 CG LEU B 21 -4.531 4.507 0.238 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -3.304 5.220 -0.311 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -4.465 4.393 1.750 1.00 0.61 C ATOM 0 H LEU B 21 -8.123 4.484 -0.511 1.00 0.54 H new ATOM 0 HA LEU B 21 -6.296 5.717 -2.235 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -5.640 6.295 -0.171 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -6.591 5.010 0.546 1.00 0.64 H new ATOM 0 HG LEU B 21 -4.543 3.499 -0.178 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -2.404 4.694 0.009 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -3.348 5.234 -1.400 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -3.279 6.243 0.064 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -3.545 3.884 2.037 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -4.481 5.390 2.191 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -5.322 3.823 2.110 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.683 2.544 -1.634 1.00 0.55 N ATOM 1187 CA ALA B 22 -4.902 1.408 -2.045 1.00 0.63 C ATOM 1188 C ALA B 22 -5.435 0.828 -3.352 1.00 0.51 C ATOM 1189 O ALA B 22 -4.758 0.042 -4.012 1.00 0.44 O ATOM 1190 CB ALA B 22 -4.858 0.386 -0.933 1.00 0.83 C ATOM 0 H ALA B 22 -6.348 2.350 -0.886 1.00 0.55 H new ATOM 0 HA ALA B 22 -3.878 1.725 -2.241 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -4.265 -0.472 -1.250 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -4.406 0.832 -0.047 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -5.871 0.060 -0.698 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.651 1.220 -3.728 1.00 0.62 N ATOM 1197 CA TYR B 23 -7.173 0.890 -5.046 1.00 0.75 C ATOM 1198 C TYR B 23 -6.271 1.485 -6.125 1.00 0.66 C ATOM 1199 O TYR B 23 -5.952 0.836 -7.120 1.00 0.66 O ATOM 1200 CB TYR B 23 -8.604 1.408 -5.243 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.946 1.610 -6.705 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -9.259 0.532 -7.522 1.00 1.46 C ATOM 1203 CD2 TYR B 23 -8.900 2.877 -7.277 1.00 1.86 C ATOM 1204 CE1 TYR B 23 -9.522 0.712 -8.866 1.00 1.83 C ATOM 1205 CE2 TYR B 23 -9.153 3.062 -8.619 1.00 2.48 C ATOM 1206 CZ TYR B 23 -9.464 1.978 -9.408 1.00 2.22 C ATOM 1207 OH TYR B 23 -9.708 2.161 -10.751 1.00 2.99 O ATOM 0 H TYR B 23 -7.286 1.762 -3.142 1.00 0.62 H new ATOM 0 HA TYR B 23 -7.192 -0.197 -5.126 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -9.308 0.702 -4.802 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -8.723 2.352 -4.711 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -9.297 -0.462 -7.101 1.00 1.46 H new ATOM 0 HD2 TYR B 23 -8.662 3.730 -6.659 1.00 1.86 H new ATOM 0 HE1 TYR B 23 -9.772 -0.134 -9.489 1.00 1.83 H new ATOM 0 HE2 TYR B 23 -9.108 4.052 -9.049 1.00 2.48 H new ATOM 0 HH TYR B 23 -9.628 3.113 -10.971 1.00 2.99 H new ATOM 1217 N ALA B 24 -5.865 2.733 -5.928 1.00 0.72 N ATOM 1218 CA ALA B 24 -4.981 3.397 -6.871 1.00 0.87 C ATOM 1219 C ALA B 24 -3.613 2.730 -6.858 1.00 0.75 C ATOM 1220 O ALA B 24 -2.886 2.740 -7.854 1.00 0.84 O ATOM 1221 CB ALA B 24 -4.868 4.874 -6.549 1.00 1.14 C ATOM 0 H ALA B 24 -6.134 3.302 -5.126 1.00 0.72 H new ATOM 0 HA ALA B 24 -5.401 3.306 -7.873 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -4.202 5.353 -7.267 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -5.854 5.335 -6.606 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -4.467 4.997 -5.543 1.00 1.14 H new ATOM 1227 N ILE B 25 -3.275 2.150 -5.712 1.00 0.63 N ATOM 1228 CA ILE B 25 -2.072 1.343 -5.586 1.00 0.71 C ATOM 1229 C ILE B 25 -2.168 0.108 -6.494 1.00 0.61 C ATOM 1230 O ILE B 25 -1.170 -0.324 -7.068 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.831 0.926 -4.111 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -1.632 2.175 -3.245 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.629 0.000 -3.992 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -1.308 1.882 -1.790 1.00 0.89 C ATOM 0 H ILE B 25 -3.822 2.226 -4.854 1.00 0.63 H new ATOM 0 HA ILE B 25 -1.220 1.944 -5.903 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.707 0.381 -3.759 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.827 2.774 -3.671 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -2.537 2.781 -3.289 1.00 0.97 H new ATOM 0 HG21 ILE B 25 -0.484 -0.276 -2.947 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.802 -0.899 -4.584 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.261 0.510 -4.359 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -1.183 2.820 -1.249 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -2.122 1.311 -1.344 1.00 0.89 H new ATOM 0 HD13 ILE B 25 -0.386 1.304 -1.732 1.00 0.89 H new ATOM 1246 N ILE B 26 -3.385 -0.424 -6.646 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.641 -1.546 -7.558 1.00 0.53 C ATOM 1248 C ILE B 26 -3.183 -1.209 -8.966 1.00 0.51 C ATOM 1249 O ILE B 26 -2.406 -1.944 -9.565 1.00 0.53 O ATOM 1250 CB ILE B 26 -5.144 -1.908 -7.634 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -5.674 -2.294 -6.261 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -5.387 -3.037 -8.633 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -7.165 -2.553 -6.244 1.00 0.78 C ATOM 0 H ILE B 26 -4.212 -0.095 -6.148 1.00 0.53 H new ATOM 0 HA ILE B 26 -3.084 -2.393 -7.158 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.683 -1.026 -7.979 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -5.153 -3.188 -5.917 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -5.443 -1.498 -5.553 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -6.451 -3.271 -8.666 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -5.053 -2.725 -9.623 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -4.831 -3.922 -8.324 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -7.476 -2.823 -5.235 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -7.694 -1.653 -6.558 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -7.400 -3.369 -6.927 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.668 -0.084 -9.478 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.396 0.326 -10.852 1.00 0.62 C ATOM 1267 C GLN B 27 -1.902 0.342 -11.149 1.00 0.55 C ATOM 1268 O GLN B 27 -1.457 -0.185 -12.169 1.00 0.57 O ATOM 1269 CB GLN B 27 -4.000 1.704 -11.124 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.520 1.703 -11.153 1.00 0.89 C ATOM 1271 CD GLN B 27 -6.079 0.783 -12.222 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -5.454 0.560 -13.260 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -7.261 0.239 -11.977 1.00 1.34 N ATOM 0 H GLN B 27 -4.257 0.566 -8.957 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.860 -0.407 -11.512 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -3.659 2.399 -10.357 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -3.626 2.074 -12.079 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -5.899 1.395 -10.178 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -5.878 2.718 -11.328 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -7.748 0.448 -11.105 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -7.685 -0.389 -12.660 1.00 1.34 H new ATOM 1282 N PHE B 28 -1.129 0.928 -10.247 1.00 0.52 N ATOM 1283 CA PHE B 28 0.308 1.026 -10.441 1.00 0.51 C ATOM 1284 C PHE B 28 0.988 -0.323 -10.225 1.00 0.43 C ATOM 1285 O PHE B 28 1.760 -0.773 -11.069 1.00 0.42 O ATOM 1286 CB PHE B 28 0.906 2.078 -9.509 1.00 0.60 C ATOM 1287 CG PHE B 28 2.400 2.203 -9.617 1.00 0.90 C ATOM 1288 CD1 PHE B 28 2.993 2.594 -10.806 1.00 1.60 C ATOM 1289 CD2 PHE B 28 3.210 1.926 -8.526 1.00 1.62 C ATOM 1290 CE1 PHE B 28 4.366 2.704 -10.908 1.00 1.98 C ATOM 1291 CE2 PHE B 28 4.583 2.036 -8.621 1.00 1.96 C ATOM 1292 CZ PHE B 28 5.163 2.425 -9.813 1.00 1.83 C ATOM 0 H PHE B 28 -1.471 1.340 -9.379 1.00 0.52 H new ATOM 0 HA PHE B 28 0.485 1.332 -11.472 1.00 0.51 H new ATOM 0 HB2 PHE B 28 0.453 3.045 -9.729 1.00 0.60 H new ATOM 0 HB3 PHE B 28 0.645 1.830 -8.480 1.00 0.60 H new ATOM 0 HD1 PHE B 28 2.375 2.815 -11.663 1.00 1.60 H new ATOM 0 HD2 PHE B 28 2.762 1.621 -7.592 1.00 1.62 H new ATOM 0 HE1 PHE B 28 4.816 3.007 -11.842 1.00 1.98 H new ATOM 0 HE2 PHE B 28 5.203 1.818 -7.764 1.00 1.96 H new ATOM 0 HZ PHE B 28 6.237 2.511 -9.889 1.00 1.83 H new ATOM 1302 N LEU B 29 0.686 -0.976 -9.105 1.00 0.45 N ATOM 1303 CA LEU B 29 1.335 -2.238 -8.761 1.00 0.45 C ATOM 1304 C LEU B 29 0.984 -3.344 -9.750 1.00 0.45 C ATOM 1305 O LEU B 29 1.782 -4.240 -9.985 1.00 0.48 O ATOM 1306 CB LEU B 29 0.981 -2.675 -7.337 1.00 0.53 C ATOM 1307 CG LEU B 29 1.958 -2.216 -6.248 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.039 -0.697 -6.185 1.00 0.57 C ATOM 1309 CD2 LEU B 29 1.555 -2.790 -4.898 1.00 0.70 C ATOM 0 H LEU B 29 -0.001 -0.654 -8.423 1.00 0.45 H new ATOM 0 HA LEU B 29 2.410 -2.064 -8.815 1.00 0.45 H new ATOM 0 HB2 LEU B 29 -0.012 -2.296 -7.095 1.00 0.53 H new ATOM 0 HB3 LEU B 29 0.921 -3.763 -7.313 1.00 0.53 H new ATOM 0 HG LEU B 29 2.949 -2.591 -6.503 1.00 0.59 H new ATOM 0 HD11 LEU B 29 2.739 -0.402 -5.404 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.382 -0.311 -7.145 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.053 -0.289 -5.961 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.258 -2.455 -4.136 1.00 0.70 H new ATOM 0 HD22 LEU B 29 0.552 -2.448 -4.642 1.00 0.70 H new ATOM 0 HD23 LEU B 29 1.565 -3.879 -4.948 1.00 0.70 H new ATOM 1321 N HIS B 30 -0.203 -3.273 -10.335 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.630 -4.264 -11.316 1.00 0.53 C ATOM 1323 C HIS B 30 0.228 -4.160 -12.576 1.00 0.48 C ATOM 1324 O HIS B 30 0.707 -5.166 -13.102 1.00 0.49 O ATOM 1325 CB HIS B 30 -2.109 -4.062 -11.656 1.00 0.67 C ATOM 1326 CG HIS B 30 -2.700 -5.141 -12.508 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -3.011 -4.966 -13.836 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -3.059 -6.409 -12.205 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -3.536 -6.077 -14.314 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -3.576 -6.970 -13.345 1.00 1.41 N ATOM 0 H HIS B 30 -0.888 -2.541 -10.149 1.00 0.47 H new ATOM 0 HA HIS B 30 -0.503 -5.260 -10.892 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.677 -3.996 -10.728 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -2.224 -3.107 -12.168 1.00 0.67 H new ATOM 0 HD2 HIS B 30 -2.957 -6.891 -11.244 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -3.876 -6.230 -15.328 1.00 1.38 H new ATOM 0 HE2 HIS B 30 -3.933 -7.922 -13.429 1.00 1.41 H new ATOM 1339 N ASP B 31 0.430 -2.931 -13.039 1.00 0.48 N ATOM 1340 CA ASP B 31 1.269 -2.672 -14.206 1.00 0.52 C ATOM 1341 C ASP B 31 2.728 -2.974 -13.879 1.00 0.45 C ATOM 1342 O ASP B 31 3.441 -3.613 -14.658 1.00 0.50 O ATOM 1343 CB ASP B 31 1.124 -1.210 -14.644 1.00 0.63 C ATOM 1344 CG ASP B 31 1.920 -0.894 -15.894 1.00 1.24 C ATOM 1345 OD1 ASP B 31 1.418 -1.154 -17.007 1.00 1.98 O ATOM 1346 OD2 ASP B 31 3.054 -0.388 -15.772 1.00 1.79 O ATOM 0 H ASP B 31 0.022 -2.094 -12.622 1.00 0.48 H new ATOM 0 HA ASP B 31 0.947 -3.320 -15.021 1.00 0.52 H new ATOM 0 HB2 ASP B 31 0.071 -0.991 -14.823 1.00 0.63 H new ATOM 0 HB3 ASP B 31 1.452 -0.558 -13.834 1.00 0.63 H new ATOM 1351 N GLN B 32 3.145 -2.511 -12.710 1.00 0.42 N ATOM 1352 CA GLN B 32 4.486 -2.742 -12.182 1.00 0.44 C ATOM 1353 C GLN B 32 4.798 -4.233 -12.085 1.00 0.38 C ATOM 1354 O GLN B 32 5.872 -4.684 -12.494 1.00 0.43 O ATOM 1355 CB GLN B 32 4.571 -2.098 -10.799 1.00 0.52 C ATOM 1356 CG GLN B 32 5.767 -2.519 -9.968 1.00 0.57 C ATOM 1357 CD GLN B 32 5.514 -2.296 -8.492 1.00 1.17 C ATOM 1358 OE1 GLN B 32 4.996 -3.171 -7.804 1.00 1.93 O ATOM 1359 NE2 GLN B 32 5.879 -1.129 -7.992 1.00 1.31 N ATOM 0 H GLN B 32 2.554 -1.956 -12.091 1.00 0.42 H new ATOM 0 HA GLN B 32 5.219 -2.300 -12.857 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.595 -1.015 -10.920 1.00 0.52 H new ATOM 0 HB3 GLN B 32 3.662 -2.337 -10.247 1.00 0.52 H new ATOM 0 HG2 GLN B 32 5.985 -3.572 -10.147 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.646 -1.954 -10.278 1.00 0.57 H new ATOM 0 HE21 GLN B 32 6.307 -0.427 -8.596 1.00 1.31 H new ATOM 0 HE22 GLN B 32 5.733 -0.930 -7.002 1.00 1.31 H new ATOM 1368 N LEU B 33 3.854 -4.987 -11.540 1.00 0.37 N ATOM 1369 CA LEU B 33 4.029 -6.415 -11.329 1.00 0.42 C ATOM 1370 C LEU B 33 4.175 -7.131 -12.666 1.00 0.46 C ATOM 1371 O LEU B 33 5.032 -7.997 -12.826 1.00 0.53 O ATOM 1372 CB LEU B 33 2.835 -6.971 -10.538 1.00 0.53 C ATOM 1373 CG LEU B 33 3.124 -8.164 -9.620 1.00 0.80 C ATOM 1374 CD1 LEU B 33 3.360 -9.431 -10.425 1.00 1.22 C ATOM 1375 CD2 LEU B 33 4.322 -7.863 -8.727 1.00 0.83 C ATOM 0 H LEU B 33 2.950 -4.628 -11.233 1.00 0.37 H new ATOM 0 HA LEU B 33 4.939 -6.585 -10.753 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.421 -6.165 -9.932 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.062 -7.265 -11.248 1.00 0.53 H new ATOM 0 HG LEU B 33 2.250 -8.329 -8.990 1.00 0.80 H new ATOM 0 HD11 LEU B 33 3.562 -10.260 -9.747 1.00 1.22 H new ATOM 0 HD12 LEU B 33 2.474 -9.655 -11.018 1.00 1.22 H new ATOM 0 HD13 LEU B 33 4.213 -9.287 -11.088 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.517 -8.718 -8.080 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.198 -7.669 -9.346 1.00 0.83 H new ATOM 0 HD23 LEU B 33 4.109 -6.986 -8.116 1.00 0.83 H new ATOM 1387 N ARG B 34 3.354 -6.736 -13.631 1.00 0.47 N ATOM 1388 CA ARG B 34 3.386 -7.342 -14.956 1.00 0.59 C ATOM 1389 C ARG B 34 4.704 -7.035 -15.665 1.00 0.58 C ATOM 1390 O ARG B 34 5.169 -7.812 -16.501 1.00 0.69 O ATOM 1391 CB ARG B 34 2.214 -6.836 -15.802 1.00 0.70 C ATOM 1392 CG ARG B 34 2.070 -7.551 -17.137 1.00 1.41 C ATOM 1393 CD ARG B 34 1.829 -9.040 -16.939 1.00 1.46 C ATOM 1394 NE ARG B 34 1.720 -9.762 -18.203 1.00 2.18 N ATOM 1395 CZ ARG B 34 1.572 -11.083 -18.287 1.00 2.53 C ATOM 1396 NH1 ARG B 34 1.505 -11.816 -17.180 1.00 2.19 N ATOM 1397 NH2 ARG B 34 1.490 -11.674 -19.475 1.00 3.50 N ATOM 0 H ARG B 34 2.658 -5.999 -13.521 1.00 0.47 H new ATOM 0 HA ARG B 34 3.300 -8.422 -14.834 1.00 0.59 H new ATOM 0 HB2 ARG B 34 1.291 -6.954 -15.235 1.00 0.70 H new ATOM 0 HB3 ARG B 34 2.342 -5.769 -15.983 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.242 -7.117 -17.698 1.00 1.41 H new ATOM 0 HG3 ARG B 34 2.971 -7.401 -17.732 1.00 1.41 H new ATOM 0 HD2 ARG B 34 2.645 -9.462 -16.353 1.00 1.46 H new ATOM 0 HD3 ARG B 34 0.915 -9.183 -16.363 1.00 1.46 H new ATOM 0 HE ARG B 34 1.759 -9.225 -19.070 1.00 2.18 H new ATOM 0 HH11 ARG B 34 1.567 -11.367 -16.266 1.00 2.19 H new ATOM 0 HH12 ARG B 34 1.392 -12.828 -17.244 1.00 2.19 H new ATOM 0 HH21 ARG B 34 1.540 -11.116 -20.327 1.00 3.50 H new ATOM 0 HH22 ARG B 34 1.377 -12.686 -19.534 1.00 3.50 H new ATOM 1411 N HIS B 35 5.303 -5.904 -15.322 1.00 0.53 N ATOM 1412 CA HIS B 35 6.549 -5.484 -15.945 1.00 0.59 C ATOM 1413 C HIS B 35 7.749 -6.088 -15.220 1.00 0.58 C ATOM 1414 O HIS B 35 8.876 -6.048 -15.712 1.00 0.74 O ATOM 1415 CB HIS B 35 6.649 -3.953 -15.948 1.00 0.59 C ATOM 1416 CG HIS B 35 7.753 -3.420 -16.810 1.00 1.17 C ATOM 1417 ND1 HIS B 35 8.925 -2.903 -16.302 1.00 1.99 N ATOM 1418 CD2 HIS B 35 7.853 -3.319 -18.156 1.00 1.62 C ATOM 1419 CE1 HIS B 35 9.696 -2.508 -17.297 1.00 2.69 C ATOM 1420 NE2 HIS B 35 9.070 -2.750 -18.429 1.00 2.43 N ATOM 0 H HIS B 35 4.946 -5.261 -14.615 1.00 0.53 H new ATOM 0 HA HIS B 35 6.555 -5.842 -16.974 1.00 0.59 H new ATOM 0 HB2 HIS B 35 5.701 -3.537 -16.290 1.00 0.59 H new ATOM 0 HB3 HIS B 35 6.799 -3.606 -14.926 1.00 0.59 H new ATOM 0 HD2 HIS B 35 7.113 -3.629 -18.879 1.00 1.62 H new ATOM 0 HE1 HIS B 35 10.675 -2.062 -17.199 1.00 2.69 H new ATOM 0 HE2 HIS B 35 9.432 -2.547 -19.361 1.00 2.43 H new ATOM 1429 N GLY B 36 7.493 -6.665 -14.051 1.00 0.49 N ATOM 1430 CA GLY B 36 8.560 -7.225 -13.247 1.00 0.51 C ATOM 1431 C GLY B 36 9.380 -6.151 -12.569 1.00 0.47 C ATOM 1432 O GLY B 36 10.607 -6.230 -12.523 1.00 0.53 O ATOM 0 H GLY B 36 6.561 -6.754 -13.646 1.00 0.49 H new ATOM 0 HA2 GLY B 36 8.136 -7.888 -12.493 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.209 -7.833 -13.878 1.00 0.51 H new ATOM 1436 N GLY B 37 8.693 -5.139 -12.047 1.00 0.41 N ATOM 1437 CA GLY B 37 9.365 -4.026 -11.405 1.00 0.40 C ATOM 1438 C GLY B 37 10.209 -4.446 -10.216 1.00 0.39 C ATOM 1439 O GLY B 37 11.346 -3.996 -10.068 1.00 0.53 O ATOM 0 H GLY B 37 7.675 -5.071 -12.058 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.000 -3.523 -12.134 1.00 0.40 H new ATOM 0 HA3 GLY B 37 8.621 -3.300 -11.077 1.00 0.40 H new ATOM 1443 N LEU B 38 9.662 -5.311 -9.375 1.00 0.36 N ATOM 1444 CA LEU B 38 10.366 -5.752 -8.176 1.00 0.41 C ATOM 1445 C LEU B 38 11.145 -7.037 -8.419 1.00 0.49 C ATOM 1446 O LEU B 38 11.230 -7.527 -9.547 1.00 0.83 O ATOM 1447 CB LEU B 38 9.393 -5.954 -7.006 1.00 0.44 C ATOM 1448 CG LEU B 38 8.936 -4.680 -6.287 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.127 -3.917 -5.729 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.128 -3.793 -7.212 1.00 0.47 C ATOM 0 H LEU B 38 8.736 -5.721 -9.498 1.00 0.36 H new ATOM 0 HA LEU B 38 11.074 -4.964 -7.919 1.00 0.41 H new ATOM 0 HB2 LEU B 38 8.510 -6.474 -7.379 1.00 0.44 H new ATOM 0 HB3 LEU B 38 9.865 -6.611 -6.275 1.00 0.44 H new ATOM 0 HG LEU B 38 8.297 -4.978 -5.456 1.00 0.44 H new ATOM 0 HD11 LEU B 38 9.778 -3.017 -5.223 1.00 0.51 H new ATOM 0 HD12 LEU B 38 10.663 -4.547 -5.019 1.00 0.51 H new ATOM 0 HD13 LEU B 38 10.795 -3.639 -6.544 1.00 0.51 H new ATOM 0 HD21 LEU B 38 7.817 -2.896 -6.676 1.00 0.47 H new ATOM 0 HD22 LEU B 38 8.738 -3.510 -8.069 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.247 -4.334 -7.557 1.00 0.47 H new ATOM 1462 N SER B 39 11.714 -7.571 -7.347 1.00 0.47 N ATOM 1463 CA SER B 39 12.494 -8.793 -7.410 1.00 0.54 C ATOM 1464 C SER B 39 11.601 -10.005 -7.695 1.00 0.48 C ATOM 1465 O SER B 39 10.376 -9.911 -7.597 1.00 0.45 O ATOM 1466 CB SER B 39 13.248 -8.975 -6.096 1.00 0.67 C ATOM 1467 OG SER B 39 13.972 -7.800 -5.767 1.00 1.42 O ATOM 0 H SER B 39 11.646 -7.168 -6.412 1.00 0.47 H new ATOM 0 HA SER B 39 13.208 -8.715 -8.230 1.00 0.54 H new ATOM 0 HB2 SER B 39 12.545 -9.211 -5.297 1.00 0.67 H new ATOM 0 HB3 SER B 39 13.933 -9.819 -6.178 1.00 0.67 H new ATOM 0 HG SER B 39 14.448 -7.935 -4.921 1.00 1.42 H new ATOM 1473 N SER B 40 12.211 -11.133 -8.035 1.00 0.59 N ATOM 1474 CA SER B 40 11.473 -12.307 -8.485 1.00 0.61 C ATOM 1475 C SER B 40 10.477 -12.815 -7.437 1.00 0.53 C ATOM 1476 O SER B 40 9.278 -12.933 -7.719 1.00 0.49 O ATOM 1477 CB SER B 40 12.459 -13.410 -8.865 1.00 0.77 C ATOM 1478 OG SER B 40 13.454 -13.565 -7.866 1.00 1.63 O ATOM 0 H SER B 40 13.223 -11.260 -8.007 1.00 0.59 H new ATOM 0 HA SER B 40 10.885 -12.016 -9.356 1.00 0.61 H new ATOM 0 HB2 SER B 40 11.925 -14.350 -9.001 1.00 0.77 H new ATOM 0 HB3 SER B 40 12.929 -13.170 -9.819 1.00 0.77 H new ATOM 0 HG SER B 40 14.073 -14.277 -8.129 1.00 1.63 H new ATOM 1484 N ASP B 41 10.964 -13.099 -6.232 1.00 0.57 N ATOM 1485 CA ASP B 41 10.117 -13.651 -5.172 1.00 0.58 C ATOM 1486 C ASP B 41 9.049 -12.648 -4.768 1.00 0.53 C ATOM 1487 O ASP B 41 7.880 -13.002 -4.598 1.00 0.55 O ATOM 1488 CB ASP B 41 10.951 -14.040 -3.949 1.00 0.71 C ATOM 1489 CG ASP B 41 10.114 -14.672 -2.856 1.00 1.26 C ATOM 1490 OD1 ASP B 41 9.885 -15.900 -2.910 1.00 1.69 O ATOM 1491 OD2 ASP B 41 9.684 -13.950 -1.933 1.00 2.21 O ATOM 0 H ASP B 41 11.938 -12.957 -5.963 1.00 0.57 H new ATOM 0 HA ASP B 41 9.635 -14.547 -5.563 1.00 0.58 H new ATOM 0 HB2 ASP B 41 11.733 -14.736 -4.252 1.00 0.71 H new ATOM 0 HB3 ASP B 41 11.449 -13.154 -3.555 1.00 0.71 H new ATOM 1496 N ALA B 42 9.456 -11.394 -4.635 1.00 0.51 N ATOM 1497 CA ALA B 42 8.537 -10.318 -4.292 1.00 0.50 C ATOM 1498 C ALA B 42 7.433 -10.196 -5.334 1.00 0.47 C ATOM 1499 O ALA B 42 6.279 -9.979 -4.992 1.00 0.52 O ATOM 1500 CB ALA B 42 9.287 -9.003 -4.174 1.00 0.54 C ATOM 0 H ALA B 42 10.423 -11.095 -4.760 1.00 0.51 H new ATOM 0 HA ALA B 42 8.080 -10.554 -3.331 1.00 0.50 H new ATOM 0 HB1 ALA B 42 8.588 -8.207 -3.917 1.00 0.54 H new ATOM 0 HB2 ALA B 42 10.045 -9.085 -3.395 1.00 0.54 H new ATOM 0 HB3 ALA B 42 9.767 -8.771 -5.125 1.00 0.54 H new ATOM 1506 N GLN B 43 7.803 -10.357 -6.602 1.00 0.44 N ATOM 1507 CA GLN B 43 6.864 -10.231 -7.714 1.00 0.45 C ATOM 1508 C GLN B 43 5.672 -11.173 -7.539 1.00 0.45 C ATOM 1509 O GLN B 43 4.520 -10.737 -7.507 1.00 0.48 O ATOM 1510 CB GLN B 43 7.578 -10.537 -9.031 1.00 0.49 C ATOM 1511 CG GLN B 43 6.746 -10.235 -10.266 1.00 0.82 C ATOM 1512 CD GLN B 43 7.449 -10.607 -11.559 1.00 0.85 C ATOM 1513 OE1 GLN B 43 8.278 -11.638 -11.513 1.00 1.57 O flip ATOM 1514 NE2 GLN B 43 7.237 -9.980 -12.593 1.00 1.12 N flip ATOM 0 H GLN B 43 8.757 -10.577 -6.887 1.00 0.44 H new ATOM 0 HA GLN B 43 6.489 -9.208 -7.730 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.501 -9.958 -9.076 1.00 0.49 H new ATOM 0 HB3 GLN B 43 7.861 -11.590 -9.044 1.00 0.49 H new ATOM 0 HG2 GLN B 43 5.802 -10.777 -10.203 1.00 0.82 H new ATOM 0 HG3 GLN B 43 6.503 -9.172 -10.283 1.00 0.82 H new ATOM 0 HE21 GLN B 43 6.591 -9.191 -12.588 1.00 1.12 H new ATOM 0 HE22 GLN B 43 7.707 -10.248 -13.458 1.00 1.12 H new ATOM 1523 N GLU B 44 5.957 -12.462 -7.402 1.00 0.49 N ATOM 1524 CA GLU B 44 4.906 -13.462 -7.249 1.00 0.54 C ATOM 1525 C GLU B 44 4.111 -13.201 -5.975 1.00 0.51 C ATOM 1526 O GLU B 44 2.901 -13.443 -5.908 1.00 0.50 O ATOM 1527 CB GLU B 44 5.504 -14.871 -7.194 1.00 0.68 C ATOM 1528 CG GLU B 44 6.484 -15.172 -8.316 1.00 1.20 C ATOM 1529 CD GLU B 44 5.928 -14.852 -9.688 1.00 1.65 C ATOM 1530 OE1 GLU B 44 4.912 -15.456 -10.083 1.00 2.20 O ATOM 1531 OE2 GLU B 44 6.520 -14.000 -10.384 1.00 2.36 O ATOM 0 H GLU B 44 6.905 -12.840 -7.394 1.00 0.49 H new ATOM 0 HA GLU B 44 4.243 -13.391 -8.111 1.00 0.54 H new ATOM 0 HB2 GLU B 44 6.011 -15.002 -6.238 1.00 0.68 H new ATOM 0 HB3 GLU B 44 4.694 -15.600 -7.228 1.00 0.68 H new ATOM 0 HG2 GLU B 44 7.397 -14.598 -8.157 1.00 1.20 H new ATOM 0 HG3 GLU B 44 6.759 -16.226 -8.278 1.00 1.20 H new ATOM 1538 N SER B 45 4.804 -12.685 -4.974 1.00 0.54 N ATOM 1539 CA SER B 45 4.205 -12.426 -3.682 1.00 0.59 C ATOM 1540 C SER B 45 3.260 -11.222 -3.732 1.00 0.55 C ATOM 1541 O SER B 45 2.181 -11.263 -3.144 1.00 0.58 O ATOM 1542 CB SER B 45 5.301 -12.213 -2.640 1.00 0.71 C ATOM 1543 OG SER B 45 6.161 -13.340 -2.572 1.00 1.04 O ATOM 0 H SER B 45 5.791 -12.436 -5.036 1.00 0.54 H new ATOM 0 HA SER B 45 3.608 -13.293 -3.400 1.00 0.59 H new ATOM 0 HB2 SER B 45 5.879 -11.324 -2.891 1.00 0.71 H new ATOM 0 HB3 SER B 45 4.850 -12.035 -1.664 1.00 0.71 H new ATOM 0 HG SER B 45 6.956 -13.178 -3.122 1.00 1.04 H new ATOM 1549 N LEU B 46 3.649 -10.158 -4.440 1.00 0.56 N ATOM 1550 CA LEU B 46 2.807 -8.964 -4.531 1.00 0.60 C ATOM 1551 C LEU B 46 1.455 -9.316 -5.124 1.00 0.50 C ATOM 1552 O LEU B 46 0.445 -8.726 -4.758 1.00 0.48 O ATOM 1553 CB LEU B 46 3.455 -7.857 -5.370 1.00 0.74 C ATOM 1554 CG LEU B 46 4.840 -7.399 -4.913 1.00 0.75 C ATOM 1555 CD1 LEU B 46 5.245 -6.121 -5.629 1.00 1.28 C ATOM 1556 CD2 LEU B 46 4.875 -7.203 -3.405 1.00 1.14 C ATOM 0 H LEU B 46 4.529 -10.099 -4.952 1.00 0.56 H new ATOM 0 HA LEU B 46 2.683 -8.587 -3.516 1.00 0.60 H new ATOM 0 HB2 LEU B 46 3.530 -8.205 -6.400 1.00 0.74 H new ATOM 0 HB3 LEU B 46 2.790 -6.993 -5.373 1.00 0.74 H new ATOM 0 HG LEU B 46 5.557 -8.178 -5.170 1.00 0.75 H new ATOM 0 HD11 LEU B 46 6.234 -5.812 -5.290 1.00 1.28 H new ATOM 0 HD12 LEU B 46 5.269 -6.298 -6.704 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.523 -5.335 -5.407 1.00 1.28 H new ATOM 0 HD21 LEU B 46 5.870 -6.877 -3.103 1.00 1.14 H new ATOM 0 HD22 LEU B 46 4.144 -6.447 -3.119 1.00 1.14 H new ATOM 0 HD23 LEU B 46 4.636 -8.144 -2.910 1.00 1.14 H new ATOM 1568 N GLU B 47 1.440 -10.284 -6.033 1.00 0.49 N ATOM 1569 CA GLU B 47 0.190 -10.770 -6.594 1.00 0.48 C ATOM 1570 C GLU B 47 -0.700 -11.312 -5.479 1.00 0.43 C ATOM 1571 O GLU B 47 -1.852 -10.908 -5.343 1.00 0.45 O ATOM 1572 CB GLU B 47 0.450 -11.853 -7.641 1.00 0.55 C ATOM 1573 CG GLU B 47 -0.815 -12.360 -8.316 1.00 0.81 C ATOM 1574 CD GLU B 47 -0.534 -13.408 -9.371 1.00 1.06 C ATOM 1575 OE1 GLU B 47 -0.330 -13.039 -10.544 1.00 1.52 O ATOM 1576 OE2 GLU B 47 -0.514 -14.610 -9.035 1.00 1.75 O ATOM 0 H GLU B 47 2.276 -10.744 -6.394 1.00 0.49 H new ATOM 0 HA GLU B 47 -0.318 -9.940 -7.085 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.125 -11.458 -8.401 1.00 0.55 H new ATOM 0 HB3 GLU B 47 0.960 -12.691 -7.166 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -1.481 -12.779 -7.562 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -1.339 -11.521 -8.774 1.00 0.81 H new ATOM 1583 N VAL B 48 -0.137 -12.203 -4.665 1.00 0.41 N ATOM 1584 CA VAL B 48 -0.848 -12.758 -3.514 1.00 0.42 C ATOM 1585 C VAL B 48 -1.318 -11.636 -2.598 1.00 0.41 C ATOM 1586 O VAL B 48 -2.446 -11.650 -2.097 1.00 0.43 O ATOM 1587 CB VAL B 48 0.048 -13.719 -2.702 1.00 0.45 C ATOM 1588 CG1 VAL B 48 -0.748 -14.403 -1.602 1.00 0.49 C ATOM 1589 CG2 VAL B 48 0.696 -14.744 -3.611 1.00 0.48 C ATOM 0 H VAL B 48 0.812 -12.557 -4.782 1.00 0.41 H new ATOM 0 HA VAL B 48 -1.703 -13.315 -3.898 1.00 0.42 H new ATOM 0 HB VAL B 48 0.837 -13.131 -2.233 1.00 0.45 H new ATOM 0 HG11 VAL B 48 -0.095 -15.075 -1.044 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -1.157 -13.651 -0.927 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -1.564 -14.975 -2.045 1.00 0.49 H new ATOM 0 HG21 VAL B 48 1.323 -15.411 -3.019 1.00 0.48 H new ATOM 0 HG22 VAL B 48 -0.077 -15.324 -4.114 1.00 0.48 H new ATOM 0 HG23 VAL B 48 1.309 -14.235 -4.355 1.00 0.48 H new ATOM 1599 N ALA B 49 -0.440 -10.661 -2.391 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.767 -9.487 -1.602 1.00 0.43 C ATOM 1601 C ALA B 49 -1.970 -8.768 -2.191 1.00 0.43 C ATOM 1602 O ALA B 49 -2.865 -8.364 -1.464 1.00 0.48 O ATOM 1603 CB ALA B 49 0.426 -8.546 -1.515 1.00 0.44 C ATOM 0 H ALA B 49 0.510 -10.664 -2.763 1.00 0.41 H new ATOM 0 HA ALA B 49 -1.019 -9.813 -0.593 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.158 -7.673 -0.919 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.263 -9.063 -1.046 1.00 0.44 H new ATOM 0 HB3 ALA B 49 0.712 -8.227 -2.517 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.992 -8.642 -3.515 1.00 0.40 N ATOM 1610 CA ILE B 50 -3.087 -7.981 -4.216 1.00 0.41 C ATOM 1611 C ILE B 50 -4.416 -8.704 -3.987 1.00 0.38 C ATOM 1612 O ILE B 50 -5.458 -8.065 -3.913 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.795 -7.870 -5.729 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -1.625 -6.908 -5.970 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -4.029 -7.410 -6.502 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -1.213 -6.784 -7.423 1.00 0.62 C ATOM 0 H ILE B 50 -1.256 -8.993 -4.128 1.00 0.40 H new ATOM 0 HA ILE B 50 -3.171 -6.975 -3.805 1.00 0.41 H new ATOM 0 HB ILE B 50 -2.524 -8.861 -6.094 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.897 -5.921 -5.596 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.767 -7.244 -5.388 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.789 -7.342 -7.563 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.837 -8.127 -6.358 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -4.343 -6.432 -6.138 1.00 0.47 H new ATOM 0 HD11 ILE B 50 -0.380 -6.086 -7.507 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.907 -7.760 -7.799 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -2.055 -6.417 -8.010 1.00 0.62 H new ATOM 1628 N GLN B 51 -4.386 -10.029 -3.865 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.598 -10.774 -3.525 1.00 0.43 C ATOM 1630 C GLN B 51 -6.082 -10.373 -2.131 1.00 0.43 C ATOM 1631 O GLN B 51 -7.271 -10.104 -1.903 1.00 0.47 O ATOM 1632 CB GLN B 51 -5.368 -12.290 -3.576 1.00 0.51 C ATOM 1633 CG GLN B 51 -5.504 -12.901 -4.964 1.00 0.78 C ATOM 1634 CD GLN B 51 -4.355 -12.557 -5.889 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -3.354 -13.269 -5.938 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -4.491 -11.475 -6.636 1.00 1.35 N ATOM 0 H GLN B 51 -3.552 -10.602 -3.994 1.00 0.39 H new ATOM 0 HA GLN B 51 -6.358 -10.525 -4.266 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -4.371 -12.507 -3.193 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -6.079 -12.776 -2.907 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -5.573 -13.985 -4.870 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -6.437 -12.560 -5.413 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -5.337 -10.910 -6.566 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -3.750 -11.205 -7.282 1.00 1.35 H new ATOM 1645 N CYS B 52 -5.139 -10.323 -1.207 1.00 0.45 N ATOM 1646 CA CYS B 52 -5.408 -9.901 0.155 1.00 0.52 C ATOM 1647 C CYS B 52 -5.945 -8.472 0.162 1.00 0.53 C ATOM 1648 O CYS B 52 -6.908 -8.148 0.866 1.00 0.59 O ATOM 1649 CB CYS B 52 -4.119 -9.986 0.964 1.00 0.59 C ATOM 1650 SG CYS B 52 -3.268 -11.573 0.797 1.00 0.69 S ATOM 0 H CYS B 52 -4.166 -10.574 -1.380 1.00 0.45 H new ATOM 0 HA CYS B 52 -6.159 -10.553 0.601 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -3.448 -9.187 0.648 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -4.347 -9.814 2.016 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.957 -11.769 -0.450 1.00 0.69 H new ATOM 1656 N LEU B 53 -5.319 -7.634 -0.649 1.00 0.49 N ATOM 1657 CA LEU B 53 -5.744 -6.261 -0.815 1.00 0.53 C ATOM 1658 C LEU B 53 -7.129 -6.220 -1.438 1.00 0.50 C ATOM 1659 O LEU B 53 -7.957 -5.401 -1.067 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.758 -5.491 -1.708 1.00 0.63 C ATOM 1661 CG LEU B 53 -3.290 -5.504 -1.254 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -2.444 -4.628 -2.165 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -3.155 -5.050 0.192 1.00 0.61 C ATOM 0 H LEU B 53 -4.505 -7.889 -1.208 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.770 -5.789 0.167 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -4.810 -5.905 -2.715 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -5.089 -4.454 -1.772 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.929 -6.530 -1.319 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -1.407 -4.648 -1.829 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -2.502 -5.003 -3.187 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.816 -3.604 -2.133 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -2.105 -5.070 0.483 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.540 -4.035 0.292 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.724 -5.719 0.838 1.00 0.61 H new ATOM 1675 N GLU B 54 -7.365 -7.114 -2.393 1.00 0.46 N ATOM 1676 CA GLU B 54 -8.614 -7.162 -3.152 1.00 0.50 C ATOM 1677 C GLU B 54 -9.828 -7.145 -2.235 1.00 0.56 C ATOM 1678 O GLU B 54 -10.902 -6.675 -2.611 1.00 0.65 O ATOM 1679 CB GLU B 54 -8.623 -8.400 -4.051 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.889 -8.573 -4.870 1.00 0.73 C ATOM 1681 CD GLU B 54 -9.864 -9.830 -5.709 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -10.160 -10.917 -5.172 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -9.547 -9.744 -6.908 1.00 1.66 O ATOM 0 H GLU B 54 -6.692 -7.831 -2.665 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.673 -6.270 -3.775 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.771 -8.348 -4.729 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -8.483 -9.285 -3.431 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -10.750 -8.602 -4.202 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -10.019 -7.708 -5.520 1.00 0.73 H new ATOM 1690 N THR B 55 -9.662 -7.650 -1.035 1.00 0.61 N ATOM 1691 CA THR B 55 -10.704 -7.520 -0.041 1.00 0.77 C ATOM 1692 C THR B 55 -10.654 -6.146 0.665 1.00 0.83 C ATOM 1693 O THR B 55 -11.654 -5.432 0.712 1.00 0.98 O ATOM 1694 CB THR B 55 -10.606 -8.653 0.995 1.00 0.95 C ATOM 1695 OG1 THR B 55 -10.419 -9.904 0.316 1.00 0.99 O ATOM 1696 CG2 THR B 55 -11.868 -8.726 1.845 1.00 1.15 C ATOM 0 H THR B 55 -8.828 -8.148 -0.725 1.00 0.61 H new ATOM 0 HA THR B 55 -11.660 -7.593 -0.559 1.00 0.77 H new ATOM 0 HB THR B 55 -9.758 -8.450 1.650 1.00 0.95 H new ATOM 0 HG1 THR B 55 -10.355 -10.627 0.974 1.00 0.99 H new ATOM 0 HG21 THR B 55 -11.773 -9.535 2.569 1.00 1.15 H new ATOM 0 HG22 THR B 55 -12.007 -7.782 2.372 1.00 1.15 H new ATOM 0 HG23 THR B 55 -12.729 -8.913 1.203 1.00 1.15 H new ATOM 1704 N ALA B 56 -9.505 -5.817 1.259 1.00 0.76 N ATOM 1705 CA ALA B 56 -9.364 -4.630 2.126 1.00 0.87 C ATOM 1706 C ALA B 56 -8.840 -3.317 1.474 1.00 0.88 C ATOM 1707 O ALA B 56 -9.369 -2.236 1.711 1.00 1.14 O ATOM 1708 CB ALA B 56 -8.472 -4.996 3.293 1.00 0.89 C ATOM 0 H ALA B 56 -8.646 -6.358 1.158 1.00 0.76 H new ATOM 0 HA ALA B 56 -10.385 -4.381 2.415 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -8.355 -4.132 3.947 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -8.923 -5.816 3.853 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -7.495 -5.305 2.921 1.00 0.89 H new ATOM 1714 N PHE B 57 -7.787 -3.451 0.682 1.00 0.76 N ATOM 1715 CA PHE B 57 -6.684 -2.481 0.629 1.00 1.05 C ATOM 1716 C PHE B 57 -6.011 -2.338 -0.724 1.00 1.57 C ATOM 1717 O PHE B 57 -4.797 -2.499 -0.807 1.00 2.06 O ATOM 1718 CB PHE B 57 -5.674 -2.726 1.692 1.00 1.04 C ATOM 1719 CG PHE B 57 -4.834 -1.516 2.042 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -5.388 -0.407 2.669 1.00 1.49 C ATOM 1721 CD2 PHE B 57 -3.485 -1.491 1.725 1.00 1.47 C ATOM 1722 CE1 PHE B 57 -4.605 0.697 2.972 1.00 1.50 C ATOM 1723 CE2 PHE B 57 -2.703 -0.395 2.024 1.00 1.47 C ATOM 1724 CZ PHE B 57 -3.263 0.701 2.648 1.00 0.92 C ATOM 0 H PHE B 57 -7.665 -4.241 0.049 1.00 0.76 H new ATOM 0 HA PHE B 57 -7.172 -1.524 0.813 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -6.185 -3.071 2.591 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -5.014 -3.532 1.371 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -6.438 -0.404 2.923 1.00 1.49 H new ATOM 0 HD2 PHE B 57 -3.039 -2.344 1.236 1.00 1.47 H new ATOM 0 HE1 PHE B 57 -5.045 1.553 3.461 1.00 1.50 H new ATOM 0 HE2 PHE B 57 -1.653 -0.395 1.770 1.00 1.47 H new ATOM 0 HZ PHE B 57 -2.652 1.560 2.883 1.00 0.92 H new ATOM 1734 N GLY B 58 -6.731 -2.165 -1.789 1.00 1.71 N ATOM 1735 CA GLY B 58 -6.336 -2.662 -3.074 1.00 2.29 C ATOM 1736 C GLY B 58 -7.251 -3.775 -3.390 1.00 2.05 C ATOM 1737 O GLY B 58 -6.911 -4.847 -3.869 1.00 2.60 O ATOM 0 H GLY B 58 -7.622 -1.668 -1.792 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -6.401 -1.879 -3.830 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -5.301 -3.003 -3.057 1.00 2.29 H new ATOM 1741 N VAL B 59 -8.457 -3.269 -3.364 1.00 1.35 N ATOM 1742 CA VAL B 59 -9.717 -3.970 -3.351 1.00 1.13 C ATOM 1743 C VAL B 59 -10.228 -4.290 -4.757 1.00 1.04 C ATOM 1744 O VAL B 59 -9.492 -4.190 -5.736 1.00 1.22 O ATOM 1745 CB VAL B 59 -10.750 -3.018 -2.705 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -10.898 -3.253 -1.225 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -10.327 -1.573 -2.901 1.00 1.00 C ATOM 0 H VAL B 59 -8.595 -2.259 -3.350 1.00 1.35 H new ATOM 0 HA VAL B 59 -9.582 -4.909 -2.814 1.00 1.13 H new ATOM 0 HB VAL B 59 -11.703 -3.220 -3.195 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -11.634 -2.560 -0.818 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -11.228 -4.277 -1.050 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -9.938 -3.093 -0.733 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -11.063 -0.913 -2.442 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.355 -1.412 -2.436 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -10.260 -1.355 -3.967 1.00 1.00 H new ATOM 1757 N THR B 60 -11.472 -4.735 -4.841 1.00 1.17 N ATOM 1758 CA THR B 60 -12.058 -5.132 -6.110 1.00 1.30 C ATOM 1759 C THR B 60 -12.298 -3.931 -7.023 1.00 1.16 C ATOM 1760 O THR B 60 -12.030 -2.783 -6.658 1.00 1.14 O ATOM 1761 CB THR B 60 -13.390 -5.873 -5.892 1.00 1.94 C ATOM 1762 OG1 THR B 60 -14.250 -5.086 -5.064 1.00 2.24 O ATOM 1763 CG2 THR B 60 -13.164 -7.232 -5.253 1.00 2.38 C ATOM 0 H THR B 60 -12.097 -4.830 -4.041 1.00 1.17 H new ATOM 0 HA THR B 60 -11.343 -5.799 -6.592 1.00 1.30 H new ATOM 0 HB THR B 60 -13.857 -6.028 -6.864 1.00 1.94 H new ATOM 0 HG1 THR B 60 -15.097 -5.560 -4.929 1.00 2.24 H new ATOM 0 HG21 THR B 60 -14.122 -7.731 -5.111 1.00 2.38 H new ATOM 0 HG22 THR B 60 -12.531 -7.838 -5.901 1.00 2.38 H new ATOM 0 HG23 THR B 60 -12.676 -7.103 -4.287 1.00 2.38 H new ATOM 1771 N VAL B 61 -12.813 -4.203 -8.213 1.00 1.40 N ATOM 1772 CA VAL B 61 -13.086 -3.162 -9.193 1.00 1.59 C ATOM 1773 C VAL B 61 -14.341 -2.362 -8.809 1.00 1.83 C ATOM 1774 O VAL B 61 -14.667 -1.343 -9.424 1.00 2.11 O ATOM 1775 CB VAL B 61 -13.220 -3.777 -10.607 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -14.430 -4.698 -10.694 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -13.275 -2.702 -11.683 1.00 1.95 C ATOM 0 H VAL B 61 -13.052 -5.144 -8.525 1.00 1.40 H new ATOM 0 HA VAL B 61 -12.246 -2.467 -9.204 1.00 1.59 H new ATOM 0 HB VAL B 61 -12.327 -4.376 -10.786 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -14.498 -5.115 -11.699 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -14.324 -5.507 -9.972 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -15.335 -4.132 -10.474 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -13.369 -3.172 -12.662 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -14.134 -2.055 -11.507 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -12.361 -2.109 -11.652 1.00 1.95 H new ATOM 1787 N GLU B 62 -15.023 -2.809 -7.760 1.00 1.89 N ATOM 1788 CA GLU B 62 -16.147 -2.060 -7.213 1.00 2.15 C ATOM 1789 C GLU B 62 -15.656 -0.710 -6.707 1.00 1.63 C ATOM 1790 O GLU B 62 -16.322 0.321 -6.857 1.00 1.65 O ATOM 1791 CB GLU B 62 -16.805 -2.841 -6.074 1.00 2.86 C ATOM 1792 CG GLU B 62 -17.292 -4.221 -6.480 1.00 3.13 C ATOM 1793 CD GLU B 62 -18.311 -4.173 -7.598 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -19.521 -4.068 -7.305 1.00 3.97 O ATOM 1795 OE2 GLU B 62 -17.910 -4.245 -8.777 1.00 4.00 O ATOM 0 H GLU B 62 -14.818 -3.682 -7.274 1.00 1.89 H new ATOM 0 HA GLU B 62 -16.889 -1.906 -7.997 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -16.092 -2.943 -5.256 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -17.648 -2.266 -5.691 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -16.441 -4.825 -6.795 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -17.731 -4.717 -5.614 1.00 3.13 H new ATOM 1802 N ASP B 63 -14.459 -0.725 -6.135 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.826 0.489 -5.645 1.00 1.61 C ATOM 1804 C ASP B 63 -13.499 1.405 -6.815 1.00 1.59 C ATOM 1805 O ASP B 63 -13.469 2.618 -6.676 1.00 1.93 O ATOM 1806 CB ASP B 63 -12.551 0.148 -4.881 1.00 1.89 C ATOM 1807 CG ASP B 63 -12.086 1.279 -3.983 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -11.583 2.293 -4.500 1.00 3.62 O ATOM 1809 OD2 ASP B 63 -12.212 1.136 -2.749 1.00 3.35 O ATOM 0 H ASP B 63 -13.905 -1.571 -5.999 1.00 1.36 H new ATOM 0 HA ASP B 63 -14.513 0.999 -4.970 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -12.722 -0.743 -4.277 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -11.761 -0.095 -5.591 1.00 1.89 H new ATOM 1814 N SER B 64 -13.285 0.803 -7.982 1.00 1.56 N ATOM 1815 CA SER B 64 -13.004 1.556 -9.195 1.00 1.82 C ATOM 1816 C SER B 64 -14.212 2.408 -9.573 1.00 1.73 C ATOM 1817 O SER B 64 -14.070 3.456 -10.202 1.00 1.91 O ATOM 1818 CB SER B 64 -12.642 0.604 -10.341 1.00 2.42 C ATOM 1819 OG SER B 64 -12.137 1.307 -11.465 1.00 2.92 O ATOM 0 H SER B 64 -13.302 -0.209 -8.110 1.00 1.56 H new ATOM 0 HA SER B 64 -12.155 2.214 -9.012 1.00 1.82 H new ATOM 0 HB2 SER B 64 -11.898 -0.115 -9.997 1.00 2.42 H new ATOM 0 HB3 SER B 64 -13.524 0.034 -10.634 1.00 2.42 H new ATOM 0 HG SER B 64 -11.255 1.676 -11.251 1.00 2.92 H new ATOM 1825 N ASP B 65 -15.398 1.952 -9.188 1.00 1.68 N ATOM 1826 CA ASP B 65 -16.614 2.731 -9.400 1.00 2.03 C ATOM 1827 C ASP B 65 -16.588 3.990 -8.542 1.00 1.91 C ATOM 1828 O ASP B 65 -16.950 5.073 -8.998 1.00 2.28 O ATOM 1829 CB ASP B 65 -17.868 1.911 -9.084 1.00 2.26 C ATOM 1830 CG ASP B 65 -18.060 0.746 -10.032 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -18.182 0.975 -11.252 1.00 3.46 O ATOM 1832 OD2 ASP B 65 -18.079 -0.411 -9.564 1.00 3.35 O ATOM 0 H ASP B 65 -15.544 1.052 -8.730 1.00 1.68 H new ATOM 0 HA ASP B 65 -16.650 3.011 -10.453 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -17.804 1.536 -8.063 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -18.743 2.560 -9.131 1.00 2.26 H new ATOM 1837 N LEU B 66 -16.142 3.845 -7.302 1.00 1.52 N ATOM 1838 CA LEU B 66 -16.015 4.988 -6.393 1.00 1.62 C ATOM 1839 C LEU B 66 -14.562 5.464 -6.301 1.00 1.45 C ATOM 1840 O LEU B 66 -14.129 5.962 -5.263 1.00 1.72 O ATOM 1841 CB LEU B 66 -16.566 4.668 -4.996 1.00 1.77 C ATOM 1842 CG LEU B 66 -16.008 3.412 -4.327 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -15.825 3.643 -2.836 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -16.938 2.235 -4.554 1.00 1.57 C ATOM 0 H LEU B 66 -15.861 2.951 -6.898 1.00 1.52 H new ATOM 0 HA LEU B 66 -16.615 5.796 -6.810 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -16.369 5.520 -4.346 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -17.649 4.566 -5.069 1.00 1.77 H new ATOM 0 HG LEU B 66 -15.038 3.188 -4.772 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -15.427 2.740 -2.374 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -15.130 4.468 -2.678 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -16.787 3.888 -2.385 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -16.527 1.348 -4.072 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -17.917 2.458 -4.130 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -17.039 2.052 -5.624 1.00 1.57 H new ATOM 1856 N ALA B 67 -13.813 5.267 -7.380 1.00 1.30 N ATOM 1857 CA ALA B 67 -12.376 5.555 -7.420 1.00 1.26 C ATOM 1858 C ALA B 67 -12.030 6.980 -6.981 1.00 1.28 C ATOM 1859 O ALA B 67 -12.872 7.884 -7.001 1.00 1.54 O ATOM 1860 CB ALA B 67 -11.851 5.316 -8.822 1.00 1.48 C ATOM 0 H ALA B 67 -14.183 4.902 -8.258 1.00 1.30 H new ATOM 0 HA ALA B 67 -11.900 4.882 -6.707 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -10.783 5.530 -8.852 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -12.021 4.276 -9.102 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -12.372 5.970 -9.522 1.00 1.48 H new ATOM 1866 N LEU B 68 -10.774 7.162 -6.589 1.00 1.16 N ATOM 1867 CA LEU B 68 -10.259 8.468 -6.196 1.00 1.29 C ATOM 1868 C LEU B 68 -9.873 9.291 -7.424 1.00 1.56 C ATOM 1869 O LEU B 68 -9.474 8.747 -8.453 1.00 1.55 O ATOM 1870 CB LEU B 68 -9.040 8.306 -5.277 1.00 1.25 C ATOM 1871 CG LEU B 68 -9.336 7.766 -3.876 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -8.057 7.669 -3.063 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -10.342 8.653 -3.160 1.00 1.18 C ATOM 0 H LEU B 68 -10.086 6.411 -6.535 1.00 1.16 H new ATOM 0 HA LEU B 68 -11.047 8.994 -5.657 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -8.328 7.638 -5.762 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -8.551 9.275 -5.178 1.00 1.25 H new ATOM 0 HG LEU B 68 -9.763 6.769 -3.980 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -8.286 7.283 -2.070 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -7.359 6.996 -3.562 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -7.607 8.658 -2.974 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -10.538 8.251 -2.166 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -9.939 9.662 -3.071 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -11.271 8.683 -3.729 1.00 1.18 H new ATOM 1885 N PRO B 69 -10.004 10.627 -7.309 1.00 1.93 N ATOM 1886 CA PRO B 69 -9.751 11.578 -8.407 1.00 2.36 C ATOM 1887 C PRO B 69 -8.322 11.554 -8.941 1.00 2.25 C ATOM 1888 O PRO B 69 -8.070 11.968 -10.073 1.00 2.62 O ATOM 1889 CB PRO B 69 -10.011 12.947 -7.767 1.00 2.75 C ATOM 1890 CG PRO B 69 -9.951 12.717 -6.299 1.00 2.57 C ATOM 1891 CD PRO B 69 -10.444 11.320 -6.087 1.00 2.06 C ATOM 0 HA PRO B 69 -10.379 11.333 -9.264 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -9.263 13.675 -8.081 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -10.983 13.340 -8.063 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -8.934 12.834 -5.926 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -10.571 13.436 -5.764 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -10.014 10.872 -5.191 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -11.527 11.287 -5.972 1.00 2.06 H new ATOM 1899 N GLN B 70 -7.392 11.094 -8.123 1.00 1.85 N ATOM 1900 CA GLN B 70 -5.979 11.144 -8.466 1.00 1.82 C ATOM 1901 C GLN B 70 -5.352 9.779 -8.275 1.00 1.41 C ATOM 1902 O GLN B 70 -5.871 8.962 -7.511 1.00 1.29 O ATOM 1903 CB GLN B 70 -5.272 12.172 -7.572 1.00 1.93 C ATOM 1904 CG GLN B 70 -5.154 11.743 -6.113 1.00 1.65 C ATOM 1905 CD GLN B 70 -4.909 12.907 -5.176 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -4.228 13.930 -5.661 1.00 2.66 O flip ATOM 1907 NE2 GLN B 70 -5.331 12.885 -4.024 1.00 2.76 N flip ATOM 0 H GLN B 70 -7.590 10.680 -7.212 1.00 1.85 H new ATOM 0 HA GLN B 70 -5.872 11.438 -9.510 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -4.274 12.358 -7.968 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -5.815 13.116 -7.620 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -6.068 11.229 -5.815 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -4.339 11.026 -6.015 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -5.853 12.076 -3.687 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -5.160 13.676 -3.403 1.00 2.76 H new ATOM 1916 N THR B 71 -4.254 9.512 -8.969 1.00 1.34 N ATOM 1917 CA THR B 71 -3.512 8.313 -8.675 1.00 1.13 C ATOM 1918 C THR B 71 -2.673 8.577 -7.437 1.00 0.85 C ATOM 1919 O THR B 71 -2.069 9.644 -7.292 1.00 0.83 O ATOM 1920 CB THR B 71 -2.601 7.916 -9.858 1.00 1.22 C ATOM 1921 OG1 THR B 71 -1.889 9.067 -10.336 1.00 1.53 O ATOM 1922 CG2 THR B 71 -3.412 7.303 -10.991 1.00 1.55 C ATOM 0 H THR B 71 -3.873 10.094 -9.715 1.00 1.34 H new ATOM 0 HA THR B 71 -4.203 7.487 -8.505 1.00 1.13 H new ATOM 0 HB THR B 71 -1.889 7.170 -9.504 1.00 1.22 H new ATOM 0 HG1 THR B 71 -1.312 8.807 -11.085 1.00 1.53 H new ATOM 0 HG21 THR B 71 -2.746 7.033 -11.810 1.00 1.55 H new ATOM 0 HG22 THR B 71 -3.924 6.411 -10.631 1.00 1.55 H new ATOM 0 HG23 THR B 71 -4.147 8.026 -11.344 1.00 1.55 H new ATOM 1930 N LEU B 72 -2.595 7.583 -6.579 1.00 0.80 N ATOM 1931 CA LEU B 72 -1.940 7.741 -5.295 1.00 0.66 C ATOM 1932 C LEU B 72 -0.431 7.549 -5.383 1.00 0.66 C ATOM 1933 O LEU B 72 0.303 8.324 -4.786 1.00 0.67 O ATOM 1934 CB LEU B 72 -2.577 6.825 -4.247 1.00 0.78 C ATOM 1935 CG LEU B 72 -3.822 7.398 -3.545 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -3.442 8.571 -2.657 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -4.881 7.834 -4.552 1.00 1.79 C ATOM 0 H LEU B 72 -2.978 6.653 -6.747 1.00 0.80 H new ATOM 0 HA LEU B 72 -2.092 8.772 -4.975 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -2.851 5.885 -4.727 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -1.829 6.590 -3.490 1.00 0.78 H new ATOM 0 HG LEU B 72 -4.244 6.604 -2.929 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -4.335 8.962 -2.169 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -2.731 8.239 -1.900 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -2.987 9.354 -3.264 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -5.745 8.233 -4.021 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -4.468 8.604 -5.204 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -5.188 6.977 -5.152 1.00 1.79 H new ATOM 1949 N PRO B 73 0.072 6.515 -6.098 1.00 0.75 N ATOM 1950 CA PRO B 73 1.517 6.355 -6.327 1.00 0.84 C ATOM 1951 C PRO B 73 2.199 7.644 -6.795 1.00 0.80 C ATOM 1952 O PRO B 73 3.337 7.920 -6.421 1.00 0.82 O ATOM 1953 CB PRO B 73 1.573 5.282 -7.407 1.00 1.03 C ATOM 1954 CG PRO B 73 0.385 4.435 -7.123 1.00 1.06 C ATOM 1955 CD PRO B 73 -0.689 5.384 -6.677 1.00 0.84 C ATOM 0 HA PRO B 73 2.049 6.093 -5.412 1.00 0.84 H new ATOM 0 HB2 PRO B 73 1.526 5.716 -8.406 1.00 1.03 H new ATOM 0 HB3 PRO B 73 2.497 4.707 -7.353 1.00 1.03 H new ATOM 0 HG2 PRO B 73 0.076 3.882 -8.010 1.00 1.06 H new ATOM 0 HG3 PRO B 73 0.604 3.699 -6.349 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -1.314 5.705 -7.511 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -1.350 4.926 -5.941 1.00 0.84 H new ATOM 1963 N GLU B 74 1.492 8.439 -7.594 1.00 0.78 N ATOM 1964 CA GLU B 74 2.014 9.725 -8.044 1.00 0.78 C ATOM 1965 C GLU B 74 2.115 10.697 -6.869 1.00 0.64 C ATOM 1966 O GLU B 74 3.095 11.434 -6.733 1.00 0.64 O ATOM 1967 CB GLU B 74 1.120 10.305 -9.139 1.00 0.86 C ATOM 1968 CG GLU B 74 1.623 11.623 -9.699 1.00 1.21 C ATOM 1969 CD GLU B 74 0.762 12.137 -10.828 1.00 1.47 C ATOM 1970 OE1 GLU B 74 -0.240 12.827 -10.552 1.00 2.27 O ATOM 1971 OE2 GLU B 74 1.084 11.853 -12.002 1.00 1.67 O ATOM 0 H GLU B 74 0.559 8.216 -7.942 1.00 0.78 H new ATOM 0 HA GLU B 74 3.012 9.572 -8.455 1.00 0.78 H new ATOM 0 HB2 GLU B 74 1.039 9.582 -9.951 1.00 0.86 H new ATOM 0 HB3 GLU B 74 0.116 10.449 -8.739 1.00 0.86 H new ATOM 0 HG2 GLU B 74 1.652 12.365 -8.902 1.00 1.21 H new ATOM 0 HG3 GLU B 74 2.646 11.497 -10.055 1.00 1.21 H new ATOM 1978 N ILE B 75 1.093 10.684 -6.019 1.00 0.58 N ATOM 1979 CA ILE B 75 1.087 11.481 -4.797 1.00 0.53 C ATOM 1980 C ILE B 75 2.226 11.060 -3.881 1.00 0.49 C ATOM 1981 O ILE B 75 2.887 11.900 -3.267 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.255 11.336 -4.041 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.375 12.010 -4.823 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.167 11.913 -2.633 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -1.149 13.487 -5.015 1.00 1.37 C ATOM 0 H ILE B 75 0.251 10.125 -6.156 1.00 0.58 H new ATOM 0 HA ILE B 75 1.217 12.524 -5.085 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.476 10.272 -3.950 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.469 11.532 -5.798 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -2.319 11.857 -4.301 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.127 11.794 -2.131 1.00 0.68 H new ATOM 0 HG22 ILE B 75 0.604 11.386 -2.071 1.00 0.68 H new ATOM 0 HG23 ILE B 75 0.085 12.972 -2.689 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -1.980 13.912 -5.579 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -1.083 13.975 -4.042 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -0.220 13.645 -5.563 1.00 1.37 H new ATOM 1997 N PHE B 76 2.457 9.755 -3.815 1.00 0.50 N ATOM 1998 CA PHE B 76 3.495 9.202 -2.958 1.00 0.56 C ATOM 1999 C PHE B 76 4.865 9.720 -3.376 1.00 0.59 C ATOM 2000 O PHE B 76 5.745 9.919 -2.545 1.00 0.72 O ATOM 2001 CB PHE B 76 3.494 7.671 -3.014 1.00 0.65 C ATOM 2002 CG PHE B 76 2.178 7.023 -2.678 1.00 2.06 C ATOM 2003 CD1 PHE B 76 1.204 7.691 -1.951 1.00 2.12 C ATOM 2004 CD2 PHE B 76 1.919 5.730 -3.096 1.00 2.34 C ATOM 2005 CE1 PHE B 76 0.003 7.078 -1.652 1.00 2.24 C ATOM 2006 CE2 PHE B 76 0.724 5.113 -2.798 1.00 2.35 C ATOM 2007 CZ PHE B 76 -0.236 5.787 -2.075 1.00 2.37 C ATOM 0 H PHE B 76 1.936 9.058 -4.348 1.00 0.50 H new ATOM 0 HA PHE B 76 3.284 9.519 -1.937 1.00 0.56 H new ATOM 0 HB2 PHE B 76 3.790 7.359 -4.015 1.00 0.65 H new ATOM 0 HB3 PHE B 76 4.252 7.297 -2.326 1.00 0.65 H new ATOM 0 HD1 PHE B 76 1.387 8.701 -1.615 1.00 2.12 H new ATOM 0 HD2 PHE B 76 2.666 5.196 -3.665 1.00 2.34 H new ATOM 0 HE1 PHE B 76 -0.749 7.609 -1.087 1.00 2.24 H new ATOM 0 HE2 PHE B 76 0.540 4.102 -3.131 1.00 2.35 H new ATOM 0 HZ PHE B 76 -1.174 5.305 -1.840 1.00 2.37 H new ATOM 2017 N GLU B 77 5.037 9.938 -4.669 1.00 0.62 N ATOM 2018 CA GLU B 77 6.292 10.449 -5.194 1.00 0.73 C ATOM 2019 C GLU B 77 6.489 11.912 -4.816 1.00 0.69 C ATOM 2020 O GLU B 77 7.615 12.363 -4.623 1.00 0.79 O ATOM 2021 CB GLU B 77 6.328 10.295 -6.712 1.00 0.89 C ATOM 2022 CG GLU B 77 6.373 8.850 -7.172 1.00 1.56 C ATOM 2023 CD GLU B 77 7.632 8.141 -6.725 1.00 1.93 C ATOM 2024 OE1 GLU B 77 8.672 8.289 -7.399 1.00 2.51 O ATOM 2025 OE2 GLU B 77 7.590 7.419 -5.708 1.00 2.40 O ATOM 0 H GLU B 77 4.321 9.769 -5.376 1.00 0.62 H new ATOM 0 HA GLU B 77 7.104 9.869 -4.754 1.00 0.73 H new ATOM 0 HB2 GLU B 77 5.449 10.777 -7.139 1.00 0.89 H new ATOM 0 HB3 GLU B 77 7.200 10.820 -7.102 1.00 0.89 H new ATOM 0 HG2 GLU B 77 5.503 8.320 -6.783 1.00 1.56 H new ATOM 0 HG3 GLU B 77 6.307 8.816 -8.259 1.00 1.56 H new ATOM 2032 N ALA B 78 5.390 12.646 -4.724 1.00 0.60 N ATOM 2033 CA ALA B 78 5.449 14.074 -4.450 1.00 0.61 C ATOM 2034 C ALA B 78 5.456 14.385 -2.955 1.00 0.60 C ATOM 2035 O ALA B 78 6.436 14.904 -2.425 1.00 0.64 O ATOM 2036 CB ALA B 78 4.288 14.780 -5.130 1.00 0.64 C ATOM 0 H ALA B 78 4.446 12.276 -4.835 1.00 0.60 H new ATOM 0 HA ALA B 78 6.392 14.443 -4.854 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.339 15.848 -4.920 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.344 14.618 -6.206 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.347 14.380 -4.752 1.00 0.64 H new ATOM 2042 N ALA B 79 4.366 14.045 -2.280 1.00 0.64 N ATOM 2043 CA ALA B 79 4.165 14.441 -0.889 1.00 0.75 C ATOM 2044 C ALA B 79 5.189 13.801 0.036 1.00 0.86 C ATOM 2045 O ALA B 79 5.703 14.446 0.947 1.00 0.99 O ATOM 2046 CB ALA B 79 2.758 14.079 -0.438 1.00 0.83 C ATOM 0 H ALA B 79 3.603 13.494 -2.674 1.00 0.64 H new ATOM 0 HA ALA B 79 4.298 15.521 -0.833 1.00 0.75 H new ATOM 0 HB1 ALA B 79 2.620 14.379 0.601 1.00 0.83 H new ATOM 0 HB2 ALA B 79 2.031 14.596 -1.064 1.00 0.83 H new ATOM 0 HB3 ALA B 79 2.613 13.002 -0.527 1.00 0.83 H new ATOM 2052 N ALA B 80 5.505 12.543 -0.224 1.00 0.90 N ATOM 2053 CA ALA B 80 6.364 11.774 0.664 1.00 1.11 C ATOM 2054 C ALA B 80 7.825 12.217 0.575 1.00 1.26 C ATOM 2055 O ALA B 80 8.640 11.860 1.426 1.00 1.55 O ATOM 2056 CB ALA B 80 6.231 10.293 0.356 1.00 1.25 C ATOM 0 H ALA B 80 5.179 12.031 -1.044 1.00 0.90 H new ATOM 0 HA ALA B 80 6.038 11.959 1.688 1.00 1.11 H new ATOM 0 HB1 ALA B 80 6.877 9.723 1.024 1.00 1.25 H new ATOM 0 HB2 ALA B 80 5.196 9.983 0.500 1.00 1.25 H new ATOM 0 HB3 ALA B 80 6.525 10.108 -0.677 1.00 1.25 H new ATOM 2062 N THR B 81 8.157 12.997 -0.447 1.00 1.23 N ATOM 2063 CA THR B 81 9.523 13.471 -0.613 1.00 1.46 C ATOM 2064 C THR B 81 9.623 14.959 -0.282 1.00 1.63 C ATOM 2065 O THR B 81 10.716 15.531 -0.269 1.00 1.88 O ATOM 2066 CB THR B 81 10.049 13.216 -2.045 1.00 1.59 C ATOM 2067 OG1 THR B 81 11.479 13.311 -2.071 1.00 2.33 O ATOM 2068 CG2 THR B 81 9.468 14.214 -3.033 1.00 1.64 C ATOM 0 H THR B 81 7.505 13.311 -1.166 1.00 1.23 H new ATOM 0 HA THR B 81 10.145 12.907 0.082 1.00 1.46 H new ATOM 0 HB THR B 81 9.738 12.213 -2.336 1.00 1.59 H new ATOM 0 HG1 THR B 81 11.763 14.104 -1.571 1.00 2.33 H new ATOM 0 HG21 THR B 81 9.857 14.008 -4.030 1.00 1.64 H new ATOM 0 HG22 THR B 81 8.382 14.126 -3.042 1.00 1.64 H new ATOM 0 HG23 THR B 81 9.748 15.225 -2.736 1.00 1.64 H new ATOM 2076 N GLY B 82 8.484 15.577 -0.004 1.00 1.68 N ATOM 2077 CA GLY B 82 8.461 16.993 0.284 1.00 2.13 C ATOM 2078 C GLY B 82 7.096 17.458 0.738 1.00 1.99 C ATOM 2079 O GLY B 82 6.113 17.324 0.007 1.00 2.59 O ATOM 0 H GLY B 82 7.573 15.119 0.027 1.00 1.68 H new ATOM 0 HA2 GLY B 82 9.196 17.217 1.057 1.00 2.13 H new ATOM 0 HA3 GLY B 82 8.755 17.549 -0.606 1.00 2.13 H new ATOM 2083 N LYS B 83 7.032 18.003 1.942 1.00 1.88 N ATOM 2084 CA LYS B 83 5.779 18.490 2.498 1.00 2.11 C ATOM 2085 C LYS B 83 5.521 19.922 2.053 1.00 2.84 C ATOM 2086 O LYS B 83 4.576 20.146 1.266 1.00 3.19 O ATOM 2087 CB LYS B 83 5.802 18.409 4.025 1.00 2.30 C ATOM 2088 CG LYS B 83 5.949 16.991 4.549 1.00 2.77 C ATOM 2089 CD LYS B 83 5.892 16.935 6.070 1.00 3.43 C ATOM 2090 CE LYS B 83 7.064 17.659 6.713 1.00 3.92 C ATOM 2091 NZ LYS B 83 7.013 17.584 8.196 1.00 4.40 N ATOM 2092 OXT LYS B 83 6.280 20.819 2.475 1.00 3.61 O ATOM 0 H LYS B 83 7.838 18.120 2.556 1.00 1.88 H new ATOM 0 HA LYS B 83 4.972 17.858 2.128 1.00 2.11 H new ATOM 0 HB2 LYS B 83 6.626 19.015 4.402 1.00 2.30 H new ATOM 0 HB3 LYS B 83 4.882 18.841 4.419 1.00 2.30 H new ATOM 0 HG2 LYS B 83 5.157 16.367 4.134 1.00 2.77 H new ATOM 0 HG3 LYS B 83 6.896 16.574 4.206 1.00 2.77 H new ATOM 0 HD2 LYS B 83 4.958 17.380 6.414 1.00 3.43 H new ATOM 0 HD3 LYS B 83 5.887 15.894 6.394 1.00 3.43 H new ATOM 0 HE2 LYS B 83 7.998 17.224 6.359 1.00 3.92 H new ATOM 0 HE3 LYS B 83 7.061 18.704 6.402 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 7.829 18.089 8.597 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 6.133 18.022 8.536 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 7.042 16.588 8.494 1.00 4.40 H new