USER MOD reduce.3.24.130724 H: found=0, std=0, add=1209, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1209 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 11 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0.000865) USER MOD Set 1.2: B 15 GLN : amide:sc= 0.532 K(o=1.7,f=-4.7) USER MOD Set 2.1: A 109 MET CE :methyl -166:sc= -0.12 (180deg=-0.53) USER MOD Set 2.2: A 124 MET CE :methyl 174:sc= -3.73! (180deg=-3.94!) USER MOD Set 3.1: A 75 LYS NZ :NH3+ -174:sc= -2.97! (180deg=-2.88!) USER MOD Set 3.2: B 8 THR OG1 : rot 172:sc= 0.81 USER MOD Set 4.1: A 72 MET CE :methyl -149:sc= -0.724 (180deg=-2.39) USER MOD Set 4.2: A 76 MET CE :methyl -137:sc= -0.314 (180deg=-1.95) USER MOD Set 5.1: A 60 ASN : amide:sc= -2.22! C(o=-1.3!,f=-0.76!) USER MOD Set 5.2: A 62 THR OG1 : rot -14:sc= 0.888 USER MOD Set 6.1: A 29 THR OG1 : rot -143:sc= 0.326 USER MOD Set 6.2: A 49 GLN : amide:sc= 0.0896 K(o=0.42,f=-4.2!) USER MOD Set 7.1: A 5 THR OG1 : rot 144:sc= 1.23 USER MOD Set 7.2: A 8 GLN : amide:sc= 2.17 K(o=3.4,f=0.5) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 91:sc= 1.24 USER MOD Single : A 21 LYS NZ :NH3+ -126:sc= 1.65 (180deg=-1.26) USER MOD Single : A 26 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 28 THR OG1 : rot -71:sc= 1.15 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 73:sc= 0.704 USER MOD Single : A 36 MET CE :methyl 179:sc= -2.79 (180deg=-2.84) USER MOD Single : A 38 SER OG : rot 180:sc= 1.01 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -77:sc= 1.12 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0801 X(o=-0.08,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 71 MET CE :methyl 149:sc= -0.0437 (180deg=-0.214) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -146:sc= 1.36 USER MOD Single : A 94 LYS NZ :NH3+ 127:sc= 1.22 (180deg=0.297) USER MOD Single : A 97 ASN : amide:sc= -2.05 K(o=-2.1,f=-3.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.328 USER MOD Single : A 107 HIS : no HD1:sc= 0.0577 X(o=0.058,f=-0.25) USER MOD Single : A 110 THR OG1 : rot 96:sc= 1.27 USER MOD Single : A 111 ASN : amide:sc= 0.155 K(o=0.15,f=-3.5!) USER MOD Single : A 115 LYS NZ :NH3+ 146:sc= 2.3 (180deg=1.74) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 137 ASN : amide:sc=-0.00305 K(o=-0.003,f=-5.2!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.085) USER MOD Single : A 144 MET CE :methyl -178:sc= -3.73 (180deg=-3.78) USER MOD Single : A 145 MET CE :methyl 156:sc= -0.124 (180deg=-0.597) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 146:sc= -0.212 (180deg=-1.17) USER MOD Single : B 1 MET N :NH3+ -170:sc= 2.08 (180deg=2.02) USER MOD Single : B 3 CYS SG : rot -41:sc= -3.12! USER MOD Single : B 5 CYS SG : rot -52:sc= -4.74! USER MOD Single : B 9 THR OG1 : rot 70:sc= 1.2 USER MOD Single : B 10 LYS NZ :NH3+ -172:sc= -0.143 (180deg=-0.832) USER MOD Single : B 12 TYR OH : rot 180:sc= -0.229 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0.0154 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 5 1.632 18.036 2.322 1.00 1.17 N ATOM 21 CA THR A 5 2.377 18.551 1.182 1.00 1.07 C ATOM 22 C THR A 5 1.539 18.557 -0.097 1.00 0.97 C ATOM 23 O THR A 5 0.876 17.566 -0.419 1.00 0.96 O ATOM 24 CB THR A 5 3.641 17.710 0.962 1.00 1.11 C ATOM 25 OG1 THR A 5 3.528 16.484 1.702 1.00 1.25 O ATOM 26 CG2 THR A 5 4.884 18.464 1.404 1.00 1.21 C ATOM 0 HA THR A 5 2.648 19.582 1.408 1.00 1.07 H new ATOM 0 HB THR A 5 3.736 17.496 -0.103 1.00 1.11 H new ATOM 0 HG1 THR A 5 3.935 15.754 1.190 1.00 1.25 H new ATOM 0 HG21 THR A 5 5.765 17.844 1.236 1.00 1.21 H new ATOM 0 HG22 THR A 5 4.974 19.385 0.829 1.00 1.21 H new ATOM 0 HG23 THR A 5 4.806 18.704 2.464 1.00 1.21 H new ATOM 34 N GLU A 6 1.577 19.678 -0.808 1.00 0.93 N ATOM 35 CA GLU A 6 0.825 19.827 -2.061 1.00 0.88 C ATOM 36 C GLU A 6 1.248 18.786 -3.097 1.00 0.84 C ATOM 37 O GLU A 6 0.455 18.423 -3.969 1.00 0.82 O ATOM 38 CB GLU A 6 0.957 21.244 -2.637 1.00 0.92 C ATOM 39 CG GLU A 6 0.339 22.328 -1.760 1.00 1.07 C ATOM 40 CD GLU A 6 0.397 23.701 -2.408 1.00 1.44 C ATOM 41 OE1 GLU A 6 1.486 24.309 -2.440 1.00 1.91 O ATOM 42 OE2 GLU A 6 -0.655 24.180 -2.885 1.00 1.97 O ATOM 0 H GLU A 6 2.119 20.501 -0.543 1.00 0.93 H new ATOM 0 HA GLU A 6 -0.225 19.658 -1.821 1.00 0.88 H new ATOM 0 HB2 GLU A 6 2.013 21.468 -2.785 1.00 0.92 H new ATOM 0 HB3 GLU A 6 0.485 21.272 -3.619 1.00 0.92 H new ATOM 0 HG2 GLU A 6 -0.699 22.073 -1.549 1.00 1.07 H new ATOM 0 HG3 GLU A 6 0.860 22.359 -0.803 1.00 1.07 H new ATOM 49 N GLU A 7 2.490 18.305 -2.998 1.00 0.86 N ATOM 50 CA GLU A 7 2.987 17.285 -3.921 1.00 0.85 C ATOM 51 C GLU A 7 2.102 16.051 -3.820 1.00 0.84 C ATOM 52 O GLU A 7 1.642 15.517 -4.827 1.00 0.82 O ATOM 53 CB GLU A 7 4.443 16.909 -3.605 1.00 0.90 C ATOM 54 CG GLU A 7 5.465 17.952 -4.029 1.00 1.18 C ATOM 55 CD GLU A 7 5.458 19.163 -3.128 1.00 1.58 C ATOM 56 OE1 GLU A 7 5.409 18.991 -1.890 1.00 1.98 O ATOM 57 OE2 GLU A 7 5.481 20.293 -3.645 1.00 1.76 O ATOM 0 H GLU A 7 3.164 18.603 -2.293 1.00 0.86 H new ATOM 0 HA GLU A 7 2.958 17.687 -4.934 1.00 0.85 H new ATOM 0 HB2 GLU A 7 4.538 16.740 -2.532 1.00 0.90 H new ATOM 0 HB3 GLU A 7 4.678 15.966 -4.098 1.00 0.90 H new ATOM 0 HG2 GLU A 7 6.459 17.505 -4.025 1.00 1.18 H new ATOM 0 HG3 GLU A 7 5.259 18.263 -5.053 1.00 1.18 H new ATOM 64 N GLN A 8 1.845 15.629 -2.583 1.00 0.87 N ATOM 65 CA GLN A 8 1.000 14.470 -2.331 1.00 0.89 C ATOM 66 C GLN A 8 -0.395 14.721 -2.891 1.00 0.83 C ATOM 67 O GLN A 8 -0.987 13.840 -3.513 1.00 0.81 O ATOM 68 CB GLN A 8 0.932 14.156 -0.832 1.00 0.99 C ATOM 69 CG GLN A 8 1.986 13.160 -0.357 1.00 1.24 C ATOM 70 CD GLN A 8 3.415 13.630 -0.591 1.00 1.43 C ATOM 71 OE1 GLN A 8 3.992 14.323 0.246 1.00 1.54 O ATOM 72 NE2 GLN A 8 3.999 13.251 -1.719 1.00 1.62 N ATOM 0 H GLN A 8 2.211 16.074 -1.742 1.00 0.87 H new ATOM 0 HA GLN A 8 1.434 13.605 -2.832 1.00 0.89 H new ATOM 0 HB2 GLN A 8 1.045 15.084 -0.272 1.00 0.99 H new ATOM 0 HB3 GLN A 8 -0.057 13.762 -0.599 1.00 0.99 H new ATOM 0 HG2 GLN A 8 1.843 12.972 0.707 1.00 1.24 H new ATOM 0 HG3 GLN A 8 1.835 12.211 -0.871 1.00 1.24 H new ATOM 0 HE21 GLN A 8 3.489 12.676 -2.389 1.00 1.62 H new ATOM 0 HE22 GLN A 8 4.959 13.534 -1.917 1.00 1.62 H new ATOM 81 N ILE A 9 -0.923 15.920 -2.637 1.00 0.84 N ATOM 82 CA ILE A 9 -2.230 16.316 -3.161 1.00 0.83 C ATOM 83 C ILE A 9 -2.289 16.087 -4.674 1.00 0.77 C ATOM 84 O ILE A 9 -3.267 15.551 -5.197 1.00 0.78 O ATOM 85 CB ILE A 9 -2.536 17.807 -2.854 1.00 0.87 C ATOM 86 CG1 ILE A 9 -2.631 18.050 -1.345 1.00 0.92 C ATOM 87 CG2 ILE A 9 -3.825 18.247 -3.529 1.00 0.92 C ATOM 88 CD1 ILE A 9 -3.751 17.282 -0.669 1.00 1.13 C ATOM 0 H ILE A 9 -0.464 16.634 -2.071 1.00 0.84 H new ATOM 0 HA ILE A 9 -2.981 15.699 -2.668 1.00 0.83 H new ATOM 0 HB ILE A 9 -1.712 18.399 -3.251 1.00 0.87 H new ATOM 0 HG12 ILE A 9 -1.683 17.774 -0.882 1.00 0.92 H new ATOM 0 HG13 ILE A 9 -2.775 19.116 -1.167 1.00 0.92 H new ATOM 0 HG21 ILE A 9 -4.017 19.295 -3.299 1.00 0.92 H new ATOM 0 HG22 ILE A 9 -3.731 18.124 -4.608 1.00 0.92 H new ATOM 0 HG23 ILE A 9 -4.653 17.638 -3.165 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -3.754 17.506 0.398 1.00 1.13 H new ATOM 0 HD12 ILE A 9 -4.707 17.575 -1.104 1.00 1.13 H new ATOM 0 HD13 ILE A 9 -3.598 16.213 -0.815 1.00 1.13 H new ATOM 100 N ALA A 10 -1.221 16.472 -5.361 1.00 0.74 N ATOM 101 CA ALA A 10 -1.128 16.306 -6.805 1.00 0.71 C ATOM 102 C ALA A 10 -1.066 14.825 -7.186 1.00 0.68 C ATOM 103 O ALA A 10 -1.558 14.427 -8.242 1.00 0.70 O ATOM 104 CB ALA A 10 0.088 17.050 -7.339 1.00 0.74 C ATOM 0 H ALA A 10 -0.401 16.905 -4.936 1.00 0.74 H new ATOM 0 HA ALA A 10 -2.025 16.728 -7.258 1.00 0.71 H new ATOM 0 HB1 ALA A 10 0.149 16.920 -8.419 1.00 0.74 H new ATOM 0 HB2 ALA A 10 -0.003 18.111 -7.106 1.00 0.74 H new ATOM 0 HB3 ALA A 10 0.991 16.653 -6.874 1.00 0.74 H new ATOM 110 N GLU A 11 -0.469 14.017 -6.314 1.00 0.68 N ATOM 111 CA GLU A 11 -0.345 12.578 -6.544 1.00 0.69 C ATOM 112 C GLU A 11 -1.698 11.894 -6.385 1.00 0.65 C ATOM 113 O GLU A 11 -2.110 11.103 -7.237 1.00 0.62 O ATOM 114 CB GLU A 11 0.662 11.974 -5.563 1.00 0.75 C ATOM 115 CG GLU A 11 2.068 12.523 -5.725 1.00 0.96 C ATOM 116 CD GLU A 11 3.048 11.907 -4.755 1.00 1.07 C ATOM 117 OE1 GLU A 11 2.688 11.719 -3.572 1.00 1.21 O ATOM 118 OE2 GLU A 11 4.180 11.595 -5.169 1.00 1.57 O ATOM 0 H GLU A 11 -0.061 14.336 -5.435 1.00 0.68 H new ATOM 0 HA GLU A 11 0.010 12.420 -7.562 1.00 0.69 H new ATOM 0 HB2 GLU A 11 0.322 12.161 -4.544 1.00 0.75 H new ATOM 0 HB3 GLU A 11 0.685 10.893 -5.698 1.00 0.75 H new ATOM 0 HG2 GLU A 11 2.409 12.342 -6.744 1.00 0.96 H new ATOM 0 HG3 GLU A 11 2.051 13.603 -5.581 1.00 0.96 H new ATOM 125 N PHE A 12 -2.387 12.189 -5.282 1.00 0.67 N ATOM 126 CA PHE A 12 -3.705 11.612 -5.025 1.00 0.67 C ATOM 127 C PHE A 12 -4.682 12.000 -6.127 1.00 0.66 C ATOM 128 O PHE A 12 -5.631 11.268 -6.410 1.00 0.64 O ATOM 129 CB PHE A 12 -4.224 12.030 -3.643 1.00 0.73 C ATOM 130 CG PHE A 12 -3.362 11.504 -2.521 1.00 1.01 C ATOM 131 CD1 PHE A 12 -2.999 10.166 -2.484 1.00 1.39 C ATOM 132 CD2 PHE A 12 -2.897 12.346 -1.521 1.00 1.29 C ATOM 133 CE1 PHE A 12 -2.190 9.678 -1.477 1.00 1.80 C ATOM 134 CE2 PHE A 12 -2.090 11.862 -0.508 1.00 1.66 C ATOM 135 CZ PHE A 12 -1.734 10.526 -0.487 1.00 1.85 C ATOM 0 H PHE A 12 -2.055 12.822 -4.555 1.00 0.67 H new ATOM 0 HA PHE A 12 -3.613 10.526 -5.027 1.00 0.67 H new ATOM 0 HB2 PHE A 12 -4.265 13.118 -3.587 1.00 0.73 H new ATOM 0 HB3 PHE A 12 -5.243 11.666 -3.515 1.00 0.73 H new ATOM 0 HD1 PHE A 12 -3.354 9.496 -3.253 1.00 1.39 H new ATOM 0 HD2 PHE A 12 -3.168 13.391 -1.534 1.00 1.29 H new ATOM 0 HE1 PHE A 12 -1.914 8.634 -1.464 1.00 1.80 H new ATOM 0 HE2 PHE A 12 -1.738 12.527 0.267 1.00 1.66 H new ATOM 0 HZ PHE A 12 -1.101 10.147 0.302 1.00 1.85 H new ATOM 145 N LYS A 13 -4.460 13.164 -6.729 1.00 0.67 N ATOM 146 CA LYS A 13 -5.280 13.615 -7.845 1.00 0.69 C ATOM 147 C LYS A 13 -5.260 12.552 -8.948 1.00 0.64 C ATOM 148 O LYS A 13 -6.292 12.240 -9.547 1.00 0.64 O ATOM 149 CB LYS A 13 -4.747 14.952 -8.385 1.00 0.75 C ATOM 150 CG LYS A 13 -5.298 15.342 -9.756 1.00 0.91 C ATOM 151 CD LYS A 13 -4.238 16.034 -10.606 1.00 1.14 C ATOM 152 CE LYS A 13 -3.251 15.037 -11.195 1.00 1.25 C ATOM 153 NZ LYS A 13 -1.981 15.689 -11.618 1.00 1.50 N ATOM 0 H LYS A 13 -3.719 13.811 -6.462 1.00 0.67 H new ATOM 0 HA LYS A 13 -6.305 13.764 -7.506 1.00 0.69 H new ATOM 0 HB2 LYS A 13 -4.988 15.740 -7.672 1.00 0.75 H new ATOM 0 HB3 LYS A 13 -3.660 14.898 -8.445 1.00 0.75 H new ATOM 0 HG2 LYS A 13 -5.656 14.451 -10.272 1.00 0.91 H new ATOM 0 HG3 LYS A 13 -6.155 16.004 -9.630 1.00 0.91 H new ATOM 0 HD2 LYS A 13 -4.721 16.587 -11.411 1.00 1.14 H new ATOM 0 HD3 LYS A 13 -3.701 16.762 -9.997 1.00 1.14 H new ATOM 0 HE2 LYS A 13 -3.033 14.264 -10.458 1.00 1.25 H new ATOM 0 HE3 LYS A 13 -3.706 14.540 -12.052 1.00 1.25 H new ATOM 0 HZ1 LYS A 13 -1.338 14.973 -12.013 1.00 1.50 H new ATOM 0 HZ2 LYS A 13 -2.184 16.409 -12.341 1.00 1.50 H new ATOM 0 HZ3 LYS A 13 -1.532 16.141 -10.796 1.00 1.50 H new ATOM 167 N GLU A 14 -4.082 11.969 -9.169 1.00 0.61 N ATOM 168 CA GLU A 14 -3.905 10.930 -10.177 1.00 0.59 C ATOM 169 C GLU A 14 -4.614 9.659 -9.730 1.00 0.53 C ATOM 170 O GLU A 14 -5.202 8.939 -10.541 1.00 0.53 O ATOM 171 CB GLU A 14 -2.415 10.646 -10.396 1.00 0.63 C ATOM 172 CG GLU A 14 -1.601 11.885 -10.731 1.00 0.98 C ATOM 173 CD GLU A 14 -0.119 11.596 -10.840 1.00 1.04 C ATOM 174 OE1 GLU A 14 0.409 10.841 -10.002 1.00 1.45 O ATOM 175 OE2 GLU A 14 0.523 12.120 -11.773 1.00 1.64 O ATOM 0 H GLU A 14 -3.231 12.203 -8.658 1.00 0.61 H new ATOM 0 HA GLU A 14 -4.335 11.274 -11.118 1.00 0.59 H new ATOM 0 HB2 GLU A 14 -2.006 10.185 -9.497 1.00 0.63 H new ATOM 0 HB3 GLU A 14 -2.307 9.921 -11.203 1.00 0.63 H new ATOM 0 HG2 GLU A 14 -1.956 12.305 -11.672 1.00 0.98 H new ATOM 0 HG3 GLU A 14 -1.764 12.641 -9.963 1.00 0.98 H new ATOM 182 N ALA A 15 -4.548 9.395 -8.428 1.00 0.51 N ATOM 183 CA ALA A 15 -5.198 8.236 -7.839 1.00 0.47 C ATOM 184 C ALA A 15 -6.713 8.323 -8.047 1.00 0.45 C ATOM 185 O ALA A 15 -7.337 7.386 -8.542 1.00 0.44 O ATOM 186 CB ALA A 15 -4.842 8.127 -6.362 1.00 0.48 C ATOM 0 H ALA A 15 -4.045 9.977 -7.758 1.00 0.51 H new ATOM 0 HA ALA A 15 -4.842 7.332 -8.334 1.00 0.47 H new ATOM 0 HB1 ALA A 15 -5.335 7.255 -5.932 1.00 0.48 H new ATOM 0 HB2 ALA A 15 -3.762 8.023 -6.255 1.00 0.48 H new ATOM 0 HB3 ALA A 15 -5.174 9.025 -5.841 1.00 0.48 H new ATOM 192 N PHE A 16 -7.297 9.455 -7.670 1.00 0.46 N ATOM 193 CA PHE A 16 -8.732 9.694 -7.846 1.00 0.47 C ATOM 194 C PHE A 16 -9.117 9.523 -9.317 1.00 0.48 C ATOM 195 O PHE A 16 -10.213 9.070 -9.640 1.00 0.49 O ATOM 196 CB PHE A 16 -9.084 11.115 -7.394 1.00 0.54 C ATOM 197 CG PHE A 16 -9.827 11.201 -6.090 1.00 0.49 C ATOM 198 CD1 PHE A 16 -11.195 10.997 -6.042 1.00 0.78 C ATOM 199 CD2 PHE A 16 -9.163 11.517 -4.913 1.00 0.91 C ATOM 200 CE1 PHE A 16 -11.891 11.101 -4.852 1.00 1.11 C ATOM 201 CE2 PHE A 16 -9.853 11.621 -3.719 1.00 1.22 C ATOM 202 CZ PHE A 16 -11.219 11.413 -3.689 1.00 1.23 C ATOM 0 H PHE A 16 -6.796 10.231 -7.236 1.00 0.46 H new ATOM 0 HA PHE A 16 -9.282 8.973 -7.242 1.00 0.47 H new ATOM 0 HB2 PHE A 16 -8.163 11.692 -7.309 1.00 0.54 H new ATOM 0 HB3 PHE A 16 -9.686 11.588 -8.170 1.00 0.54 H new ATOM 0 HD1 PHE A 16 -11.728 10.753 -6.949 1.00 0.78 H new ATOM 0 HD2 PHE A 16 -8.096 11.683 -4.930 1.00 0.91 H new ATOM 0 HE1 PHE A 16 -12.959 10.938 -4.833 1.00 1.11 H new ATOM 0 HE2 PHE A 16 -9.324 11.865 -2.809 1.00 1.22 H new ATOM 0 HZ PHE A 16 -11.759 11.495 -2.757 1.00 1.23 H new ATOM 212 N SER A 17 -8.187 9.872 -10.198 1.00 0.52 N ATOM 213 CA SER A 17 -8.408 9.769 -11.630 1.00 0.56 C ATOM 214 C SER A 17 -8.422 8.310 -12.096 1.00 0.49 C ATOM 215 O SER A 17 -8.922 8.008 -13.179 1.00 0.55 O ATOM 216 CB SER A 17 -7.331 10.561 -12.378 1.00 0.64 C ATOM 217 OG SER A 17 -7.323 11.924 -11.968 1.00 0.77 O ATOM 0 H SER A 17 -7.268 10.231 -9.940 1.00 0.52 H new ATOM 0 HA SER A 17 -9.388 10.191 -11.854 1.00 0.56 H new ATOM 0 HB2 SER A 17 -6.353 10.116 -12.193 1.00 0.64 H new ATOM 0 HB3 SER A 17 -7.510 10.501 -13.451 1.00 0.64 H new ATOM 0 HG SER A 17 -6.696 12.038 -11.224 1.00 0.77 H new ATOM 223 N LEU A 18 -7.878 7.401 -11.288 1.00 0.42 N ATOM 224 CA LEU A 18 -7.868 5.999 -11.667 1.00 0.38 C ATOM 225 C LEU A 18 -9.078 5.282 -11.087 1.00 0.36 C ATOM 226 O LEU A 18 -9.671 4.438 -11.764 1.00 0.38 O ATOM 227 CB LEU A 18 -6.549 5.291 -11.298 1.00 0.42 C ATOM 228 CG LEU A 18 -6.294 5.026 -9.812 1.00 0.87 C ATOM 229 CD1 LEU A 18 -6.712 3.613 -9.431 1.00 1.43 C ATOM 230 CD2 LEU A 18 -4.826 5.251 -9.483 1.00 1.02 C ATOM 0 H LEU A 18 -7.448 7.609 -10.387 1.00 0.42 H new ATOM 0 HA LEU A 18 -7.934 5.956 -12.754 1.00 0.38 H new ATOM 0 HB2 LEU A 18 -6.519 4.336 -11.822 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -5.724 5.891 -11.681 1.00 0.42 H new ATOM 0 HG LEU A 18 -6.897 5.725 -9.232 1.00 0.87 H new ATOM 0 HD11 LEU A 18 -6.520 3.450 -8.370 1.00 1.43 H new ATOM 0 HD12 LEU A 18 -7.775 3.481 -9.632 1.00 1.43 H new ATOM 0 HD13 LEU A 18 -6.140 2.894 -10.017 1.00 1.43 H new ATOM 0 HD21 LEU A 18 -4.657 5.059 -8.423 1.00 1.02 H new ATOM 0 HD22 LEU A 18 -4.212 4.574 -10.077 1.00 1.02 H new ATOM 0 HD23 LEU A 18 -4.555 6.282 -9.713 1.00 1.02 H new ATOM 242 N PHE A 19 -9.464 5.610 -9.849 1.00 0.35 N ATOM 243 CA PHE A 19 -10.628 4.984 -9.234 1.00 0.35 C ATOM 244 C PHE A 19 -11.903 5.437 -9.927 1.00 0.35 C ATOM 245 O PHE A 19 -12.814 4.646 -10.148 1.00 0.37 O ATOM 246 CB PHE A 19 -10.715 5.340 -7.743 1.00 0.35 C ATOM 247 CG PHE A 19 -9.731 4.618 -6.870 1.00 0.36 C ATOM 248 CD1 PHE A 19 -9.680 3.236 -6.858 1.00 0.41 C ATOM 249 CD2 PHE A 19 -8.872 5.323 -6.049 1.00 0.41 C ATOM 250 CE1 PHE A 19 -8.787 2.567 -6.048 1.00 0.50 C ATOM 251 CE2 PHE A 19 -7.979 4.663 -5.231 1.00 0.51 C ATOM 252 CZ PHE A 19 -7.931 3.278 -5.231 1.00 0.56 C ATOM 0 H PHE A 19 -8.990 6.298 -9.263 1.00 0.35 H new ATOM 0 HA PHE A 19 -10.519 3.905 -9.339 1.00 0.35 H new ATOM 0 HB2 PHE A 19 -10.562 6.413 -7.630 1.00 0.35 H new ATOM 0 HB3 PHE A 19 -11.723 5.122 -7.389 1.00 0.35 H new ATOM 0 HD1 PHE A 19 -10.349 2.673 -7.492 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -8.900 6.403 -6.048 1.00 0.41 H new ATOM 0 HE1 PHE A 19 -8.757 1.487 -6.053 1.00 0.50 H new ATOM 0 HE2 PHE A 19 -7.317 5.226 -4.590 1.00 0.51 H new ATOM 0 HZ PHE A 19 -7.229 2.758 -4.596 1.00 0.56 H new ATOM 262 N ASP A 20 -11.960 6.719 -10.263 1.00 0.36 N ATOM 263 CA ASP A 20 -13.127 7.285 -10.925 1.00 0.38 C ATOM 264 C ASP A 20 -13.079 7.019 -12.423 1.00 0.44 C ATOM 265 O ASP A 20 -12.016 7.101 -13.044 1.00 0.50 O ATOM 266 CB ASP A 20 -13.217 8.792 -10.671 1.00 0.40 C ATOM 267 CG ASP A 20 -14.549 9.372 -11.101 1.00 0.43 C ATOM 268 OD1 ASP A 20 -14.684 9.764 -12.280 1.00 0.54 O ATOM 269 OD2 ASP A 20 -15.473 9.430 -10.259 1.00 0.42 O ATOM 0 H ASP A 20 -11.210 7.387 -10.087 1.00 0.36 H new ATOM 0 HA ASP A 20 -14.012 6.804 -10.509 1.00 0.38 H new ATOM 0 HB2 ASP A 20 -13.064 8.989 -9.610 1.00 0.40 H new ATOM 0 HB3 ASP A 20 -12.414 9.297 -11.208 1.00 0.40 H new ATOM 274 N LYS A 21 -14.225 6.669 -12.992 1.00 0.45 N ATOM 275 CA LYS A 21 -14.320 6.396 -14.420 1.00 0.52 C ATOM 276 C LYS A 21 -15.623 6.934 -14.998 1.00 0.55 C ATOM 277 O LYS A 21 -15.952 6.676 -16.155 1.00 0.72 O ATOM 278 CB LYS A 21 -14.213 4.889 -14.684 1.00 0.53 C ATOM 279 CG LYS A 21 -12.794 4.352 -14.579 1.00 0.58 C ATOM 280 CD LYS A 21 -11.942 4.818 -15.748 1.00 0.71 C ATOM 281 CE LYS A 21 -10.461 4.711 -15.437 1.00 0.73 C ATOM 282 NZ LYS A 21 -10.038 5.682 -14.391 1.00 0.62 N ATOM 0 H LYS A 21 -15.104 6.567 -12.485 1.00 0.45 H new ATOM 0 HA LYS A 21 -13.492 6.905 -14.913 1.00 0.52 H new ATOM 0 HB2 LYS A 21 -14.847 4.358 -13.974 1.00 0.53 H new ATOM 0 HB3 LYS A 21 -14.601 4.675 -15.680 1.00 0.53 H new ATOM 0 HG2 LYS A 21 -12.345 4.684 -13.643 1.00 0.58 H new ATOM 0 HG3 LYS A 21 -12.816 3.263 -14.553 1.00 0.58 H new ATOM 0 HD2 LYS A 21 -12.174 4.220 -16.629 1.00 0.71 H new ATOM 0 HD3 LYS A 21 -12.190 5.851 -15.990 1.00 0.71 H new ATOM 0 HE2 LYS A 21 -10.233 3.698 -15.105 1.00 0.73 H new ATOM 0 HE3 LYS A 21 -9.886 4.885 -16.347 1.00 0.73 H new ATOM 0 HZ1 LYS A 21 -9.242 6.250 -14.746 1.00 0.62 H new ATOM 0 HZ2 LYS A 21 -10.834 6.310 -14.158 1.00 0.62 H new ATOM 0 HZ3 LYS A 21 -9.742 5.166 -13.538 1.00 0.62 H new ATOM 296 N ASP A 22 -16.361 7.694 -14.199 1.00 0.49 N ATOM 297 CA ASP A 22 -17.629 8.254 -14.654 1.00 0.52 C ATOM 298 C ASP A 22 -17.568 9.774 -14.772 1.00 0.53 C ATOM 299 O ASP A 22 -18.406 10.380 -15.440 1.00 0.57 O ATOM 300 CB ASP A 22 -18.788 7.849 -13.729 1.00 0.51 C ATOM 301 CG ASP A 22 -18.506 8.093 -12.255 1.00 0.47 C ATOM 302 OD1 ASP A 22 -17.683 8.962 -11.928 1.00 0.47 O ATOM 303 OD2 ASP A 22 -19.103 7.404 -11.400 1.00 0.47 O ATOM 0 H ASP A 22 -16.107 7.936 -13.241 1.00 0.49 H new ATOM 0 HA ASP A 22 -17.813 7.840 -15.646 1.00 0.52 H new ATOM 0 HB2 ASP A 22 -19.681 8.404 -14.016 1.00 0.51 H new ATOM 0 HB3 ASP A 22 -19.008 6.792 -13.878 1.00 0.51 H new ATOM 308 N GLY A 23 -16.584 10.391 -14.131 1.00 0.52 N ATOM 309 CA GLY A 23 -16.465 11.833 -14.190 1.00 0.55 C ATOM 310 C GLY A 23 -17.277 12.521 -13.110 1.00 0.54 C ATOM 311 O GLY A 23 -17.472 13.739 -13.152 1.00 0.59 O ATOM 0 H GLY A 23 -15.870 9.921 -13.574 1.00 0.52 H new ATOM 0 HA2 GLY A 23 -15.417 12.114 -14.088 1.00 0.55 H new ATOM 0 HA3 GLY A 23 -16.795 12.183 -15.168 1.00 0.55 H new ATOM 315 N ASP A 24 -17.763 11.746 -12.151 1.00 0.50 N ATOM 316 CA ASP A 24 -18.559 12.295 -11.066 1.00 0.51 C ATOM 317 C ASP A 24 -17.648 12.806 -9.949 1.00 0.51 C ATOM 318 O ASP A 24 -18.003 13.733 -9.216 1.00 0.58 O ATOM 319 CB ASP A 24 -19.568 11.243 -10.574 1.00 0.50 C ATOM 320 CG ASP A 24 -19.267 10.694 -9.198 1.00 0.47 C ATOM 321 OD1 ASP A 24 -18.390 9.811 -9.083 1.00 0.44 O ATOM 322 OD2 ASP A 24 -19.923 11.124 -8.228 1.00 0.57 O ATOM 0 H ASP A 24 -17.620 10.737 -12.103 1.00 0.50 H new ATOM 0 HA ASP A 24 -19.132 13.150 -11.423 1.00 0.51 H new ATOM 0 HB2 ASP A 24 -20.564 11.686 -10.567 1.00 0.50 H new ATOM 0 HB3 ASP A 24 -19.592 10.418 -11.285 1.00 0.50 H new ATOM 327 N GLY A 25 -16.467 12.207 -9.831 1.00 0.47 N ATOM 328 CA GLY A 25 -15.501 12.654 -8.840 1.00 0.50 C ATOM 329 C GLY A 25 -15.612 11.951 -7.503 1.00 0.50 C ATOM 330 O GLY A 25 -14.914 12.308 -6.554 1.00 0.74 O ATOM 0 H GLY A 25 -16.160 11.420 -10.403 1.00 0.47 H new ATOM 0 HA2 GLY A 25 -14.496 12.503 -9.235 1.00 0.50 H new ATOM 0 HA3 GLY A 25 -15.625 13.726 -8.686 1.00 0.50 H new ATOM 334 N THR A 26 -16.478 10.961 -7.412 1.00 0.41 N ATOM 335 CA THR A 26 -16.647 10.232 -6.172 1.00 0.39 C ATOM 336 C THR A 26 -16.404 8.740 -6.389 1.00 0.34 C ATOM 337 O THR A 26 -16.500 8.245 -7.523 1.00 0.37 O ATOM 338 CB THR A 26 -18.047 10.465 -5.580 1.00 0.42 C ATOM 339 OG1 THR A 26 -18.545 11.734 -6.024 1.00 0.47 O ATOM 340 CG2 THR A 26 -18.009 10.444 -4.058 1.00 0.46 C ATOM 0 H THR A 26 -17.073 10.645 -8.178 1.00 0.41 H new ATOM 0 HA THR A 26 -15.911 10.606 -5.460 1.00 0.39 H new ATOM 0 HB THR A 26 -18.702 9.663 -5.920 1.00 0.42 H new ATOM 0 HG1 THR A 26 -18.859 11.657 -6.949 1.00 0.47 H new ATOM 0 HG21 THR A 26 -19.012 10.611 -3.667 1.00 0.46 H new ATOM 0 HG22 THR A 26 -17.643 9.476 -3.717 1.00 0.46 H new ATOM 0 HG23 THR A 26 -17.344 11.230 -3.700 1.00 0.46 H new ATOM 348 N ILE A 27 -16.094 8.033 -5.310 1.00 0.33 N ATOM 349 CA ILE A 27 -15.812 6.608 -5.381 1.00 0.31 C ATOM 350 C ILE A 27 -17.074 5.767 -5.197 1.00 0.32 C ATOM 351 O ILE A 27 -17.821 5.944 -4.237 1.00 0.41 O ATOM 352 CB ILE A 27 -14.766 6.198 -4.319 1.00 0.33 C ATOM 353 CG1 ILE A 27 -13.354 6.565 -4.773 1.00 0.34 C ATOM 354 CG2 ILE A 27 -14.838 4.711 -4.010 1.00 0.37 C ATOM 355 CD1 ILE A 27 -12.656 7.531 -3.844 1.00 0.37 C ATOM 0 H ILE A 27 -16.032 8.427 -4.371 1.00 0.33 H new ATOM 0 HA ILE A 27 -15.413 6.417 -6.377 1.00 0.31 H new ATOM 0 HB ILE A 27 -15.000 6.749 -3.408 1.00 0.33 H new ATOM 0 HG12 ILE A 27 -12.759 5.656 -4.853 1.00 0.34 H new ATOM 0 HG13 ILE A 27 -13.403 7.003 -5.770 1.00 0.34 H new ATOM 0 HG21 ILE A 27 -14.089 4.459 -3.260 1.00 0.37 H new ATOM 0 HG22 ILE A 27 -15.830 4.466 -3.629 1.00 0.37 H new ATOM 0 HG23 ILE A 27 -14.647 4.141 -4.919 1.00 0.37 H new ATOM 0 HD11 ILE A 27 -11.659 7.748 -4.227 1.00 0.37 H new ATOM 0 HD12 ILE A 27 -13.230 8.456 -3.782 1.00 0.37 H new ATOM 0 HD13 ILE A 27 -12.575 7.087 -2.852 1.00 0.37 H new ATOM 367 N THR A 28 -17.300 4.861 -6.138 1.00 0.31 N ATOM 368 CA THR A 28 -18.439 3.960 -6.086 1.00 0.33 C ATOM 369 C THR A 28 -17.929 2.520 -6.041 1.00 0.32 C ATOM 370 O THR A 28 -16.728 2.287 -6.194 1.00 0.33 O ATOM 371 CB THR A 28 -19.369 4.167 -7.300 1.00 0.37 C ATOM 372 OG1 THR A 28 -18.665 3.876 -8.511 1.00 0.39 O ATOM 373 CG2 THR A 28 -19.884 5.600 -7.345 1.00 0.41 C ATOM 0 H THR A 28 -16.702 4.731 -6.954 1.00 0.31 H new ATOM 0 HA THR A 28 -19.021 4.173 -5.189 1.00 0.33 H new ATOM 0 HB THR A 28 -20.218 3.490 -7.200 1.00 0.37 H new ATOM 0 HG1 THR A 28 -18.006 4.580 -8.683 1.00 0.39 H new ATOM 0 HG21 THR A 28 -20.538 5.725 -8.208 1.00 0.41 H new ATOM 0 HG22 THR A 28 -20.442 5.815 -6.433 1.00 0.41 H new ATOM 0 HG23 THR A 28 -19.042 6.287 -7.426 1.00 0.41 H new ATOM 381 N THR A 29 -18.821 1.556 -5.865 1.00 0.32 N ATOM 382 CA THR A 29 -18.407 0.159 -5.791 1.00 0.34 C ATOM 383 C THR A 29 -18.190 -0.392 -7.195 1.00 0.34 C ATOM 384 O THR A 29 -17.386 -1.300 -7.416 1.00 0.38 O ATOM 385 CB THR A 29 -19.464 -0.692 -5.063 1.00 0.38 C ATOM 386 OG1 THR A 29 -20.059 0.073 -3.999 1.00 0.57 O ATOM 387 CG2 THR A 29 -18.834 -1.960 -4.502 1.00 0.60 C ATOM 0 H THR A 29 -19.825 1.710 -5.772 1.00 0.32 H new ATOM 0 HA THR A 29 -17.475 0.110 -5.229 1.00 0.34 H new ATOM 0 HB THR A 29 -20.237 -0.975 -5.778 1.00 0.38 H new ATOM 0 HG1 THR A 29 -20.231 -0.512 -3.232 1.00 0.57 H new ATOM 0 HG21 THR A 29 -19.595 -2.549 -3.991 1.00 0.60 H new ATOM 0 HG22 THR A 29 -18.408 -2.546 -5.317 1.00 0.60 H new ATOM 0 HG23 THR A 29 -18.047 -1.694 -3.796 1.00 0.60 H new ATOM 395 N LYS A 30 -18.909 0.196 -8.134 1.00 0.35 N ATOM 396 CA LYS A 30 -18.846 -0.185 -9.537 1.00 0.39 C ATOM 397 C LYS A 30 -17.497 0.148 -10.166 1.00 0.36 C ATOM 398 O LYS A 30 -16.958 -0.619 -10.971 1.00 0.37 O ATOM 399 CB LYS A 30 -19.960 0.543 -10.287 1.00 0.46 C ATOM 400 CG LYS A 30 -19.739 0.644 -11.785 1.00 0.74 C ATOM 401 CD LYS A 30 -20.657 1.676 -12.404 1.00 1.11 C ATOM 402 CE LYS A 30 -20.259 1.995 -13.830 1.00 1.68 C ATOM 403 NZ LYS A 30 -21.039 3.137 -14.368 1.00 2.22 N ATOM 0 H LYS A 30 -19.559 0.958 -7.944 1.00 0.35 H new ATOM 0 HA LYS A 30 -18.972 -1.265 -9.606 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -20.903 0.027 -10.104 1.00 0.46 H new ATOM 0 HB3 LYS A 30 -20.062 1.548 -9.878 1.00 0.46 H new ATOM 0 HG2 LYS A 30 -18.701 0.910 -11.985 1.00 0.74 H new ATOM 0 HG3 LYS A 30 -19.914 -0.327 -12.248 1.00 0.74 H new ATOM 0 HD2 LYS A 30 -21.683 1.308 -12.386 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -20.635 2.588 -11.807 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -19.195 2.229 -13.869 1.00 1.68 H new ATOM 0 HE3 LYS A 30 -20.415 1.118 -14.458 1.00 1.68 H new ATOM 0 HZ1 LYS A 30 -20.742 3.330 -15.346 1.00 2.22 H new ATOM 0 HZ2 LYS A 30 -22.052 2.903 -14.353 1.00 2.22 H new ATOM 0 HZ3 LYS A 30 -20.870 3.980 -13.782 1.00 2.22 H new ATOM 417 N GLU A 31 -16.944 1.283 -9.790 1.00 0.37 N ATOM 418 CA GLU A 31 -15.678 1.754 -10.345 1.00 0.37 C ATOM 419 C GLU A 31 -14.474 1.003 -9.785 1.00 0.36 C ATOM 420 O GLU A 31 -13.683 0.433 -10.539 1.00 0.38 O ATOM 421 CB GLU A 31 -15.542 3.253 -10.058 1.00 0.37 C ATOM 422 CG GLU A 31 -16.536 4.099 -10.841 1.00 0.42 C ATOM 423 CD GLU A 31 -16.594 5.539 -10.376 1.00 0.40 C ATOM 424 OE1 GLU A 31 -17.079 5.800 -9.253 1.00 0.39 O ATOM 425 OE2 GLU A 31 -16.190 6.439 -11.135 1.00 0.42 O ATOM 0 H GLU A 31 -17.352 1.907 -9.094 1.00 0.37 H new ATOM 0 HA GLU A 31 -15.691 1.566 -11.419 1.00 0.37 H new ATOM 0 HB2 GLU A 31 -15.685 3.428 -8.992 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -14.529 3.574 -10.301 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -16.269 4.076 -11.898 1.00 0.42 H new ATOM 0 HG3 GLU A 31 -17.528 3.656 -10.753 1.00 0.42 H new ATOM 432 N LEU A 32 -14.360 0.979 -8.464 1.00 0.35 N ATOM 433 CA LEU A 32 -13.248 0.303 -7.807 1.00 0.35 C ATOM 434 C LEU A 32 -13.272 -1.191 -8.112 1.00 0.36 C ATOM 435 O LEU A 32 -12.224 -1.824 -8.261 1.00 0.38 O ATOM 436 CB LEU A 32 -13.281 0.554 -6.294 1.00 0.35 C ATOM 437 CG LEU A 32 -12.571 1.837 -5.826 1.00 0.41 C ATOM 438 CD1 LEU A 32 -13.127 3.059 -6.538 1.00 0.50 C ATOM 439 CD2 LEU A 32 -12.694 2.009 -4.322 1.00 0.44 C ATOM 0 H LEU A 32 -15.023 1.419 -7.826 1.00 0.35 H new ATOM 0 HA LEU A 32 -12.317 0.713 -8.198 1.00 0.35 H new ATOM 0 HB2 LEU A 32 -14.321 0.596 -5.972 1.00 0.35 H new ATOM 0 HB3 LEU A 32 -12.825 -0.299 -5.791 1.00 0.35 H new ATOM 0 HG LEU A 32 -11.515 1.740 -6.079 1.00 0.41 H new ATOM 0 HD11 LEU A 32 -12.608 3.951 -6.189 1.00 0.50 H new ATOM 0 HD12 LEU A 32 -12.981 2.952 -7.613 1.00 0.50 H new ATOM 0 HD13 LEU A 32 -14.192 3.152 -6.324 1.00 0.50 H new ATOM 0 HD21 LEU A 32 -12.184 2.923 -4.017 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -13.747 2.073 -4.048 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -12.239 1.155 -3.820 1.00 0.44 H new ATOM 451 N GLY A 33 -14.479 -1.740 -8.226 1.00 0.39 N ATOM 452 CA GLY A 33 -14.631 -3.151 -8.531 1.00 0.42 C ATOM 453 C GLY A 33 -14.046 -3.510 -9.883 1.00 0.46 C ATOM 454 O GLY A 33 -13.482 -4.588 -10.057 1.00 0.50 O ATOM 0 H GLY A 33 -15.355 -1.231 -8.112 1.00 0.39 H new ATOM 0 HA2 GLY A 33 -14.143 -3.743 -7.757 1.00 0.42 H new ATOM 0 HA3 GLY A 33 -15.689 -3.413 -8.513 1.00 0.42 H new ATOM 458 N THR A 34 -14.166 -2.597 -10.843 1.00 0.46 N ATOM 459 CA THR A 34 -13.638 -2.820 -12.181 1.00 0.52 C ATOM 460 C THR A 34 -12.109 -2.968 -12.154 1.00 0.53 C ATOM 461 O THR A 34 -11.543 -3.793 -12.872 1.00 0.56 O ATOM 462 CB THR A 34 -14.049 -1.679 -13.142 1.00 0.54 C ATOM 463 OG1 THR A 34 -15.479 -1.629 -13.253 1.00 0.58 O ATOM 464 CG2 THR A 34 -13.435 -1.878 -14.523 1.00 0.60 C ATOM 0 H THR A 34 -14.625 -1.695 -10.717 1.00 0.46 H new ATOM 0 HA THR A 34 -14.068 -3.751 -12.551 1.00 0.52 H new ATOM 0 HB THR A 34 -13.679 -0.739 -12.733 1.00 0.54 H new ATOM 0 HG1 THR A 34 -15.858 -1.259 -12.429 1.00 0.58 H new ATOM 0 HG21 THR A 34 -13.740 -1.062 -15.178 1.00 0.60 H new ATOM 0 HG22 THR A 34 -12.348 -1.889 -14.440 1.00 0.60 H new ATOM 0 HG23 THR A 34 -13.777 -2.825 -14.940 1.00 0.60 H new ATOM 472 N VAL A 35 -11.442 -2.197 -11.300 1.00 0.53 N ATOM 473 CA VAL A 35 -9.984 -2.266 -11.192 1.00 0.55 C ATOM 474 C VAL A 35 -9.565 -3.560 -10.507 1.00 0.57 C ATOM 475 O VAL A 35 -8.614 -4.227 -10.920 1.00 0.58 O ATOM 476 CB VAL A 35 -9.424 -1.068 -10.399 1.00 0.58 C ATOM 477 CG1 VAL A 35 -7.903 -1.079 -10.386 1.00 0.63 C ATOM 478 CG2 VAL A 35 -9.943 0.238 -10.975 1.00 0.60 C ATOM 0 H VAL A 35 -11.882 -1.521 -10.676 1.00 0.53 H new ATOM 0 HA VAL A 35 -9.578 -2.237 -12.203 1.00 0.55 H new ATOM 0 HB VAL A 35 -9.768 -1.156 -9.368 1.00 0.58 H new ATOM 0 HG11 VAL A 35 -7.538 -0.222 -9.819 1.00 0.63 H new ATOM 0 HG12 VAL A 35 -7.550 -1.999 -9.921 1.00 0.63 H new ATOM 0 HG13 VAL A 35 -7.530 -1.023 -11.409 1.00 0.63 H new ATOM 0 HG21 VAL A 35 -9.538 1.074 -10.404 1.00 0.60 H new ATOM 0 HG22 VAL A 35 -9.632 0.326 -12.016 1.00 0.60 H new ATOM 0 HG23 VAL A 35 -11.031 0.253 -10.919 1.00 0.60 H new ATOM 488 N MET A 36 -10.307 -3.920 -9.468 1.00 0.58 N ATOM 489 CA MET A 36 -10.053 -5.133 -8.704 1.00 0.62 C ATOM 490 C MET A 36 -10.282 -6.383 -9.563 1.00 0.62 C ATOM 491 O MET A 36 -9.875 -7.487 -9.208 1.00 0.67 O ATOM 492 CB MET A 36 -10.959 -5.150 -7.474 1.00 0.65 C ATOM 493 CG MET A 36 -10.389 -5.927 -6.303 1.00 0.82 C ATOM 494 SD MET A 36 -11.632 -6.301 -5.054 1.00 0.92 S ATOM 495 CE MET A 36 -12.174 -4.649 -4.618 1.00 1.07 C ATOM 0 H MET A 36 -11.103 -3.378 -9.131 1.00 0.58 H new ATOM 0 HA MET A 36 -9.010 -5.141 -8.386 1.00 0.62 H new ATOM 0 HB2 MET A 36 -11.148 -4.124 -7.159 1.00 0.65 H new ATOM 0 HB3 MET A 36 -11.922 -5.581 -7.750 1.00 0.65 H new ATOM 0 HG2 MET A 36 -9.952 -6.857 -6.666 1.00 0.82 H new ATOM 0 HG3 MET A 36 -9.582 -5.352 -5.848 1.00 0.82 H new ATOM 0 HE1 MET A 36 -12.959 -4.711 -3.865 1.00 1.07 H new ATOM 0 HE2 MET A 36 -11.332 -4.083 -4.219 1.00 1.07 H new ATOM 0 HE3 MET A 36 -12.561 -4.147 -5.505 1.00 1.07 H new ATOM 505 N ARG A 37 -10.876 -6.173 -10.728 1.00 0.60 N ATOM 506 CA ARG A 37 -11.161 -7.260 -11.657 1.00 0.63 C ATOM 507 C ARG A 37 -9.929 -7.513 -12.525 1.00 0.65 C ATOM 508 O ARG A 37 -9.547 -8.656 -12.774 1.00 0.68 O ATOM 509 CB ARG A 37 -12.371 -6.906 -12.534 1.00 0.64 C ATOM 510 CG ARG A 37 -12.691 -7.943 -13.599 1.00 0.72 C ATOM 511 CD ARG A 37 -13.027 -7.272 -14.916 1.00 0.83 C ATOM 512 NE ARG A 37 -12.015 -6.285 -15.277 1.00 0.86 N ATOM 513 CZ ARG A 37 -12.249 -5.216 -16.026 1.00 1.25 C ATOM 514 NH1 ARG A 37 -13.455 -5.004 -16.535 1.00 1.82 N ATOM 515 NH2 ARG A 37 -11.277 -4.344 -16.251 1.00 1.32 N ATOM 0 H ARG A 37 -11.172 -5.254 -11.056 1.00 0.60 H new ATOM 0 HA ARG A 37 -11.400 -8.164 -11.097 1.00 0.63 H new ATOM 0 HB2 ARG A 37 -13.244 -6.776 -11.894 1.00 0.64 H new ATOM 0 HB3 ARG A 37 -12.186 -5.948 -13.019 1.00 0.64 H new ATOM 0 HG2 ARG A 37 -11.839 -8.610 -13.732 1.00 0.72 H new ATOM 0 HG3 ARG A 37 -13.530 -8.558 -13.274 1.00 0.72 H new ATOM 0 HD2 ARG A 37 -13.102 -8.024 -15.702 1.00 0.83 H new ATOM 0 HD3 ARG A 37 -14.001 -6.788 -14.843 1.00 0.83 H new ATOM 0 HE ARG A 37 -11.066 -6.426 -14.931 1.00 0.86 H new ATOM 0 HH11 ARG A 37 -14.210 -5.665 -16.351 1.00 1.82 H new ATOM 0 HH12 ARG A 37 -13.628 -4.180 -17.110 1.00 1.82 H new ATOM 0 HH21 ARG A 37 -10.352 -4.496 -15.849 1.00 1.32 H new ATOM 0 HH22 ARG A 37 -11.454 -3.521 -16.827 1.00 1.32 H new ATOM 529 N SER A 38 -9.287 -6.421 -12.941 1.00 0.64 N ATOM 530 CA SER A 38 -8.096 -6.476 -13.782 1.00 0.68 C ATOM 531 C SER A 38 -6.896 -7.041 -13.016 1.00 0.66 C ATOM 532 O SER A 38 -5.864 -7.366 -13.602 1.00 0.69 O ATOM 533 CB SER A 38 -7.788 -5.077 -14.314 1.00 0.70 C ATOM 534 OG SER A 38 -8.962 -4.464 -14.823 1.00 0.80 O ATOM 0 H SER A 38 -9.580 -5.474 -12.703 1.00 0.64 H new ATOM 0 HA SER A 38 -8.290 -7.147 -14.619 1.00 0.68 H new ATOM 0 HB2 SER A 38 -7.368 -4.464 -13.517 1.00 0.70 H new ATOM 0 HB3 SER A 38 -7.034 -5.139 -15.099 1.00 0.70 H new ATOM 0 HG SER A 38 -8.745 -3.569 -15.157 1.00 0.80 H new ATOM 540 N LEU A 39 -7.041 -7.162 -11.700 1.00 0.66 N ATOM 541 CA LEU A 39 -5.982 -7.715 -10.864 1.00 0.67 C ATOM 542 C LEU A 39 -6.086 -9.236 -10.838 1.00 0.73 C ATOM 543 O LEU A 39 -5.464 -9.901 -10.015 1.00 0.86 O ATOM 544 CB LEU A 39 -6.059 -7.169 -9.432 1.00 0.62 C ATOM 545 CG LEU A 39 -5.634 -5.710 -9.258 1.00 0.58 C ATOM 546 CD1 LEU A 39 -6.039 -5.203 -7.882 1.00 0.60 C ATOM 547 CD2 LEU A 39 -4.130 -5.567 -9.456 1.00 0.57 C ATOM 0 H LEU A 39 -7.880 -6.885 -11.191 1.00 0.66 H new ATOM 0 HA LEU A 39 -5.024 -7.417 -11.291 1.00 0.67 H new ATOM 0 HB2 LEU A 39 -7.084 -7.275 -9.076 1.00 0.62 H new ATOM 0 HB3 LEU A 39 -5.433 -7.790 -8.791 1.00 0.62 H new ATOM 0 HG LEU A 39 -6.140 -5.108 -10.013 1.00 0.58 H new ATOM 0 HD11 LEU A 39 -5.730 -4.163 -7.772 1.00 0.60 H new ATOM 0 HD12 LEU A 39 -7.121 -5.274 -7.772 1.00 0.60 H new ATOM 0 HD13 LEU A 39 -5.556 -5.808 -7.115 1.00 0.60 H new ATOM 0 HD21 LEU A 39 -3.844 -4.523 -9.329 1.00 0.57 H new ATOM 0 HD22 LEU A 39 -3.607 -6.179 -8.721 1.00 0.57 H new ATOM 0 HD23 LEU A 39 -3.862 -5.897 -10.460 1.00 0.57 H new ATOM 559 N GLY A 40 -6.892 -9.775 -11.744 1.00 0.74 N ATOM 560 CA GLY A 40 -7.080 -11.206 -11.822 1.00 0.82 C ATOM 561 C GLY A 40 -7.945 -11.727 -10.697 1.00 0.79 C ATOM 562 O GLY A 40 -7.845 -12.889 -10.310 1.00 0.89 O ATOM 0 H GLY A 40 -7.422 -9.239 -12.431 1.00 0.74 H new ATOM 0 HA2 GLY A 40 -7.538 -11.460 -12.778 1.00 0.82 H new ATOM 0 HA3 GLY A 40 -6.109 -11.701 -11.792 1.00 0.82 H new ATOM 566 N GLN A 41 -8.787 -10.855 -10.162 1.00 0.80 N ATOM 567 CA GLN A 41 -9.683 -11.227 -9.083 1.00 0.79 C ATOM 568 C GLN A 41 -11.121 -10.963 -9.489 1.00 0.77 C ATOM 569 O GLN A 41 -11.430 -9.941 -10.100 1.00 0.92 O ATOM 570 CB GLN A 41 -9.363 -10.452 -7.801 1.00 0.82 C ATOM 571 CG GLN A 41 -8.079 -10.894 -7.115 1.00 0.93 C ATOM 572 CD GLN A 41 -7.671 -9.963 -5.992 1.00 1.02 C ATOM 573 OE1 GLN A 41 -8.118 -10.104 -4.855 1.00 1.25 O ATOM 574 NE2 GLN A 41 -6.805 -9.009 -6.300 1.00 1.23 N ATOM 0 H GLN A 41 -8.867 -9.883 -10.460 1.00 0.80 H new ATOM 0 HA GLN A 41 -9.545 -12.290 -8.885 1.00 0.79 H new ATOM 0 HB2 GLN A 41 -9.289 -9.391 -8.039 1.00 0.82 H new ATOM 0 HB3 GLN A 41 -10.193 -10.565 -7.104 1.00 0.82 H new ATOM 0 HG2 GLN A 41 -8.211 -11.901 -6.718 1.00 0.93 H new ATOM 0 HG3 GLN A 41 -7.276 -10.944 -7.851 1.00 0.93 H new ATOM 0 HE21 GLN A 41 -6.457 -8.925 -7.255 1.00 1.23 H new ATOM 0 HE22 GLN A 41 -6.486 -8.359 -5.582 1.00 1.23 H new ATOM 583 N ASN A 42 -11.991 -11.900 -9.167 1.00 0.69 N ATOM 584 CA ASN A 42 -13.406 -11.770 -9.474 1.00 0.69 C ATOM 585 C ASN A 42 -14.198 -11.848 -8.181 1.00 0.65 C ATOM 586 O ASN A 42 -14.706 -12.908 -7.816 1.00 0.74 O ATOM 587 CB ASN A 42 -13.863 -12.864 -10.447 1.00 0.76 C ATOM 588 CG ASN A 42 -13.229 -12.731 -11.821 1.00 1.02 C ATOM 589 OD1 ASN A 42 -13.815 -12.154 -12.737 1.00 1.37 O ATOM 590 ND2 ASN A 42 -12.030 -13.270 -11.977 1.00 1.33 N ATOM 0 H ASN A 42 -11.742 -12.766 -8.689 1.00 0.69 H new ATOM 0 HA ASN A 42 -13.579 -10.808 -9.957 1.00 0.69 H new ATOM 0 HB2 ASN A 42 -13.616 -13.841 -10.031 1.00 0.76 H new ATOM 0 HB3 ASN A 42 -14.948 -12.825 -10.547 1.00 0.76 H new ATOM 0 HD21 ASN A 42 -11.560 -13.215 -12.881 1.00 1.33 H new ATOM 0 HD22 ASN A 42 -11.576 -13.740 -11.194 1.00 1.33 H new ATOM 597 N PRO A 43 -14.279 -10.730 -7.455 1.00 0.60 N ATOM 598 CA PRO A 43 -14.976 -10.652 -6.177 1.00 0.61 C ATOM 599 C PRO A 43 -16.477 -10.461 -6.356 1.00 0.56 C ATOM 600 O PRO A 43 -16.920 -9.704 -7.223 1.00 0.55 O ATOM 601 CB PRO A 43 -14.336 -9.418 -5.506 1.00 0.65 C ATOM 602 CG PRO A 43 -13.314 -8.899 -6.471 1.00 0.74 C ATOM 603 CD PRO A 43 -13.710 -9.430 -7.812 1.00 0.66 C ATOM 0 HA PRO A 43 -14.879 -11.566 -5.590 1.00 0.61 H new ATOM 0 HB2 PRO A 43 -15.088 -8.659 -5.290 1.00 0.65 H new ATOM 0 HB3 PRO A 43 -13.873 -9.688 -4.557 1.00 0.65 H new ATOM 0 HG2 PRO A 43 -13.296 -7.809 -6.472 1.00 0.74 H new ATOM 0 HG3 PRO A 43 -12.313 -9.234 -6.198 1.00 0.74 H new ATOM 0 HD2 PRO A 43 -14.436 -8.787 -8.310 1.00 0.66 H new ATOM 0 HD3 PRO A 43 -12.857 -9.526 -8.483 1.00 0.66 H new ATOM 611 N THR A 44 -17.255 -11.161 -5.549 1.00 0.58 N ATOM 612 CA THR A 44 -18.701 -11.061 -5.613 1.00 0.58 C ATOM 613 C THR A 44 -19.169 -9.747 -4.987 1.00 0.52 C ATOM 614 O THR A 44 -18.368 -9.033 -4.382 1.00 0.49 O ATOM 615 CB THR A 44 -19.373 -12.256 -4.903 1.00 0.67 C ATOM 616 OG1 THR A 44 -18.789 -12.458 -3.606 1.00 0.91 O ATOM 617 CG2 THR A 44 -19.225 -13.525 -5.733 1.00 1.04 C ATOM 0 H THR A 44 -16.907 -11.807 -4.840 1.00 0.58 H new ATOM 0 HA THR A 44 -18.994 -11.080 -6.663 1.00 0.58 H new ATOM 0 HB THR A 44 -20.433 -12.031 -4.788 1.00 0.67 H new ATOM 0 HG1 THR A 44 -17.920 -12.900 -3.704 1.00 0.91 H new ATOM 0 HG21 THR A 44 -19.705 -14.356 -5.216 1.00 1.04 H new ATOM 0 HG22 THR A 44 -19.697 -13.381 -6.705 1.00 1.04 H new ATOM 0 HG23 THR A 44 -18.167 -13.747 -5.873 1.00 1.04 H new ATOM 625 N GLU A 45 -20.440 -9.423 -5.165 1.00 0.53 N ATOM 626 CA GLU A 45 -21.015 -8.198 -4.611 1.00 0.54 C ATOM 627 C GLU A 45 -20.646 -8.010 -3.137 1.00 0.50 C ATOM 628 O GLU A 45 -20.176 -6.944 -2.742 1.00 0.54 O ATOM 629 CB GLU A 45 -22.531 -8.206 -4.761 1.00 0.62 C ATOM 630 CG GLU A 45 -23.209 -7.029 -4.090 1.00 0.97 C ATOM 631 CD GLU A 45 -24.714 -7.167 -4.067 1.00 1.50 C ATOM 632 OE1 GLU A 45 -25.223 -8.101 -3.417 1.00 2.18 O ATOM 633 OE2 GLU A 45 -25.400 -6.344 -4.704 1.00 1.89 O ATOM 0 H GLU A 45 -21.101 -9.993 -5.692 1.00 0.53 H new ATOM 0 HA GLU A 45 -20.597 -7.363 -5.174 1.00 0.54 H new ATOM 0 HB2 GLU A 45 -22.784 -8.205 -5.821 1.00 0.62 H new ATOM 0 HB3 GLU A 45 -22.925 -9.131 -4.340 1.00 0.62 H new ATOM 0 HG2 GLU A 45 -22.840 -6.935 -3.069 1.00 0.97 H new ATOM 0 HG3 GLU A 45 -22.939 -6.111 -4.613 1.00 0.97 H new ATOM 640 N ALA A 46 -20.831 -9.054 -2.327 1.00 0.51 N ATOM 641 CA ALA A 46 -20.533 -8.986 -0.906 1.00 0.54 C ATOM 642 C ALA A 46 -19.064 -8.688 -0.650 1.00 0.50 C ATOM 643 O ALA A 46 -18.730 -7.887 0.222 1.00 0.51 O ATOM 644 CB ALA A 46 -20.927 -10.295 -0.241 1.00 0.63 C ATOM 0 H ALA A 46 -21.188 -9.958 -2.638 1.00 0.51 H new ATOM 0 HA ALA A 46 -21.111 -8.167 -0.478 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -20.703 -10.244 0.825 1.00 0.63 H new ATOM 0 HB2 ALA A 46 -21.994 -10.467 -0.380 1.00 0.63 H new ATOM 0 HB3 ALA A 46 -20.366 -11.115 -0.690 1.00 0.63 H new ATOM 650 N GLU A 47 -18.192 -9.303 -1.435 1.00 0.49 N ATOM 651 CA GLU A 47 -16.760 -9.099 -1.269 1.00 0.51 C ATOM 652 C GLU A 47 -16.401 -7.681 -1.684 1.00 0.49 C ATOM 653 O GLU A 47 -15.599 -7.011 -1.032 1.00 0.51 O ATOM 654 CB GLU A 47 -15.952 -10.126 -2.073 1.00 0.56 C ATOM 655 CG GLU A 47 -16.214 -11.565 -1.654 1.00 0.73 C ATOM 656 CD GLU A 47 -15.591 -12.575 -2.593 1.00 0.95 C ATOM 657 OE1 GLU A 47 -16.129 -12.757 -3.704 1.00 1.57 O ATOM 658 OE2 GLU A 47 -14.580 -13.205 -2.221 1.00 1.28 O ATOM 0 H GLU A 47 -18.447 -9.942 -2.187 1.00 0.49 H new ATOM 0 HA GLU A 47 -16.505 -9.241 -0.219 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -16.189 -10.015 -3.131 1.00 0.56 H new ATOM 0 HB3 GLU A 47 -14.890 -9.910 -1.960 1.00 0.56 H new ATOM 0 HG2 GLU A 47 -15.823 -11.722 -0.649 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -17.290 -11.735 -1.608 1.00 0.73 H new ATOM 665 N LEU A 48 -17.036 -7.210 -2.752 1.00 0.47 N ATOM 666 CA LEU A 48 -16.796 -5.861 -3.246 1.00 0.50 C ATOM 667 C LEU A 48 -17.293 -4.823 -2.249 1.00 0.48 C ATOM 668 O LEU A 48 -16.788 -3.706 -2.209 1.00 0.53 O ATOM 669 CB LEU A 48 -17.484 -5.640 -4.591 1.00 0.53 C ATOM 670 CG LEU A 48 -16.840 -6.340 -5.786 1.00 0.57 C ATOM 671 CD1 LEU A 48 -17.752 -6.250 -6.997 1.00 0.64 C ATOM 672 CD2 LEU A 48 -15.482 -5.729 -6.093 1.00 0.62 C ATOM 0 H LEU A 48 -17.719 -7.742 -3.291 1.00 0.47 H new ATOM 0 HA LEU A 48 -15.720 -5.747 -3.375 1.00 0.50 H new ATOM 0 HB2 LEU A 48 -18.518 -5.977 -4.510 1.00 0.53 H new ATOM 0 HB3 LEU A 48 -17.513 -4.569 -4.792 1.00 0.53 H new ATOM 0 HG LEU A 48 -16.693 -7.391 -5.538 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -17.283 -6.752 -7.843 1.00 0.64 H new ATOM 0 HD12 LEU A 48 -18.704 -6.730 -6.772 1.00 0.64 H new ATOM 0 HD13 LEU A 48 -17.924 -5.203 -7.246 1.00 0.64 H new ATOM 0 HD21 LEU A 48 -15.038 -6.240 -6.947 1.00 0.62 H new ATOM 0 HD22 LEU A 48 -15.603 -4.671 -6.326 1.00 0.62 H new ATOM 0 HD23 LEU A 48 -14.830 -5.837 -5.226 1.00 0.62 H new ATOM 684 N GLN A 49 -18.261 -5.200 -1.430 1.00 0.48 N ATOM 685 CA GLN A 49 -18.799 -4.282 -0.444 1.00 0.50 C ATOM 686 C GLN A 49 -17.939 -4.329 0.810 1.00 0.49 C ATOM 687 O GLN A 49 -17.696 -3.307 1.451 1.00 0.49 O ATOM 688 CB GLN A 49 -20.250 -4.620 -0.118 1.00 0.57 C ATOM 689 CG GLN A 49 -21.120 -3.389 0.078 1.00 0.73 C ATOM 690 CD GLN A 49 -21.365 -2.636 -1.217 1.00 0.98 C ATOM 691 OE1 GLN A 49 -20.596 -1.751 -1.594 1.00 1.18 O ATOM 692 NE2 GLN A 49 -22.442 -2.978 -1.907 1.00 1.26 N ATOM 0 H GLN A 49 -18.686 -6.127 -1.429 1.00 0.48 H new ATOM 0 HA GLN A 49 -18.782 -3.272 -0.853 1.00 0.50 H new ATOM 0 HB2 GLN A 49 -20.665 -5.226 -0.923 1.00 0.57 H new ATOM 0 HB3 GLN A 49 -20.281 -5.227 0.787 1.00 0.57 H new ATOM 0 HG2 GLN A 49 -22.076 -3.689 0.506 1.00 0.73 H new ATOM 0 HG3 GLN A 49 -20.644 -2.723 0.797 1.00 0.73 H new ATOM 0 HE21 GLN A 49 -23.055 -3.716 -1.562 1.00 1.26 H new ATOM 0 HE22 GLN A 49 -22.658 -2.503 -2.783 1.00 1.26 H new ATOM 701 N ASP A 50 -17.478 -5.534 1.138 1.00 0.50 N ATOM 702 CA ASP A 50 -16.609 -5.743 2.294 1.00 0.53 C ATOM 703 C ASP A 50 -15.390 -4.841 2.173 1.00 0.50 C ATOM 704 O ASP A 50 -14.911 -4.282 3.159 1.00 0.53 O ATOM 705 CB ASP A 50 -16.164 -7.198 2.401 1.00 0.58 C ATOM 706 CG ASP A 50 -15.599 -7.526 3.771 1.00 0.81 C ATOM 707 OD1 ASP A 50 -16.260 -7.220 4.790 1.00 0.90 O ATOM 708 OD2 ASP A 50 -14.491 -8.097 3.835 1.00 1.38 O ATOM 0 H ASP A 50 -17.693 -6.384 0.617 1.00 0.50 H new ATOM 0 HA ASP A 50 -17.170 -5.498 3.196 1.00 0.53 H new ATOM 0 HB2 ASP A 50 -17.011 -7.851 2.194 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -15.410 -7.402 1.641 1.00 0.58 H new ATOM 713 N MET A 51 -14.905 -4.695 0.944 1.00 0.47 N ATOM 714 CA MET A 51 -13.762 -3.839 0.665 1.00 0.47 C ATOM 715 C MET A 51 -14.106 -2.390 1.009 1.00 0.44 C ATOM 716 O MET A 51 -13.330 -1.696 1.671 1.00 0.46 O ATOM 717 CB MET A 51 -13.353 -3.952 -0.810 1.00 0.49 C ATOM 718 CG MET A 51 -12.038 -4.689 -1.040 1.00 0.54 C ATOM 719 SD MET A 51 -10.642 -3.957 -0.159 1.00 0.88 S ATOM 720 CE MET A 51 -9.300 -4.959 -0.803 1.00 1.38 C ATOM 0 H MET A 51 -15.290 -5.162 0.123 1.00 0.47 H new ATOM 0 HA MET A 51 -12.922 -4.162 1.280 1.00 0.47 H new ATOM 0 HB2 MET A 51 -14.144 -4.465 -1.356 1.00 0.49 H new ATOM 0 HB3 MET A 51 -13.273 -2.950 -1.231 1.00 0.49 H new ATOM 0 HG2 MET A 51 -12.152 -5.727 -0.727 1.00 0.54 H new ATOM 0 HG3 MET A 51 -11.819 -4.701 -2.108 1.00 0.54 H new ATOM 0 HE1 MET A 51 -8.359 -4.636 -0.358 1.00 1.38 H new ATOM 0 HE2 MET A 51 -9.477 -6.006 -0.557 1.00 1.38 H new ATOM 0 HE3 MET A 51 -9.248 -4.845 -1.886 1.00 1.38 H new ATOM 730 N ILE A 52 -15.277 -1.943 0.563 1.00 0.42 N ATOM 731 CA ILE A 52 -15.738 -0.586 0.836 1.00 0.43 C ATOM 732 C ILE A 52 -15.957 -0.399 2.334 1.00 0.46 C ATOM 733 O ILE A 52 -15.629 0.646 2.892 1.00 0.46 O ATOM 734 CB ILE A 52 -17.053 -0.264 0.092 1.00 0.43 C ATOM 735 CG1 ILE A 52 -16.952 -0.665 -1.387 1.00 0.43 C ATOM 736 CG2 ILE A 52 -17.390 1.217 0.229 1.00 0.48 C ATOM 737 CD1 ILE A 52 -16.027 0.209 -2.211 1.00 0.48 C ATOM 0 H ILE A 52 -15.925 -2.503 0.009 1.00 0.42 H new ATOM 0 HA ILE A 52 -14.966 0.096 0.480 1.00 0.43 H new ATOM 0 HB ILE A 52 -17.857 -0.844 0.545 1.00 0.43 H new ATOM 0 HG12 ILE A 52 -16.607 -1.697 -1.448 1.00 0.43 H new ATOM 0 HG13 ILE A 52 -17.948 -0.635 -1.828 1.00 0.43 H new ATOM 0 HG21 ILE A 52 -18.319 1.429 -0.300 1.00 0.48 H new ATOM 0 HG22 ILE A 52 -17.508 1.467 1.283 1.00 0.48 H new ATOM 0 HG23 ILE A 52 -16.585 1.814 -0.198 1.00 0.48 H new ATOM 0 HD11 ILE A 52 -16.015 -0.144 -3.242 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -16.381 1.240 -2.185 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -15.019 0.161 -1.799 1.00 0.48 H new ATOM 749 N ASN A 53 -16.489 -1.436 2.975 1.00 0.52 N ATOM 750 CA ASN A 53 -16.758 -1.419 4.415 1.00 0.59 C ATOM 751 C ASN A 53 -15.474 -1.155 5.199 1.00 0.61 C ATOM 752 O ASN A 53 -15.499 -0.566 6.280 1.00 0.66 O ATOM 753 CB ASN A 53 -17.378 -2.751 4.857 1.00 0.68 C ATOM 754 CG ASN A 53 -17.518 -2.873 6.369 1.00 1.02 C ATOM 755 OD1 ASN A 53 -18.521 -2.458 6.943 1.00 1.29 O ATOM 756 ND2 ASN A 53 -16.521 -3.456 7.021 1.00 1.40 N ATOM 0 H ASN A 53 -16.746 -2.310 2.516 1.00 0.52 H new ATOM 0 HA ASN A 53 -17.464 -0.614 4.622 1.00 0.59 H new ATOM 0 HB2 ASN A 53 -18.361 -2.858 4.397 1.00 0.68 H new ATOM 0 HB3 ASN A 53 -16.763 -3.571 4.488 1.00 0.68 H new ATOM 0 HD21 ASN A 53 -16.572 -3.572 8.033 1.00 1.40 H new ATOM 0 HD22 ASN A 53 -15.703 -3.789 6.510 1.00 1.40 H new ATOM 763 N GLU A 54 -14.356 -1.589 4.634 1.00 0.61 N ATOM 764 CA GLU A 54 -13.048 -1.411 5.254 1.00 0.66 C ATOM 765 C GLU A 54 -12.680 0.071 5.396 1.00 0.61 C ATOM 766 O GLU A 54 -11.940 0.448 6.299 1.00 0.71 O ATOM 767 CB GLU A 54 -11.986 -2.147 4.436 1.00 0.73 C ATOM 768 CG GLU A 54 -12.127 -3.664 4.459 1.00 1.31 C ATOM 769 CD GLU A 54 -12.248 -4.230 5.861 1.00 2.20 C ATOM 770 OE1 GLU A 54 -13.367 -4.209 6.422 1.00 2.84 O ATOM 771 OE2 GLU A 54 -11.229 -4.705 6.407 1.00 2.70 O ATOM 0 H GLU A 54 -14.328 -2.073 3.736 1.00 0.61 H new ATOM 0 HA GLU A 54 -13.091 -1.831 6.259 1.00 0.66 H new ATOM 0 HB2 GLU A 54 -12.035 -1.803 3.403 1.00 0.73 H new ATOM 0 HB3 GLU A 54 -11.000 -1.878 4.814 1.00 0.73 H new ATOM 0 HG2 GLU A 54 -13.006 -3.950 3.881 1.00 1.31 H new ATOM 0 HG3 GLU A 54 -11.263 -4.111 3.967 1.00 1.31 H new ATOM 778 N VAL A 55 -13.218 0.909 4.520 1.00 0.51 N ATOM 779 CA VAL A 55 -12.928 2.338 4.557 1.00 0.47 C ATOM 780 C VAL A 55 -14.208 3.143 4.769 1.00 0.44 C ATOM 781 O VAL A 55 -14.281 4.320 4.418 1.00 0.51 O ATOM 782 CB VAL A 55 -12.238 2.817 3.256 1.00 0.49 C ATOM 783 CG1 VAL A 55 -10.751 2.519 3.290 1.00 0.82 C ATOM 784 CG2 VAL A 55 -12.873 2.173 2.038 1.00 0.59 C ATOM 0 H VAL A 55 -13.856 0.626 3.776 1.00 0.51 H new ATOM 0 HA VAL A 55 -12.248 2.503 5.393 1.00 0.47 H new ATOM 0 HB VAL A 55 -12.373 3.896 3.187 1.00 0.49 H new ATOM 0 HG11 VAL A 55 -10.289 2.865 2.365 1.00 0.82 H new ATOM 0 HG12 VAL A 55 -10.296 3.033 4.137 1.00 0.82 H new ATOM 0 HG13 VAL A 55 -10.597 1.445 3.392 1.00 0.82 H new ATOM 0 HG21 VAL A 55 -12.371 2.525 1.137 1.00 0.59 H new ATOM 0 HG22 VAL A 55 -12.776 1.090 2.107 1.00 0.59 H new ATOM 0 HG23 VAL A 55 -13.929 2.441 1.994 1.00 0.59 H new ATOM 794 N ASP A 56 -15.204 2.495 5.352 1.00 0.48 N ATOM 795 CA ASP A 56 -16.485 3.134 5.611 1.00 0.47 C ATOM 796 C ASP A 56 -16.822 3.051 7.091 1.00 0.50 C ATOM 797 O ASP A 56 -17.044 1.966 7.634 1.00 0.55 O ATOM 798 CB ASP A 56 -17.590 2.478 4.785 1.00 0.48 C ATOM 799 CG ASP A 56 -18.843 3.325 4.723 1.00 0.47 C ATOM 800 OD1 ASP A 56 -18.913 4.229 3.860 1.00 0.48 O ATOM 801 OD2 ASP A 56 -19.773 3.086 5.517 1.00 0.53 O ATOM 0 H ASP A 56 -15.150 1.523 5.656 1.00 0.48 H new ATOM 0 HA ASP A 56 -16.412 4.182 5.322 1.00 0.47 H new ATOM 0 HB2 ASP A 56 -17.226 2.298 3.774 1.00 0.48 H new ATOM 0 HB3 ASP A 56 -17.833 1.506 5.214 1.00 0.48 H new ATOM 806 N ALA A 57 -16.857 4.199 7.742 1.00 0.55 N ATOM 807 CA ALA A 57 -17.154 4.258 9.161 1.00 0.60 C ATOM 808 C ALA A 57 -18.363 5.145 9.417 1.00 0.62 C ATOM 809 O ALA A 57 -18.845 5.240 10.542 1.00 0.67 O ATOM 810 CB ALA A 57 -15.945 4.750 9.942 1.00 0.68 C ATOM 0 H ALA A 57 -16.683 5.106 7.309 1.00 0.55 H new ATOM 0 HA ALA A 57 -17.392 3.252 9.505 1.00 0.60 H new ATOM 0 HB1 ALA A 57 -16.188 4.787 11.004 1.00 0.68 H new ATOM 0 HB2 ALA A 57 -15.109 4.069 9.785 1.00 0.68 H new ATOM 0 HB3 ALA A 57 -15.671 5.747 9.598 1.00 0.68 H new ATOM 816 N ASP A 58 -18.847 5.814 8.377 1.00 0.60 N ATOM 817 CA ASP A 58 -20.018 6.662 8.526 1.00 0.65 C ATOM 818 C ASP A 58 -21.276 5.801 8.466 1.00 0.66 C ATOM 819 O ASP A 58 -22.340 6.197 8.933 1.00 0.73 O ATOM 820 CB ASP A 58 -20.045 7.787 7.479 1.00 0.66 C ATOM 821 CG ASP A 58 -20.740 7.405 6.187 1.00 0.64 C ATOM 822 OD1 ASP A 58 -20.261 6.486 5.490 1.00 0.61 O ATOM 823 OD2 ASP A 58 -21.754 8.040 5.856 1.00 0.74 O ATOM 0 H ASP A 58 -18.453 5.786 7.437 1.00 0.60 H new ATOM 0 HA ASP A 58 -19.975 7.153 9.498 1.00 0.65 H new ATOM 0 HB2 ASP A 58 -20.545 8.656 7.906 1.00 0.66 H new ATOM 0 HB3 ASP A 58 -19.021 8.087 7.255 1.00 0.66 H new ATOM 828 N GLY A 59 -21.127 4.603 7.908 1.00 0.62 N ATOM 829 CA GLY A 59 -22.231 3.668 7.832 1.00 0.64 C ATOM 830 C GLY A 59 -23.071 3.800 6.580 1.00 0.67 C ATOM 831 O GLY A 59 -24.210 3.334 6.545 1.00 0.90 O ATOM 0 H GLY A 59 -20.254 4.263 7.505 1.00 0.62 H new ATOM 0 HA2 GLY A 59 -21.837 2.653 7.886 1.00 0.64 H new ATOM 0 HA3 GLY A 59 -22.872 3.808 8.702 1.00 0.64 H new ATOM 835 N ASN A 60 -22.527 4.423 5.547 1.00 0.57 N ATOM 836 CA ASN A 60 -23.269 4.600 4.304 1.00 0.58 C ATOM 837 C ASN A 60 -22.835 3.576 3.258 1.00 0.55 C ATOM 838 O ASN A 60 -23.563 3.303 2.305 1.00 0.60 O ATOM 839 CB ASN A 60 -23.105 6.041 3.787 1.00 0.59 C ATOM 840 CG ASN A 60 -22.192 6.171 2.578 1.00 0.55 C ATOM 841 OD1 ASN A 60 -20.965 6.246 2.707 1.00 0.52 O ATOM 842 ND2 ASN A 60 -22.786 6.221 1.396 1.00 0.58 N ATOM 0 H ASN A 60 -21.584 4.812 5.541 1.00 0.57 H new ATOM 0 HA ASN A 60 -24.327 4.431 4.502 1.00 0.58 H new ATOM 0 HB2 ASN A 60 -24.088 6.437 3.530 1.00 0.59 H new ATOM 0 HB3 ASN A 60 -22.712 6.661 4.593 1.00 0.59 H new ATOM 0 HD21 ASN A 60 -22.228 6.325 0.549 1.00 0.58 H new ATOM 0 HD22 ASN A 60 -23.802 6.156 1.333 1.00 0.58 H new ATOM 849 N GLY A 61 -21.666 2.983 3.458 1.00 0.51 N ATOM 850 CA GLY A 61 -21.164 1.999 2.519 1.00 0.51 C ATOM 851 C GLY A 61 -20.686 2.630 1.220 1.00 0.49 C ATOM 852 O GLY A 61 -21.091 2.211 0.135 1.00 0.52 O ATOM 0 H GLY A 61 -21.056 3.166 4.254 1.00 0.51 H new ATOM 0 HA2 GLY A 61 -20.342 1.450 2.977 1.00 0.51 H new ATOM 0 HA3 GLY A 61 -21.949 1.275 2.301 1.00 0.51 H new ATOM 856 N THR A 62 -19.825 3.639 1.331 1.00 0.46 N ATOM 857 CA THR A 62 -19.280 4.345 0.166 1.00 0.45 C ATOM 858 C THR A 62 -18.065 5.166 0.572 1.00 0.42 C ATOM 859 O THR A 62 -18.085 5.842 1.604 1.00 0.45 O ATOM 860 CB THR A 62 -20.315 5.303 -0.485 1.00 0.50 C ATOM 861 OG1 THR A 62 -21.471 4.579 -0.911 1.00 0.57 O ATOM 862 CG2 THR A 62 -19.720 6.043 -1.681 1.00 0.57 C ATOM 0 H THR A 62 -19.484 3.992 2.225 1.00 0.46 H new ATOM 0 HA THR A 62 -19.009 3.580 -0.561 1.00 0.45 H new ATOM 0 HB THR A 62 -20.598 6.034 0.273 1.00 0.50 H new ATOM 0 HG1 THR A 62 -21.277 3.618 -0.902 1.00 0.57 H new ATOM 0 HG21 THR A 62 -20.473 6.704 -2.111 1.00 0.57 H new ATOM 0 HG22 THR A 62 -18.863 6.632 -1.355 1.00 0.57 H new ATOM 0 HG23 THR A 62 -19.399 5.321 -2.432 1.00 0.57 H new ATOM 870 N ILE A 63 -17.008 5.096 -0.230 1.00 0.40 N ATOM 871 CA ILE A 63 -15.797 5.860 0.038 1.00 0.37 C ATOM 872 C ILE A 63 -16.067 7.326 -0.299 1.00 0.40 C ATOM 873 O ILE A 63 -16.080 7.710 -1.469 1.00 0.44 O ATOM 874 CB ILE A 63 -14.588 5.328 -0.787 1.00 0.36 C ATOM 875 CG1 ILE A 63 -14.396 3.825 -0.548 1.00 0.39 C ATOM 876 CG2 ILE A 63 -13.317 6.093 -0.449 1.00 0.43 C ATOM 877 CD1 ILE A 63 -13.100 3.268 -1.106 1.00 0.46 C ATOM 0 H ILE A 63 -16.966 4.519 -1.070 1.00 0.40 H new ATOM 0 HA ILE A 63 -15.536 5.755 1.091 1.00 0.37 H new ATOM 0 HB ILE A 63 -14.803 5.486 -1.844 1.00 0.36 H new ATOM 0 HG12 ILE A 63 -14.430 3.632 0.524 1.00 0.39 H new ATOM 0 HG13 ILE A 63 -15.232 3.287 -0.995 1.00 0.39 H new ATOM 0 HG21 ILE A 63 -12.489 5.701 -1.039 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -13.457 7.150 -0.677 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -13.094 5.977 0.612 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -13.042 2.200 -0.895 1.00 0.46 H new ATOM 0 HD12 ILE A 63 -13.070 3.427 -2.184 1.00 0.46 H new ATOM 0 HD13 ILE A 63 -12.255 3.776 -0.641 1.00 0.46 H new ATOM 889 N ASP A 64 -16.312 8.133 0.724 1.00 0.41 N ATOM 890 CA ASP A 64 -16.623 9.545 0.516 1.00 0.45 C ATOM 891 C ASP A 64 -15.452 10.434 0.919 1.00 0.45 C ATOM 892 O ASP A 64 -14.419 9.941 1.372 1.00 0.42 O ATOM 893 CB ASP A 64 -17.901 9.945 1.275 1.00 0.49 C ATOM 894 CG ASP A 64 -17.923 9.487 2.722 1.00 0.49 C ATOM 895 OD1 ASP A 64 -17.143 10.023 3.532 1.00 0.49 O ATOM 896 OD2 ASP A 64 -18.743 8.592 3.055 1.00 0.52 O ATOM 0 H ASP A 64 -16.302 7.839 1.701 1.00 0.41 H new ATOM 0 HA ASP A 64 -16.802 9.691 -0.549 1.00 0.45 H new ATOM 0 HB2 ASP A 64 -18.006 11.030 1.245 1.00 0.49 H new ATOM 0 HB3 ASP A 64 -18.765 9.527 0.758 1.00 0.49 H new ATOM 901 N PHE A 65 -15.619 11.748 0.758 1.00 0.51 N ATOM 902 CA PHE A 65 -14.557 12.699 1.081 1.00 0.54 C ATOM 903 C PHE A 65 -14.304 12.796 2.590 1.00 0.54 C ATOM 904 O PHE A 65 -13.146 12.773 3.013 1.00 0.54 O ATOM 905 CB PHE A 65 -14.851 14.085 0.495 1.00 0.61 C ATOM 906 CG PHE A 65 -13.609 14.873 0.193 1.00 0.74 C ATOM 907 CD1 PHE A 65 -12.671 14.385 -0.699 1.00 0.83 C ATOM 908 CD2 PHE A 65 -13.371 16.093 0.807 1.00 0.97 C ATOM 909 CE1 PHE A 65 -11.519 15.096 -0.977 1.00 1.04 C ATOM 910 CE2 PHE A 65 -12.218 16.811 0.535 1.00 1.15 C ATOM 911 CZ PHE A 65 -11.293 16.310 -0.359 1.00 1.15 C ATOM 0 H PHE A 65 -16.476 12.175 0.407 1.00 0.51 H new ATOM 0 HA PHE A 65 -13.646 12.316 0.620 1.00 0.54 H new ATOM 0 HB2 PHE A 65 -15.432 13.970 -0.420 1.00 0.61 H new ATOM 0 HB3 PHE A 65 -15.468 14.646 1.197 1.00 0.61 H new ATOM 0 HD1 PHE A 65 -12.841 13.436 -1.185 1.00 0.83 H new ATOM 0 HD2 PHE A 65 -14.093 16.488 1.506 1.00 0.97 H new ATOM 0 HE1 PHE A 65 -10.796 14.703 -1.677 1.00 1.04 H new ATOM 0 HE2 PHE A 65 -12.043 17.760 1.021 1.00 1.15 H new ATOM 0 HZ PHE A 65 -10.393 16.867 -0.575 1.00 1.15 H new ATOM 921 N PRO A 66 -15.359 12.954 3.432 1.00 0.55 N ATOM 922 CA PRO A 66 -15.190 13.012 4.891 1.00 0.56 C ATOM 923 C PRO A 66 -14.285 11.892 5.410 1.00 0.50 C ATOM 924 O PRO A 66 -13.318 12.152 6.130 1.00 0.52 O ATOM 925 CB PRO A 66 -16.614 12.835 5.418 1.00 0.59 C ATOM 926 CG PRO A 66 -17.502 13.347 4.341 1.00 0.63 C ATOM 927 CD PRO A 66 -16.773 13.140 3.041 1.00 0.58 C ATOM 0 HA PRO A 66 -14.715 13.938 5.213 1.00 0.56 H new ATOM 0 HB2 PRO A 66 -16.825 11.788 5.636 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -16.761 13.389 6.345 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -18.454 12.816 4.339 1.00 0.63 H new ATOM 0 HG3 PRO A 66 -17.727 14.403 4.494 1.00 0.63 H new ATOM 0 HD2 PRO A 66 -17.154 12.270 2.507 1.00 0.58 H new ATOM 0 HD3 PRO A 66 -16.892 13.998 2.379 1.00 0.58 H new ATOM 935 N GLU A 67 -14.600 10.661 5.026 1.00 0.46 N ATOM 936 CA GLU A 67 -13.805 9.501 5.440 1.00 0.43 C ATOM 937 C GLU A 67 -12.461 9.496 4.761 1.00 0.43 C ATOM 938 O GLU A 67 -11.469 9.078 5.339 1.00 0.44 O ATOM 939 CB GLU A 67 -14.517 8.194 5.113 1.00 0.41 C ATOM 940 CG GLU A 67 -15.762 7.945 5.935 1.00 0.43 C ATOM 941 CD GLU A 67 -16.681 6.940 5.281 1.00 0.43 C ATOM 942 OE1 GLU A 67 -16.681 6.842 4.038 1.00 0.39 O ATOM 943 OE2 GLU A 67 -17.431 6.249 5.996 1.00 0.51 O ATOM 0 H GLU A 67 -15.397 10.436 4.430 1.00 0.46 H new ATOM 0 HA GLU A 67 -13.672 9.580 6.519 1.00 0.43 H new ATOM 0 HB2 GLU A 67 -14.786 8.194 4.057 1.00 0.41 H new ATOM 0 HB3 GLU A 67 -13.823 7.367 5.265 1.00 0.41 H new ATOM 0 HG2 GLU A 67 -15.477 7.586 6.924 1.00 0.43 H new ATOM 0 HG3 GLU A 67 -16.296 8.885 6.078 1.00 0.43 H new ATOM 950 N PHE A 68 -12.419 10.032 3.538 1.00 0.44 N ATOM 951 CA PHE A 68 -11.198 10.055 2.761 1.00 0.46 C ATOM 952 C PHE A 68 -10.134 10.874 3.472 1.00 0.48 C ATOM 953 O PHE A 68 -8.956 10.519 3.475 1.00 0.48 O ATOM 954 CB PHE A 68 -11.454 10.620 1.352 1.00 0.50 C ATOM 955 CG PHE A 68 -10.266 10.521 0.432 1.00 0.73 C ATOM 956 CD1 PHE A 68 -10.034 9.371 -0.312 1.00 0.94 C ATOM 957 CD2 PHE A 68 -9.383 11.580 0.316 1.00 1.02 C ATOM 958 CE1 PHE A 68 -8.939 9.286 -1.153 1.00 1.29 C ATOM 959 CE2 PHE A 68 -8.288 11.501 -0.521 1.00 1.34 C ATOM 960 CZ PHE A 68 -8.064 10.353 -1.255 1.00 1.44 C ATOM 0 H PHE A 68 -13.223 10.454 3.073 1.00 0.44 H new ATOM 0 HA PHE A 68 -10.842 9.030 2.658 1.00 0.46 H new ATOM 0 HB2 PHE A 68 -12.294 10.088 0.904 1.00 0.50 H new ATOM 0 HB3 PHE A 68 -11.749 11.666 1.438 1.00 0.50 H new ATOM 0 HD1 PHE A 68 -10.714 8.536 -0.233 1.00 0.94 H new ATOM 0 HD2 PHE A 68 -9.553 12.480 0.888 1.00 1.02 H new ATOM 0 HE1 PHE A 68 -8.767 8.389 -1.729 1.00 1.29 H new ATOM 0 HE2 PHE A 68 -7.608 12.336 -0.602 1.00 1.34 H new ATOM 0 HZ PHE A 68 -7.206 10.288 -1.908 1.00 1.44 H new ATOM 970 N LEU A 69 -10.569 11.953 4.104 1.00 0.52 N ATOM 971 CA LEU A 69 -9.668 12.837 4.828 1.00 0.56 C ATOM 972 C LEU A 69 -9.029 12.115 6.010 1.00 0.51 C ATOM 973 O LEU A 69 -7.804 12.085 6.147 1.00 0.50 O ATOM 974 CB LEU A 69 -10.429 14.069 5.319 1.00 0.66 C ATOM 975 CG LEU A 69 -10.916 15.021 4.224 1.00 0.75 C ATOM 976 CD1 LEU A 69 -11.858 16.055 4.810 1.00 0.89 C ATOM 977 CD2 LEU A 69 -9.741 15.710 3.543 1.00 0.82 C ATOM 0 H LEU A 69 -11.548 12.239 4.130 1.00 0.52 H new ATOM 0 HA LEU A 69 -8.875 13.149 4.148 1.00 0.56 H new ATOM 0 HB2 LEU A 69 -11.291 13.736 5.897 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -9.785 14.625 6.000 1.00 0.66 H new ATOM 0 HG LEU A 69 -11.451 14.436 3.476 1.00 0.75 H new ATOM 0 HD11 LEU A 69 -12.198 16.726 4.021 1.00 0.89 H new ATOM 0 HD12 LEU A 69 -12.718 15.554 5.255 1.00 0.89 H new ATOM 0 HD13 LEU A 69 -11.337 16.629 5.576 1.00 0.89 H new ATOM 0 HD21 LEU A 69 -10.112 16.381 2.769 1.00 0.82 H new ATOM 0 HD22 LEU A 69 -9.178 16.282 4.280 1.00 0.82 H new ATOM 0 HD23 LEU A 69 -9.091 14.960 3.092 1.00 0.82 H new ATOM 989 N THR A 70 -9.865 11.522 6.847 1.00 0.52 N ATOM 990 CA THR A 70 -9.394 10.806 8.017 1.00 0.54 C ATOM 991 C THR A 70 -8.678 9.517 7.624 1.00 0.47 C ATOM 992 O THR A 70 -7.661 9.146 8.220 1.00 0.53 O ATOM 993 CB THR A 70 -10.565 10.486 8.954 1.00 0.62 C ATOM 994 OG1 THR A 70 -11.597 11.468 8.772 1.00 0.63 O ATOM 995 CG2 THR A 70 -10.099 10.484 10.398 1.00 0.74 C ATOM 0 H THR A 70 -10.879 11.524 6.735 1.00 0.52 H new ATOM 0 HA THR A 70 -8.683 11.448 8.537 1.00 0.54 H new ATOM 0 HB THR A 70 -10.956 9.497 8.717 1.00 0.62 H new ATOM 0 HG1 THR A 70 -12.349 11.267 9.368 1.00 0.63 H new ATOM 0 HG21 THR A 70 -10.941 10.255 11.052 1.00 0.74 H new ATOM 0 HG22 THR A 70 -9.323 9.730 10.529 1.00 0.74 H new ATOM 0 HG23 THR A 70 -9.698 11.465 10.652 1.00 0.74 H new ATOM 1003 N MET A 71 -9.201 8.854 6.599 1.00 0.42 N ATOM 1004 CA MET A 71 -8.630 7.606 6.106 1.00 0.43 C ATOM 1005 C MET A 71 -7.222 7.838 5.583 1.00 0.39 C ATOM 1006 O MET A 71 -6.310 7.057 5.849 1.00 0.41 O ATOM 1007 CB MET A 71 -9.510 7.012 4.994 1.00 0.51 C ATOM 1008 CG MET A 71 -8.918 5.780 4.331 1.00 0.71 C ATOM 1009 SD MET A 71 -9.270 5.692 2.557 1.00 0.69 S ATOM 1010 CE MET A 71 -8.228 6.998 1.900 1.00 0.68 C ATOM 0 H MET A 71 -10.028 9.164 6.089 1.00 0.42 H new ATOM 0 HA MET A 71 -8.587 6.899 6.935 1.00 0.43 H new ATOM 0 HB2 MET A 71 -10.483 6.755 5.413 1.00 0.51 H new ATOM 0 HB3 MET A 71 -9.682 7.774 4.234 1.00 0.51 H new ATOM 0 HG2 MET A 71 -7.839 5.776 4.482 1.00 0.71 H new ATOM 0 HG3 MET A 71 -9.311 4.888 4.818 1.00 0.71 H new ATOM 0 HE1 MET A 71 -7.907 6.735 0.892 1.00 0.68 H new ATOM 0 HE2 MET A 71 -8.790 7.931 1.869 1.00 0.68 H new ATOM 0 HE3 MET A 71 -7.354 7.122 2.539 1.00 0.68 H new ATOM 1020 N MET A 72 -7.045 8.931 4.861 1.00 0.38 N ATOM 1021 CA MET A 72 -5.753 9.266 4.298 1.00 0.40 C ATOM 1022 C MET A 72 -4.779 9.695 5.396 1.00 0.42 C ATOM 1023 O MET A 72 -3.626 9.280 5.401 1.00 0.45 O ATOM 1024 CB MET A 72 -5.912 10.367 3.250 1.00 0.43 C ATOM 1025 CG MET A 72 -4.934 10.264 2.089 1.00 0.58 C ATOM 1026 SD MET A 72 -3.223 10.539 2.575 1.00 1.18 S ATOM 1027 CE MET A 72 -3.349 12.148 3.343 1.00 1.69 C ATOM 0 H MET A 72 -7.784 9.602 4.652 1.00 0.38 H new ATOM 0 HA MET A 72 -5.340 8.381 3.814 1.00 0.40 H new ATOM 0 HB2 MET A 72 -6.929 10.337 2.858 1.00 0.43 H new ATOM 0 HB3 MET A 72 -5.785 11.336 3.734 1.00 0.43 H new ATOM 0 HG2 MET A 72 -5.022 9.277 1.635 1.00 0.58 H new ATOM 0 HG3 MET A 72 -5.209 10.991 1.325 1.00 0.58 H new ATOM 0 HE1 MET A 72 -2.415 12.692 3.203 1.00 1.69 H new ATOM 0 HE2 MET A 72 -4.166 12.706 2.886 1.00 1.69 H new ATOM 0 HE3 MET A 72 -3.542 12.028 4.409 1.00 1.69 H new ATOM 1037 N ALA A 73 -5.251 10.510 6.338 1.00 0.45 N ATOM 1038 CA ALA A 73 -4.405 10.980 7.439 1.00 0.53 C ATOM 1039 C ALA A 73 -3.854 9.802 8.231 1.00 0.51 C ATOM 1040 O ALA A 73 -2.734 9.843 8.748 1.00 0.55 O ATOM 1041 CB ALA A 73 -5.184 11.914 8.354 1.00 0.63 C ATOM 0 H ALA A 73 -6.209 10.858 6.363 1.00 0.45 H new ATOM 0 HA ALA A 73 -3.568 11.533 7.013 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -4.538 12.252 9.165 1.00 0.63 H new ATOM 0 HB2 ALA A 73 -5.531 12.776 7.784 1.00 0.63 H new ATOM 0 HB3 ALA A 73 -6.041 11.385 8.770 1.00 0.63 H new ATOM 1047 N ARG A 74 -4.655 8.752 8.306 1.00 0.49 N ATOM 1048 CA ARG A 74 -4.287 7.539 9.011 1.00 0.53 C ATOM 1049 C ARG A 74 -3.343 6.670 8.180 1.00 0.53 C ATOM 1050 O ARG A 74 -2.971 5.584 8.610 1.00 0.81 O ATOM 1051 CB ARG A 74 -5.542 6.743 9.363 1.00 0.59 C ATOM 1052 CG ARG A 74 -5.953 6.865 10.819 1.00 0.77 C ATOM 1053 CD ARG A 74 -6.120 5.497 11.458 1.00 1.02 C ATOM 1054 NE ARG A 74 -7.184 4.723 10.817 1.00 0.96 N ATOM 1055 CZ ARG A 74 -7.019 3.493 10.325 1.00 1.22 C ATOM 1056 NH1 ARG A 74 -5.844 2.884 10.409 1.00 1.45 N ATOM 1057 NH2 ARG A 74 -8.036 2.858 9.755 1.00 1.44 N ATOM 0 H ARG A 74 -5.580 8.718 7.878 1.00 0.49 H new ATOM 0 HA ARG A 74 -3.765 7.828 9.923 1.00 0.53 H new ATOM 0 HB2 ARG A 74 -6.365 7.081 8.733 1.00 0.59 H new ATOM 0 HB3 ARG A 74 -5.372 5.692 9.129 1.00 0.59 H new ATOM 0 HG2 ARG A 74 -5.202 7.435 11.365 1.00 0.77 H new ATOM 0 HG3 ARG A 74 -6.889 7.420 10.890 1.00 0.77 H new ATOM 0 HD2 ARG A 74 -5.181 4.948 11.392 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -6.345 5.616 12.518 1.00 1.02 H new ATOM 0 HE ARG A 74 -8.108 5.149 10.742 1.00 0.96 H new ATOM 0 HH11 ARG A 74 -5.056 3.355 10.853 1.00 1.45 H new ATOM 0 HH12 ARG A 74 -5.728 1.944 10.030 1.00 1.45 H new ATOM 0 HH21 ARG A 74 -8.948 3.310 9.692 1.00 1.44 H new ATOM 0 HH22 ARG A 74 -7.905 1.918 9.380 1.00 1.44 H new ATOM 1071 N LYS A 75 -2.974 7.125 6.979 1.00 0.42 N ATOM 1072 CA LYS A 75 -2.057 6.355 6.132 1.00 0.47 C ATOM 1073 C LYS A 75 -0.881 7.208 5.654 1.00 0.56 C ATOM 1074 O LYS A 75 0.162 6.678 5.280 1.00 0.78 O ATOM 1075 CB LYS A 75 -2.776 5.709 4.930 1.00 0.52 C ATOM 1076 CG LYS A 75 -2.069 4.454 4.433 1.00 0.72 C ATOM 1077 CD LYS A 75 -1.969 3.382 5.513 1.00 0.79 C ATOM 1078 CE LYS A 75 -3.335 2.872 5.933 1.00 0.86 C ATOM 1079 NZ LYS A 75 -3.875 1.870 4.978 1.00 0.83 N ATOM 0 H LYS A 75 -3.289 8.007 6.576 1.00 0.42 H new ATOM 0 HA LYS A 75 -1.666 5.551 6.755 1.00 0.47 H new ATOM 0 HB2 LYS A 75 -3.798 5.458 5.214 1.00 0.52 H new ATOM 0 HB3 LYS A 75 -2.840 6.432 4.117 1.00 0.52 H new ATOM 0 HG2 LYS A 75 -2.607 4.053 3.574 1.00 0.72 H new ATOM 0 HG3 LYS A 75 -1.068 4.715 4.089 1.00 0.72 H new ATOM 0 HD2 LYS A 75 -1.369 2.550 5.144 1.00 0.79 H new ATOM 0 HD3 LYS A 75 -1.451 3.789 6.381 1.00 0.79 H new ATOM 0 HE2 LYS A 75 -3.266 2.426 6.925 1.00 0.86 H new ATOM 0 HE3 LYS A 75 -4.027 3.711 6.008 1.00 0.86 H new ATOM 0 HZ1 LYS A 75 -4.849 1.624 5.247 1.00 0.83 H new ATOM 0 HZ2 LYS A 75 -3.871 2.269 4.017 1.00 0.83 H new ATOM 0 HZ3 LYS A 75 -3.283 1.015 5.001 1.00 0.83 H new ATOM 1093 N MET A 76 -1.051 8.525 5.691 1.00 0.58 N ATOM 1094 CA MET A 76 -0.010 9.466 5.264 1.00 0.72 C ATOM 1095 C MET A 76 1.251 9.318 6.110 1.00 0.71 C ATOM 1096 O MET A 76 2.362 9.255 5.587 1.00 0.80 O ATOM 1097 CB MET A 76 -0.537 10.901 5.364 1.00 0.92 C ATOM 1098 CG MET A 76 0.540 11.978 5.329 1.00 1.20 C ATOM 1099 SD MET A 76 0.365 13.171 6.675 1.00 1.55 S ATOM 1100 CE MET A 76 -1.365 13.611 6.532 1.00 1.68 C ATOM 0 H MET A 76 -1.908 8.973 6.015 1.00 0.58 H new ATOM 0 HA MET A 76 0.248 9.241 4.229 1.00 0.72 H new ATOM 0 HB2 MET A 76 -1.233 11.076 4.544 1.00 0.92 H new ATOM 0 HB3 MET A 76 -1.103 11.002 6.290 1.00 0.92 H new ATOM 0 HG2 MET A 76 1.522 11.508 5.389 1.00 1.20 H new ATOM 0 HG3 MET A 76 0.495 12.502 4.374 1.00 1.20 H new ATOM 0 HE1 MET A 76 -1.477 14.689 6.647 1.00 1.68 H new ATOM 0 HE2 MET A 76 -1.737 13.310 5.553 1.00 1.68 H new ATOM 0 HE3 MET A 76 -1.935 13.102 7.309 1.00 1.68 H new ATOM 1110 N LYS A 77 1.070 9.275 7.420 1.00 0.72 N ATOM 1111 CA LYS A 77 2.185 9.127 8.344 1.00 0.86 C ATOM 1112 C LYS A 77 1.913 7.963 9.283 1.00 0.77 C ATOM 1113 O LYS A 77 2.363 7.955 10.431 1.00 0.85 O ATOM 1114 CB LYS A 77 2.402 10.410 9.162 1.00 1.11 C ATOM 1115 CG LYS A 77 2.985 11.575 8.370 1.00 1.32 C ATOM 1116 CD LYS A 77 3.349 12.744 9.280 1.00 1.47 C ATOM 1117 CE LYS A 77 2.107 13.399 9.867 1.00 1.65 C ATOM 1118 NZ LYS A 77 2.415 14.220 11.072 1.00 1.95 N ATOM 0 H LYS A 77 0.157 9.341 7.870 1.00 0.72 H new ATOM 0 HA LYS A 77 3.088 8.935 7.765 1.00 0.86 H new ATOM 0 HB2 LYS A 77 1.448 10.719 9.589 1.00 1.11 H new ATOM 0 HB3 LYS A 77 3.067 10.186 9.996 1.00 1.11 H new ATOM 0 HG2 LYS A 77 3.872 11.242 7.831 1.00 1.32 H new ATOM 0 HG3 LYS A 77 2.264 11.905 7.623 1.00 1.32 H new ATOM 0 HD2 LYS A 77 3.992 12.392 10.087 1.00 1.47 H new ATOM 0 HD3 LYS A 77 3.919 13.482 8.716 1.00 1.47 H new ATOM 0 HE2 LYS A 77 1.640 14.030 9.111 1.00 1.65 H new ATOM 0 HE3 LYS A 77 1.383 12.628 10.131 1.00 1.65 H new ATOM 0 HZ1 LYS A 77 1.538 14.645 11.436 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 2.837 13.615 11.806 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 3.085 14.973 10.817 1.00 1.95 H new ATOM 1132 N ASP A 78 1.185 6.976 8.782 1.00 0.83 N ATOM 1133 CA ASP A 78 0.828 5.812 9.578 1.00 0.83 C ATOM 1134 C ASP A 78 2.054 5.036 10.017 1.00 0.81 C ATOM 1135 O ASP A 78 2.923 4.693 9.206 1.00 1.06 O ATOM 1136 CB ASP A 78 -0.110 4.884 8.811 1.00 1.15 C ATOM 1137 CG ASP A 78 -0.253 3.532 9.483 1.00 1.18 C ATOM 1138 OD1 ASP A 78 -0.421 3.489 10.723 1.00 1.18 O ATOM 1139 OD2 ASP A 78 -0.174 2.509 8.777 1.00 1.41 O ATOM 0 H ASP A 78 0.830 6.958 7.826 1.00 0.83 H new ATOM 0 HA ASP A 78 0.315 6.185 10.465 1.00 0.83 H new ATOM 0 HB2 ASP A 78 -1.091 5.351 8.726 1.00 1.15 H new ATOM 0 HB3 ASP A 78 0.267 4.746 7.797 1.00 1.15 H new ATOM 1144 N THR A 79 2.130 4.813 11.314 1.00 0.72 N ATOM 1145 CA THR A 79 3.200 4.055 11.917 1.00 0.95 C ATOM 1146 C THR A 79 2.677 3.380 13.183 1.00 0.92 C ATOM 1147 O THR A 79 3.445 3.020 14.077 1.00 1.10 O ATOM 1148 CB THR A 79 4.419 4.952 12.237 1.00 1.28 C ATOM 1149 OG1 THR A 79 4.009 6.326 12.342 1.00 1.45 O ATOM 1150 CG2 THR A 79 5.480 4.826 11.151 1.00 1.43 C ATOM 0 H THR A 79 1.442 5.158 11.983 1.00 0.72 H new ATOM 0 HA THR A 79 3.538 3.297 11.210 1.00 0.95 H new ATOM 0 HB THR A 79 4.842 4.623 13.186 1.00 1.28 H new ATOM 0 HG1 THR A 79 4.788 6.885 12.546 1.00 1.45 H new ATOM 0 HG21 THR A 79 6.329 5.465 11.396 1.00 1.43 H new ATOM 0 HG22 THR A 79 5.813 3.790 11.086 1.00 1.43 H new ATOM 0 HG23 THR A 79 5.059 5.133 10.194 1.00 1.43 H new ATOM 1158 N ASP A 80 1.350 3.198 13.234 1.00 0.79 N ATOM 1159 CA ASP A 80 0.687 2.587 14.389 1.00 0.83 C ATOM 1160 C ASP A 80 -0.519 1.751 13.955 1.00 0.80 C ATOM 1161 O ASP A 80 -1.523 1.692 14.662 1.00 1.18 O ATOM 1162 CB ASP A 80 0.199 3.672 15.360 1.00 1.03 C ATOM 1163 CG ASP A 80 1.319 4.520 15.927 1.00 1.39 C ATOM 1164 OD1 ASP A 80 2.134 4.003 16.718 1.00 1.78 O ATOM 1165 OD2 ASP A 80 1.376 5.726 15.595 1.00 1.69 O ATOM 0 H ASP A 80 0.714 3.468 12.483 1.00 0.79 H new ATOM 0 HA ASP A 80 1.416 1.943 14.880 1.00 0.83 H new ATOM 0 HB2 ASP A 80 -0.511 4.319 14.844 1.00 1.03 H new ATOM 0 HB3 ASP A 80 -0.340 3.199 16.181 1.00 1.03 H new ATOM 1170 N SER A 81 -0.426 1.113 12.796 1.00 0.74 N ATOM 1171 CA SER A 81 -1.531 0.306 12.275 1.00 0.82 C ATOM 1172 C SER A 81 -1.496 -1.152 12.725 1.00 0.75 C ATOM 1173 O SER A 81 -0.540 -1.613 13.354 1.00 0.89 O ATOM 1174 CB SER A 81 -1.512 0.343 10.754 1.00 1.10 C ATOM 1175 OG SER A 81 -0.187 0.419 10.267 1.00 1.10 O ATOM 0 H SER A 81 0.399 1.136 12.197 1.00 0.74 H new ATOM 0 HA SER A 81 -2.444 0.745 12.678 1.00 0.82 H new ATOM 0 HB2 SER A 81 -1.998 -0.549 10.359 1.00 1.10 H new ATOM 0 HB3 SER A 81 -2.083 1.201 10.400 1.00 1.10 H new ATOM 0 HG SER A 81 -0.171 0.950 9.444 1.00 1.10 H new ATOM 1181 N GLU A 82 -2.572 -1.865 12.388 1.00 0.69 N ATOM 1182 CA GLU A 82 -2.708 -3.280 12.702 1.00 0.76 C ATOM 1183 C GLU A 82 -3.269 -4.027 11.484 1.00 0.64 C ATOM 1184 O GLU A 82 -2.695 -5.013 11.023 1.00 0.78 O ATOM 1185 CB GLU A 82 -3.631 -3.456 13.915 1.00 0.90 C ATOM 1186 CG GLU A 82 -3.572 -4.838 14.549 1.00 1.13 C ATOM 1187 CD GLU A 82 -2.171 -5.233 14.959 1.00 1.39 C ATOM 1188 OE1 GLU A 82 -1.693 -4.746 16.007 1.00 1.86 O ATOM 1189 OE2 GLU A 82 -1.547 -6.041 14.244 1.00 1.72 O ATOM 0 H GLU A 82 -3.371 -1.474 11.890 1.00 0.69 H new ATOM 0 HA GLU A 82 -1.730 -3.695 12.947 1.00 0.76 H new ATOM 0 HB2 GLU A 82 -3.369 -2.712 14.667 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -4.657 -3.253 13.609 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -4.222 -4.860 15.424 1.00 1.13 H new ATOM 0 HG3 GLU A 82 -3.961 -5.573 13.845 1.00 1.13 H new ATOM 1196 N GLU A 83 -4.375 -3.517 10.949 1.00 0.53 N ATOM 1197 CA GLU A 83 -5.038 -4.116 9.793 1.00 0.52 C ATOM 1198 C GLU A 83 -4.527 -3.521 8.479 1.00 0.45 C ATOM 1199 O GLU A 83 -4.500 -4.199 7.448 1.00 0.48 O ATOM 1200 CB GLU A 83 -6.559 -3.926 9.907 1.00 0.68 C ATOM 1201 CG GLU A 83 -7.024 -2.467 9.880 1.00 1.37 C ATOM 1202 CD GLU A 83 -6.751 -1.723 11.176 1.00 1.96 C ATOM 1203 OE1 GLU A 83 -5.609 -1.240 11.364 1.00 2.40 O ATOM 1204 OE2 GLU A 83 -7.673 -1.626 12.017 1.00 2.70 O ATOM 0 H GLU A 83 -4.836 -2.679 11.303 1.00 0.53 H new ATOM 0 HA GLU A 83 -4.805 -5.181 9.785 1.00 0.52 H new ATOM 0 HB2 GLU A 83 -7.041 -4.462 9.090 1.00 0.68 H new ATOM 0 HB3 GLU A 83 -6.901 -4.385 10.835 1.00 0.68 H new ATOM 0 HG2 GLU A 83 -6.525 -1.949 9.061 1.00 1.37 H new ATOM 0 HG3 GLU A 83 -8.093 -2.438 9.671 1.00 1.37 H new ATOM 1211 N GLU A 84 -4.114 -2.258 8.531 1.00 0.44 N ATOM 1212 CA GLU A 84 -3.605 -1.552 7.355 1.00 0.46 C ATOM 1213 C GLU A 84 -2.455 -2.309 6.694 1.00 0.41 C ATOM 1214 O GLU A 84 -2.326 -2.317 5.471 1.00 0.46 O ATOM 1215 CB GLU A 84 -3.125 -0.153 7.746 1.00 0.56 C ATOM 1216 CG GLU A 84 -4.107 0.641 8.601 1.00 0.70 C ATOM 1217 CD GLU A 84 -5.486 0.756 7.985 1.00 0.73 C ATOM 1218 OE1 GLU A 84 -5.585 0.814 6.746 1.00 1.27 O ATOM 1219 OE2 GLU A 84 -6.471 0.809 8.753 1.00 1.26 O ATOM 0 H GLU A 84 -4.122 -1.696 9.382 1.00 0.44 H new ATOM 0 HA GLU A 84 -4.425 -1.479 6.640 1.00 0.46 H new ATOM 0 HB2 GLU A 84 -2.184 -0.245 8.288 1.00 0.56 H new ATOM 0 HB3 GLU A 84 -2.916 0.412 6.838 1.00 0.56 H new ATOM 0 HG2 GLU A 84 -4.192 0.166 9.578 1.00 0.70 H new ATOM 0 HG3 GLU A 84 -3.707 1.641 8.766 1.00 0.70 H new ATOM 1226 N ILE A 85 -1.608 -2.919 7.513 1.00 0.38 N ATOM 1227 CA ILE A 85 -0.475 -3.683 7.010 1.00 0.42 C ATOM 1228 C ILE A 85 -0.938 -4.799 6.062 1.00 0.40 C ATOM 1229 O ILE A 85 -0.382 -4.986 4.972 1.00 0.41 O ATOM 1230 CB ILE A 85 0.341 -4.312 8.159 1.00 0.53 C ATOM 1231 CG1 ILE A 85 0.587 -3.289 9.269 1.00 1.17 C ATOM 1232 CG2 ILE A 85 1.663 -4.827 7.623 1.00 1.38 C ATOM 1233 CD1 ILE A 85 0.974 -3.910 10.595 1.00 1.50 C ATOM 0 H ILE A 85 -1.685 -2.899 8.530 1.00 0.38 H new ATOM 0 HA ILE A 85 0.158 -2.982 6.466 1.00 0.42 H new ATOM 0 HB ILE A 85 -0.227 -5.143 8.578 1.00 0.53 H new ATOM 0 HG12 ILE A 85 1.376 -2.607 8.953 1.00 1.17 H new ATOM 0 HG13 ILE A 85 -0.314 -2.692 9.407 1.00 1.17 H new ATOM 0 HG21 ILE A 85 2.237 -5.271 8.436 1.00 1.38 H new ATOM 0 HG22 ILE A 85 1.477 -5.580 6.857 1.00 1.38 H new ATOM 0 HG23 ILE A 85 2.227 -4.001 7.190 1.00 1.38 H new ATOM 0 HD11 ILE A 85 1.132 -3.123 11.333 1.00 1.50 H new ATOM 0 HD12 ILE A 85 0.176 -4.570 10.934 1.00 1.50 H new ATOM 0 HD13 ILE A 85 1.893 -4.484 10.474 1.00 1.50 H new ATOM 1245 N ARG A 86 -1.976 -5.516 6.472 1.00 0.41 N ATOM 1246 CA ARG A 86 -2.519 -6.599 5.666 1.00 0.44 C ATOM 1247 C ARG A 86 -3.115 -6.043 4.382 1.00 0.42 C ATOM 1248 O ARG A 86 -2.942 -6.624 3.310 1.00 0.44 O ATOM 1249 CB ARG A 86 -3.588 -7.375 6.439 1.00 0.50 C ATOM 1250 CG ARG A 86 -3.813 -8.785 5.914 1.00 0.89 C ATOM 1251 CD ARG A 86 -3.157 -9.824 6.811 1.00 1.26 C ATOM 1252 NE ARG A 86 -4.044 -10.241 7.895 1.00 1.63 N ATOM 1253 CZ ARG A 86 -3.670 -10.351 9.172 1.00 2.02 C ATOM 1254 NH1 ARG A 86 -2.423 -10.067 9.536 1.00 2.11 N ATOM 1255 NH2 ARG A 86 -4.552 -10.737 10.084 1.00 2.57 N ATOM 0 H ARG A 86 -2.458 -5.366 7.358 1.00 0.41 H new ATOM 0 HA ARG A 86 -1.706 -7.283 5.423 1.00 0.44 H new ATOM 0 HB2 ARG A 86 -3.299 -7.428 7.489 1.00 0.50 H new ATOM 0 HB3 ARG A 86 -4.528 -6.825 6.395 1.00 0.50 H new ATOM 0 HG2 ARG A 86 -4.883 -8.983 5.847 1.00 0.89 H new ATOM 0 HG3 ARG A 86 -3.410 -8.867 4.905 1.00 0.89 H new ATOM 0 HD2 ARG A 86 -2.876 -10.693 6.216 1.00 1.26 H new ATOM 0 HD3 ARG A 86 -2.238 -9.414 7.230 1.00 1.26 H new ATOM 0 HE ARG A 86 -5.012 -10.462 7.661 1.00 1.63 H new ATOM 0 HH11 ARG A 86 -1.745 -9.763 8.838 1.00 2.11 H new ATOM 0 HH12 ARG A 86 -2.145 -10.153 10.514 1.00 2.11 H new ATOM 0 HH21 ARG A 86 -5.511 -10.948 9.809 1.00 2.57 H new ATOM 0 HH22 ARG A 86 -4.271 -10.823 11.061 1.00 2.57 H new ATOM 1269 N GLU A 87 -3.833 -4.931 4.520 1.00 0.42 N ATOM 1270 CA GLU A 87 -4.470 -4.256 3.393 1.00 0.44 C ATOM 1271 C GLU A 87 -3.515 -4.110 2.193 1.00 0.43 C ATOM 1272 O GLU A 87 -3.727 -4.733 1.150 1.00 0.45 O ATOM 1273 CB GLU A 87 -4.979 -2.875 3.833 1.00 0.48 C ATOM 1274 CG GLU A 87 -5.113 -1.867 2.695 1.00 0.47 C ATOM 1275 CD GLU A 87 -4.686 -0.476 3.104 1.00 0.64 C ATOM 1276 OE1 GLU A 87 -3.473 -0.256 3.303 1.00 1.47 O ATOM 1277 OE2 GLU A 87 -5.552 0.407 3.220 1.00 0.92 O ATOM 0 H GLU A 87 -3.989 -4.472 5.418 1.00 0.42 H new ATOM 0 HA GLU A 87 -5.309 -4.871 3.069 1.00 0.44 H new ATOM 0 HB2 GLU A 87 -5.950 -2.994 4.314 1.00 0.48 H new ATOM 0 HB3 GLU A 87 -4.299 -2.471 4.583 1.00 0.48 H new ATOM 0 HG2 GLU A 87 -4.509 -2.196 1.849 1.00 0.47 H new ATOM 0 HG3 GLU A 87 -6.149 -1.841 2.356 1.00 0.47 H new ATOM 1284 N ALA A 88 -2.445 -3.335 2.373 1.00 0.41 N ATOM 1285 CA ALA A 88 -1.497 -3.087 1.296 1.00 0.40 C ATOM 1286 C ALA A 88 -0.738 -4.348 0.910 1.00 0.40 C ATOM 1287 O ALA A 88 -0.269 -4.475 -0.218 1.00 0.41 O ATOM 1288 CB ALA A 88 -0.530 -1.990 1.690 1.00 0.41 C ATOM 0 H ALA A 88 -2.217 -2.871 3.252 1.00 0.41 H new ATOM 0 HA ALA A 88 -2.066 -2.766 0.423 1.00 0.40 H new ATOM 0 HB1 ALA A 88 0.173 -1.815 0.876 1.00 0.41 H new ATOM 0 HB2 ALA A 88 -1.083 -1.074 1.895 1.00 0.41 H new ATOM 0 HB3 ALA A 88 0.017 -2.291 2.583 1.00 0.41 H new ATOM 1294 N PHE A 89 -0.632 -5.291 1.836 1.00 0.39 N ATOM 1295 CA PHE A 89 0.082 -6.521 1.556 1.00 0.41 C ATOM 1296 C PHE A 89 -0.705 -7.371 0.582 1.00 0.43 C ATOM 1297 O PHE A 89 -0.156 -7.907 -0.370 1.00 0.46 O ATOM 1298 CB PHE A 89 0.345 -7.309 2.841 1.00 0.42 C ATOM 1299 CG PHE A 89 1.659 -8.048 2.821 1.00 0.40 C ATOM 1300 CD1 PHE A 89 2.855 -7.370 3.002 1.00 0.52 C ATOM 1301 CD2 PHE A 89 1.696 -9.416 2.608 1.00 0.63 C ATOM 1302 CE1 PHE A 89 4.061 -8.045 2.972 1.00 0.64 C ATOM 1303 CE2 PHE A 89 2.902 -10.093 2.575 1.00 0.75 C ATOM 1304 CZ PHE A 89 4.082 -9.409 2.758 1.00 0.68 C ATOM 0 H PHE A 89 -1.027 -5.227 2.774 1.00 0.39 H new ATOM 0 HA PHE A 89 1.042 -6.260 1.111 1.00 0.41 H new ATOM 0 HB2 PHE A 89 0.332 -6.625 3.689 1.00 0.42 H new ATOM 0 HB3 PHE A 89 -0.464 -8.023 2.995 1.00 0.42 H new ATOM 0 HD1 PHE A 89 2.844 -6.303 3.168 1.00 0.52 H new ATOM 0 HD2 PHE A 89 0.774 -9.960 2.466 1.00 0.63 H new ATOM 0 HE1 PHE A 89 4.986 -7.506 3.116 1.00 0.64 H new ATOM 0 HE2 PHE A 89 2.917 -11.159 2.405 1.00 0.75 H new ATOM 0 HZ PHE A 89 5.023 -9.938 2.734 1.00 0.68 H new ATOM 1314 N ARG A 90 -2.015 -7.442 0.810 1.00 0.45 N ATOM 1315 CA ARG A 90 -2.911 -8.228 -0.031 1.00 0.49 C ATOM 1316 C ARG A 90 -3.158 -7.543 -1.373 1.00 0.47 C ATOM 1317 O ARG A 90 -3.614 -8.179 -2.321 1.00 0.54 O ATOM 1318 CB ARG A 90 -4.237 -8.480 0.695 1.00 0.57 C ATOM 1319 CG ARG A 90 -4.131 -9.497 1.823 1.00 1.06 C ATOM 1320 CD ARG A 90 -5.471 -9.711 2.501 1.00 1.28 C ATOM 1321 NE ARG A 90 -6.465 -10.244 1.573 1.00 1.54 N ATOM 1322 CZ ARG A 90 -7.733 -10.480 1.895 1.00 1.91 C ATOM 1323 NH1 ARG A 90 -8.165 -10.233 3.127 1.00 2.17 N ATOM 1324 NH2 ARG A 90 -8.566 -10.966 0.982 1.00 2.35 N ATOM 0 H ARG A 90 -2.481 -6.959 1.578 1.00 0.45 H new ATOM 0 HA ARG A 90 -2.431 -9.186 -0.230 1.00 0.49 H new ATOM 0 HB2 ARG A 90 -4.604 -7.537 1.100 1.00 0.57 H new ATOM 0 HB3 ARG A 90 -4.977 -8.826 -0.027 1.00 0.57 H new ATOM 0 HG2 ARG A 90 -3.766 -10.445 1.428 1.00 1.06 H new ATOM 0 HG3 ARG A 90 -3.401 -9.155 2.556 1.00 1.06 H new ATOM 0 HD2 ARG A 90 -5.350 -10.398 3.339 1.00 1.28 H new ATOM 0 HD3 ARG A 90 -5.826 -8.766 2.912 1.00 1.28 H new ATOM 0 HE ARG A 90 -6.168 -10.448 0.619 1.00 1.54 H new ATOM 0 HH11 ARG A 90 -7.523 -9.862 3.828 1.00 2.17 H new ATOM 0 HH12 ARG A 90 -9.138 -10.415 3.372 1.00 2.17 H new ATOM 0 HH21 ARG A 90 -8.232 -11.157 0.037 1.00 2.35 H new ATOM 0 HH22 ARG A 90 -9.540 -11.148 1.226 1.00 2.35 H new ATOM 1338 N VAL A 91 -2.888 -6.242 -1.446 1.00 0.43 N ATOM 1339 CA VAL A 91 -3.056 -5.510 -2.700 1.00 0.43 C ATOM 1340 C VAL A 91 -1.883 -5.815 -3.626 1.00 0.41 C ATOM 1341 O VAL A 91 -2.037 -5.889 -4.846 1.00 0.41 O ATOM 1342 CB VAL A 91 -3.181 -3.980 -2.482 1.00 0.44 C ATOM 1343 CG1 VAL A 91 -3.156 -3.219 -3.805 1.00 0.47 C ATOM 1344 CG2 VAL A 91 -4.463 -3.669 -1.734 1.00 0.46 C ATOM 0 H VAL A 91 -2.556 -5.678 -0.663 1.00 0.43 H new ATOM 0 HA VAL A 91 -3.989 -5.842 -3.155 1.00 0.43 H new ATOM 0 HB VAL A 91 -2.323 -3.655 -1.893 1.00 0.44 H new ATOM 0 HG11 VAL A 91 -3.246 -2.150 -3.612 1.00 0.47 H new ATOM 0 HG12 VAL A 91 -2.216 -3.417 -4.321 1.00 0.47 H new ATOM 0 HG13 VAL A 91 -3.988 -3.546 -4.429 1.00 0.47 H new ATOM 0 HG21 VAL A 91 -4.545 -2.592 -1.584 1.00 0.46 H new ATOM 0 HG22 VAL A 91 -5.317 -4.021 -2.313 1.00 0.46 H new ATOM 0 HG23 VAL A 91 -4.450 -4.170 -0.766 1.00 0.46 H new ATOM 1354 N PHE A 92 -0.714 -6.019 -3.027 1.00 0.42 N ATOM 1355 CA PHE A 92 0.492 -6.327 -3.790 1.00 0.42 C ATOM 1356 C PHE A 92 0.630 -7.828 -4.012 1.00 0.43 C ATOM 1357 O PHE A 92 0.988 -8.276 -5.101 1.00 0.47 O ATOM 1358 CB PHE A 92 1.745 -5.831 -3.065 1.00 0.43 C ATOM 1359 CG PHE A 92 1.801 -4.351 -2.844 1.00 0.36 C ATOM 1360 CD1 PHE A 92 1.303 -3.461 -3.780 1.00 0.42 C ATOM 1361 CD2 PHE A 92 2.369 -3.853 -1.687 1.00 0.39 C ATOM 1362 CE1 PHE A 92 1.372 -2.101 -3.559 1.00 0.42 C ATOM 1363 CE2 PHE A 92 2.440 -2.499 -1.459 1.00 0.43 C ATOM 1364 CZ PHE A 92 1.942 -1.620 -2.396 1.00 0.40 C ATOM 0 H PHE A 92 -0.576 -5.977 -2.017 1.00 0.42 H new ATOM 0 HA PHE A 92 0.398 -5.819 -4.750 1.00 0.42 H new ATOM 0 HB2 PHE A 92 1.810 -6.331 -2.098 1.00 0.43 H new ATOM 0 HB3 PHE A 92 2.622 -6.132 -3.638 1.00 0.43 H new ATOM 0 HD1 PHE A 92 0.857 -3.834 -4.690 1.00 0.42 H new ATOM 0 HD2 PHE A 92 2.763 -4.538 -0.951 1.00 0.39 H new ATOM 0 HE1 PHE A 92 0.981 -1.413 -4.294 1.00 0.42 H new ATOM 0 HE2 PHE A 92 2.885 -2.126 -0.548 1.00 0.43 H new ATOM 0 HZ PHE A 92 1.997 -0.556 -2.221 1.00 0.40 H new ATOM 1374 N ASP A 93 0.359 -8.594 -2.970 1.00 0.44 N ATOM 1375 CA ASP A 93 0.479 -10.043 -3.028 1.00 0.47 C ATOM 1376 C ASP A 93 -0.789 -10.653 -3.617 1.00 0.52 C ATOM 1377 O ASP A 93 -1.795 -10.803 -2.930 1.00 0.80 O ATOM 1378 CB ASP A 93 0.757 -10.590 -1.624 1.00 0.50 C ATOM 1379 CG ASP A 93 1.275 -12.010 -1.626 1.00 0.52 C ATOM 1380 OD1 ASP A 93 2.479 -12.212 -1.889 1.00 0.54 O ATOM 1381 OD2 ASP A 93 0.500 -12.932 -1.337 1.00 0.80 O ATOM 0 H ASP A 93 0.052 -8.235 -2.066 1.00 0.44 H new ATOM 0 HA ASP A 93 1.312 -10.315 -3.676 1.00 0.47 H new ATOM 0 HB2 ASP A 93 1.484 -9.946 -1.128 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -0.160 -10.546 -1.037 1.00 0.50 H new ATOM 1386 N LYS A 94 -0.727 -11.005 -4.895 1.00 0.48 N ATOM 1387 CA LYS A 94 -1.881 -11.558 -5.595 1.00 0.54 C ATOM 1388 C LYS A 94 -1.982 -13.068 -5.427 1.00 0.56 C ATOM 1389 O LYS A 94 -3.084 -13.622 -5.450 1.00 0.65 O ATOM 1390 CB LYS A 94 -1.827 -11.213 -7.096 1.00 0.60 C ATOM 1391 CG LYS A 94 -3.069 -11.653 -7.874 1.00 0.86 C ATOM 1392 CD LYS A 94 -2.829 -12.942 -8.655 1.00 1.06 C ATOM 1393 CE LYS A 94 -4.111 -13.743 -8.841 1.00 1.31 C ATOM 1394 NZ LYS A 94 -4.393 -14.610 -7.661 1.00 1.70 N ATOM 0 H LYS A 94 0.111 -10.917 -5.469 1.00 0.48 H new ATOM 0 HA LYS A 94 -2.766 -11.105 -5.148 1.00 0.54 H new ATOM 0 HB2 LYS A 94 -1.702 -10.136 -7.208 1.00 0.60 H new ATOM 0 HB3 LYS A 94 -0.948 -11.683 -7.536 1.00 0.60 H new ATOM 0 HG2 LYS A 94 -3.898 -11.798 -7.181 1.00 0.86 H new ATOM 0 HG3 LYS A 94 -3.364 -10.862 -8.563 1.00 0.86 H new ATOM 0 HD2 LYS A 94 -2.407 -12.702 -9.631 1.00 1.06 H new ATOM 0 HD3 LYS A 94 -2.093 -13.552 -8.131 1.00 1.06 H new ATOM 0 HE2 LYS A 94 -4.947 -13.061 -9.000 1.00 1.31 H new ATOM 0 HE3 LYS A 94 -4.028 -14.361 -9.735 1.00 1.31 H new ATOM 0 HZ1 LYS A 94 -5.359 -14.429 -7.320 1.00 1.70 H new ATOM 0 HZ2 LYS A 94 -4.304 -15.609 -7.935 1.00 1.70 H new ATOM 0 HZ3 LYS A 94 -3.713 -14.397 -6.903 1.00 1.70 H new ATOM 1408 N ASP A 95 -0.851 -13.740 -5.251 1.00 0.55 N ATOM 1409 CA ASP A 95 -0.870 -15.194 -5.122 1.00 0.59 C ATOM 1410 C ASP A 95 -1.381 -15.613 -3.753 1.00 0.60 C ATOM 1411 O ASP A 95 -1.845 -16.741 -3.572 1.00 0.67 O ATOM 1412 CB ASP A 95 0.507 -15.821 -5.425 1.00 0.59 C ATOM 1413 CG ASP A 95 1.647 -15.235 -4.611 1.00 0.55 C ATOM 1414 OD1 ASP A 95 1.411 -14.711 -3.511 1.00 0.62 O ATOM 1415 OD2 ASP A 95 2.809 -15.277 -5.069 1.00 0.58 O ATOM 0 H ASP A 95 0.074 -13.314 -5.195 1.00 0.55 H new ATOM 0 HA ASP A 95 -1.563 -15.576 -5.872 1.00 0.59 H new ATOM 0 HB2 ASP A 95 0.455 -16.894 -5.238 1.00 0.59 H new ATOM 0 HB3 ASP A 95 0.728 -15.692 -6.485 1.00 0.59 H new ATOM 1420 N GLY A 96 -1.300 -14.704 -2.791 1.00 0.58 N ATOM 1421 CA GLY A 96 -1.788 -14.985 -1.457 1.00 0.61 C ATOM 1422 C GLY A 96 -0.804 -15.801 -0.658 1.00 0.61 C ATOM 1423 O GLY A 96 -1.146 -16.369 0.377 1.00 0.72 O ATOM 0 H GLY A 96 -0.903 -13.772 -2.913 1.00 0.58 H new ATOM 0 HA2 GLY A 96 -1.987 -14.047 -0.938 1.00 0.61 H new ATOM 0 HA3 GLY A 96 -2.735 -15.521 -1.522 1.00 0.61 H new ATOM 1427 N ASN A 97 0.426 -15.845 -1.131 1.00 0.61 N ATOM 1428 CA ASN A 97 1.465 -16.605 -0.467 1.00 0.62 C ATOM 1429 C ASN A 97 2.111 -15.775 0.643 1.00 0.60 C ATOM 1430 O ASN A 97 2.818 -16.310 1.494 1.00 0.66 O ATOM 1431 CB ASN A 97 2.497 -17.100 -1.491 1.00 0.62 C ATOM 1432 CG ASN A 97 3.759 -16.261 -1.550 1.00 0.55 C ATOM 1433 OD1 ASN A 97 3.725 -15.083 -1.911 1.00 0.58 O ATOM 1434 ND2 ASN A 97 4.885 -16.869 -1.216 1.00 0.72 N ATOM 0 H ASN A 97 0.730 -15.361 -1.976 1.00 0.61 H new ATOM 0 HA ASN A 97 1.021 -17.482 0.003 1.00 0.62 H new ATOM 0 HB2 ASN A 97 2.768 -18.128 -1.251 1.00 0.62 H new ATOM 0 HB3 ASN A 97 2.036 -17.114 -2.479 1.00 0.62 H new ATOM 0 HD21 ASN A 97 5.769 -16.361 -1.252 1.00 0.72 H new ATOM 0 HD22 ASN A 97 4.870 -17.846 -0.922 1.00 0.72 H new ATOM 1441 N GLY A 98 1.853 -14.469 0.638 1.00 0.55 N ATOM 1442 CA GLY A 98 2.396 -13.601 1.673 1.00 0.56 C ATOM 1443 C GLY A 98 3.834 -13.189 1.419 1.00 0.53 C ATOM 1444 O GLY A 98 4.626 -13.070 2.353 1.00 0.58 O ATOM 0 H GLY A 98 1.280 -13.997 -0.061 1.00 0.55 H new ATOM 0 HA2 GLY A 98 1.777 -12.707 1.749 1.00 0.56 H new ATOM 0 HA3 GLY A 98 2.336 -14.112 2.634 1.00 0.56 H new ATOM 1448 N TYR A 99 4.163 -12.956 0.157 1.00 0.53 N ATOM 1449 CA TYR A 99 5.509 -12.556 -0.243 1.00 0.50 C ATOM 1450 C TYR A 99 5.447 -11.680 -1.493 1.00 0.50 C ATOM 1451 O TYR A 99 5.130 -12.170 -2.581 1.00 0.54 O ATOM 1452 CB TYR A 99 6.368 -13.786 -0.544 1.00 0.52 C ATOM 1453 CG TYR A 99 7.040 -14.408 0.664 1.00 0.70 C ATOM 1454 CD1 TYR A 99 8.235 -13.894 1.154 1.00 0.91 C ATOM 1455 CD2 TYR A 99 6.495 -15.516 1.301 1.00 0.92 C ATOM 1456 CE1 TYR A 99 8.865 -14.462 2.244 1.00 1.17 C ATOM 1457 CE2 TYR A 99 7.124 -16.094 2.389 1.00 1.19 C ATOM 1458 CZ TYR A 99 8.307 -15.564 2.858 1.00 1.26 C ATOM 1459 OH TYR A 99 8.938 -16.150 3.934 1.00 1.57 O ATOM 0 H TYR A 99 3.507 -13.038 -0.620 1.00 0.53 H new ATOM 0 HA TYR A 99 5.954 -11.996 0.579 1.00 0.50 H new ATOM 0 HB2 TYR A 99 5.742 -14.540 -1.021 1.00 0.52 H new ATOM 0 HB3 TYR A 99 7.136 -13.507 -1.265 1.00 0.52 H new ATOM 0 HD1 TYR A 99 8.679 -13.035 0.674 1.00 0.91 H new ATOM 0 HD2 TYR A 99 5.566 -15.932 0.941 1.00 0.92 H new ATOM 0 HE1 TYR A 99 9.790 -14.045 2.614 1.00 1.17 H new ATOM 0 HE2 TYR A 99 6.690 -16.958 2.870 1.00 1.19 H new ATOM 0 HH TYR A 99 8.410 -16.914 4.247 1.00 1.57 H new ATOM 1469 N ILE A 100 5.740 -10.395 -1.343 1.00 0.49 N ATOM 1470 CA ILE A 100 5.703 -9.457 -2.468 1.00 0.52 C ATOM 1471 C ILE A 100 6.973 -9.560 -3.315 1.00 0.61 C ATOM 1472 O ILE A 100 8.070 -9.619 -2.781 1.00 0.64 O ATOM 1473 CB ILE A 100 5.562 -8.003 -1.971 1.00 0.55 C ATOM 1474 CG1 ILE A 100 4.390 -7.873 -1.002 1.00 0.58 C ATOM 1475 CG2 ILE A 100 5.387 -7.043 -3.140 1.00 0.60 C ATOM 1476 CD1 ILE A 100 4.376 -6.555 -0.260 1.00 0.69 C ATOM 0 H ILE A 100 6.007 -9.973 -0.453 1.00 0.49 H new ATOM 0 HA ILE A 100 4.838 -9.723 -3.075 1.00 0.52 H new ATOM 0 HB ILE A 100 6.479 -7.740 -1.444 1.00 0.55 H new ATOM 0 HG12 ILE A 100 3.456 -7.982 -1.554 1.00 0.58 H new ATOM 0 HG13 ILE A 100 4.431 -8.689 -0.280 1.00 0.58 H new ATOM 0 HG21 ILE A 100 5.290 -6.025 -2.763 1.00 0.60 H new ATOM 0 HG22 ILE A 100 6.255 -7.106 -3.796 1.00 0.60 H new ATOM 0 HG23 ILE A 100 4.490 -7.310 -3.699 1.00 0.60 H new ATOM 0 HD11 ILE A 100 3.519 -6.525 0.413 1.00 0.69 H new ATOM 0 HD12 ILE A 100 5.294 -6.453 0.318 1.00 0.69 H new ATOM 0 HD13 ILE A 100 4.305 -5.736 -0.975 1.00 0.69 H new ATOM 1488 N SER A 101 6.823 -9.579 -4.630 1.00 0.84 N ATOM 1489 CA SER A 101 7.970 -9.661 -5.528 1.00 1.02 C ATOM 1490 C SER A 101 7.708 -8.836 -6.790 1.00 0.95 C ATOM 1491 O SER A 101 6.613 -8.291 -6.950 1.00 0.85 O ATOM 1492 CB SER A 101 8.235 -11.122 -5.892 1.00 1.14 C ATOM 1493 OG SER A 101 7.095 -11.702 -6.502 1.00 1.12 O ATOM 0 H SER A 101 5.919 -9.539 -5.102 1.00 0.84 H new ATOM 0 HA SER A 101 8.849 -9.257 -5.026 1.00 1.02 H new ATOM 0 HB2 SER A 101 9.087 -11.184 -6.569 1.00 1.14 H new ATOM 0 HB3 SER A 101 8.499 -11.683 -4.995 1.00 1.14 H new ATOM 0 HG SER A 101 7.285 -12.636 -6.729 1.00 1.12 H new ATOM 1499 N ALA A 102 8.692 -8.773 -7.696 1.00 1.01 N ATOM 1500 CA ALA A 102 8.545 -8.021 -8.957 1.00 0.98 C ATOM 1501 C ALA A 102 7.612 -8.763 -9.912 1.00 0.86 C ATOM 1502 O ALA A 102 7.373 -8.354 -11.043 1.00 1.30 O ATOM 1503 CB ALA A 102 9.898 -7.779 -9.610 1.00 1.09 C ATOM 0 H ALA A 102 9.597 -9.231 -7.584 1.00 1.01 H new ATOM 0 HA ALA A 102 8.106 -7.050 -8.725 1.00 0.98 H new ATOM 0 HB1 ALA A 102 9.760 -7.223 -10.537 1.00 1.09 H new ATOM 0 HB2 ALA A 102 10.531 -7.205 -8.933 1.00 1.09 H new ATOM 0 HB3 ALA A 102 10.373 -8.735 -9.828 1.00 1.09 H new ATOM 1509 N ALA A 103 7.093 -9.846 -9.390 1.00 0.56 N ATOM 1510 CA ALA A 103 6.161 -10.682 -10.111 1.00 0.66 C ATOM 1511 C ALA A 103 4.785 -10.042 -10.034 1.00 0.52 C ATOM 1512 O ALA A 103 4.299 -9.445 -10.996 1.00 0.57 O ATOM 1513 CB ALA A 103 6.142 -12.092 -9.539 1.00 0.93 C ATOM 0 H ALA A 103 7.305 -10.176 -8.448 1.00 0.56 H new ATOM 0 HA ALA A 103 6.468 -10.764 -11.153 1.00 0.66 H new ATOM 0 HB1 ALA A 103 5.433 -12.702 -10.098 1.00 0.93 H new ATOM 0 HB2 ALA A 103 7.137 -12.530 -9.616 1.00 0.93 H new ATOM 0 HB3 ALA A 103 5.842 -12.056 -8.492 1.00 0.93 H new ATOM 1519 N GLU A 104 4.202 -10.112 -8.853 1.00 0.45 N ATOM 1520 CA GLU A 104 2.884 -9.555 -8.610 1.00 0.42 C ATOM 1521 C GLU A 104 2.901 -8.019 -8.577 1.00 0.43 C ATOM 1522 O GLU A 104 1.967 -7.383 -9.059 1.00 0.46 O ATOM 1523 CB GLU A 104 2.331 -10.109 -7.296 1.00 0.51 C ATOM 1524 CG GLU A 104 2.518 -11.612 -7.155 1.00 0.49 C ATOM 1525 CD GLU A 104 2.829 -12.039 -5.737 1.00 0.60 C ATOM 1526 OE1 GLU A 104 1.891 -12.219 -4.943 1.00 0.83 O ATOM 1527 OE2 GLU A 104 4.016 -12.227 -5.400 1.00 0.78 O ATOM 0 H GLU A 104 4.626 -10.554 -8.038 1.00 0.45 H new ATOM 0 HA GLU A 104 2.238 -9.849 -9.437 1.00 0.42 H new ATOM 0 HB2 GLU A 104 2.823 -9.608 -6.462 1.00 0.51 H new ATOM 0 HB3 GLU A 104 1.269 -9.873 -7.228 1.00 0.51 H new ATOM 0 HG2 GLU A 104 1.613 -12.118 -7.491 1.00 0.49 H new ATOM 0 HG3 GLU A 104 3.326 -11.935 -7.811 1.00 0.49 H new ATOM 1534 N LEU A 105 3.980 -7.426 -8.050 1.00 0.43 N ATOM 1535 CA LEU A 105 4.075 -5.963 -7.943 1.00 0.47 C ATOM 1536 C LEU A 105 4.029 -5.295 -9.311 1.00 0.48 C ATOM 1537 O LEU A 105 3.425 -4.234 -9.477 1.00 0.50 O ATOM 1538 CB LEU A 105 5.357 -5.544 -7.213 1.00 0.50 C ATOM 1539 CG LEU A 105 5.415 -4.070 -6.791 1.00 0.55 C ATOM 1540 CD1 LEU A 105 4.312 -3.747 -5.790 1.00 0.61 C ATOM 1541 CD2 LEU A 105 6.782 -3.744 -6.206 1.00 0.63 C ATOM 0 H LEU A 105 4.792 -7.930 -7.694 1.00 0.43 H new ATOM 0 HA LEU A 105 3.211 -5.633 -7.366 1.00 0.47 H new ATOM 0 HB2 LEU A 105 5.470 -6.165 -6.324 1.00 0.50 H new ATOM 0 HB3 LEU A 105 6.209 -5.755 -7.859 1.00 0.50 H new ATOM 0 HG LEU A 105 5.257 -3.453 -7.675 1.00 0.55 H new ATOM 0 HD11 LEU A 105 4.374 -2.696 -5.506 1.00 0.61 H new ATOM 0 HD12 LEU A 105 3.340 -3.943 -6.243 1.00 0.61 H new ATOM 0 HD13 LEU A 105 4.431 -4.370 -4.904 1.00 0.61 H new ATOM 0 HD21 LEU A 105 6.811 -2.695 -5.910 1.00 0.63 H new ATOM 0 HD22 LEU A 105 6.964 -4.372 -5.334 1.00 0.63 H new ATOM 0 HD23 LEU A 105 7.552 -3.931 -6.954 1.00 0.63 H new ATOM 1553 N ARG A 106 4.653 -5.929 -10.294 1.00 0.49 N ATOM 1554 CA ARG A 106 4.679 -5.393 -11.645 1.00 0.52 C ATOM 1555 C ARG A 106 3.264 -5.337 -12.217 1.00 0.53 C ATOM 1556 O ARG A 106 2.900 -4.393 -12.920 1.00 0.59 O ATOM 1557 CB ARG A 106 5.585 -6.250 -12.532 1.00 0.56 C ATOM 1558 CG ARG A 106 5.477 -5.935 -14.011 1.00 0.82 C ATOM 1559 CD ARG A 106 6.050 -7.061 -14.850 1.00 0.84 C ATOM 1560 NE ARG A 106 7.429 -7.373 -14.473 1.00 0.72 N ATOM 1561 CZ ARG A 106 7.862 -8.584 -14.119 1.00 0.86 C ATOM 1562 NH1 ARG A 106 7.019 -9.611 -14.016 1.00 1.18 N ATOM 1563 NH2 ARG A 106 9.149 -8.755 -13.860 1.00 0.90 N ATOM 0 H ARG A 106 5.147 -6.814 -10.180 1.00 0.49 H new ATOM 0 HA ARG A 106 5.079 -4.380 -11.617 1.00 0.52 H new ATOM 0 HB2 ARG A 106 6.619 -6.113 -12.217 1.00 0.56 H new ATOM 0 HB3 ARG A 106 5.340 -7.301 -12.376 1.00 0.56 H new ATOM 0 HG2 ARG A 106 4.432 -5.774 -14.277 1.00 0.82 H new ATOM 0 HG3 ARG A 106 6.008 -5.008 -14.229 1.00 0.82 H new ATOM 0 HD2 ARG A 106 5.432 -7.951 -14.735 1.00 0.84 H new ATOM 0 HD3 ARG A 106 6.015 -6.783 -15.903 1.00 0.84 H new ATOM 0 HE ARG A 106 8.107 -6.611 -14.481 1.00 0.72 H new ATOM 0 HH11 ARG A 106 6.026 -9.477 -14.209 1.00 1.18 H new ATOM 0 HH12 ARG A 106 7.366 -10.531 -13.744 1.00 1.18 H new ATOM 0 HH21 ARG A 106 9.793 -7.967 -13.932 1.00 0.90 H new ATOM 0 HH22 ARG A 106 9.497 -9.675 -13.588 1.00 0.90 H new ATOM 1577 N HIS A 107 2.466 -6.341 -11.877 1.00 0.52 N ATOM 1578 CA HIS A 107 1.090 -6.424 -12.345 1.00 0.54 C ATOM 1579 C HIS A 107 0.229 -5.335 -11.708 1.00 0.54 C ATOM 1580 O HIS A 107 -0.577 -4.694 -12.387 1.00 0.59 O ATOM 1581 CB HIS A 107 0.502 -7.808 -12.034 1.00 0.58 C ATOM 1582 CG HIS A 107 -0.818 -8.073 -12.701 1.00 0.62 C ATOM 1583 ND1 HIS A 107 -0.911 -8.274 -14.058 1.00 0.80 N ATOM 1584 CD2 HIS A 107 -2.061 -8.140 -12.161 1.00 0.60 C ATOM 1585 CE1 HIS A 107 -2.195 -8.456 -14.310 1.00 0.83 C ATOM 1586 NE2 HIS A 107 -2.931 -8.382 -13.193 1.00 0.70 N ATOM 0 H HIS A 107 2.751 -7.113 -11.275 1.00 0.52 H new ATOM 0 HA HIS A 107 1.092 -6.273 -13.425 1.00 0.54 H new ATOM 0 HB2 HIS A 107 1.214 -8.573 -12.344 1.00 0.58 H new ATOM 0 HB3 HIS A 107 0.379 -7.906 -10.955 1.00 0.58 H new ATOM 0 HD2 HIS A 107 -2.316 -8.025 -11.118 1.00 0.60 H new ATOM 0 HE1 HIS A 107 -2.601 -8.641 -15.294 1.00 0.83 H new ATOM 0 HE2 HIS A 107 -3.943 -8.486 -13.124 1.00 0.70 H new ATOM 1594 N VAL A 108 0.403 -5.104 -10.410 1.00 0.49 N ATOM 1595 CA VAL A 108 -0.386 -4.109 -9.692 1.00 0.49 C ATOM 1596 C VAL A 108 -0.010 -2.676 -10.078 1.00 0.49 C ATOM 1597 O VAL A 108 -0.887 -1.844 -10.312 1.00 0.52 O ATOM 1598 CB VAL A 108 -0.232 -4.289 -8.164 1.00 0.50 C ATOM 1599 CG1 VAL A 108 -1.214 -3.405 -7.404 1.00 0.53 C ATOM 1600 CG2 VAL A 108 -0.419 -5.754 -7.787 1.00 0.53 C ATOM 0 H VAL A 108 1.086 -5.594 -9.833 1.00 0.49 H new ATOM 0 HA VAL A 108 -1.425 -4.270 -9.978 1.00 0.49 H new ATOM 0 HB VAL A 108 0.775 -3.981 -7.882 1.00 0.50 H new ATOM 0 HG11 VAL A 108 -1.082 -3.553 -6.332 1.00 0.53 H new ATOM 0 HG12 VAL A 108 -1.029 -2.360 -7.651 1.00 0.53 H new ATOM 0 HG13 VAL A 108 -2.234 -3.669 -7.684 1.00 0.53 H new ATOM 0 HG21 VAL A 108 -0.308 -5.869 -6.709 1.00 0.53 H new ATOM 0 HG22 VAL A 108 -1.414 -6.083 -8.087 1.00 0.53 H new ATOM 0 HG23 VAL A 108 0.332 -6.359 -8.295 1.00 0.53 H new ATOM 1610 N MET A 109 1.286 -2.387 -10.162 1.00 0.47 N ATOM 1611 CA MET A 109 1.752 -1.044 -10.516 1.00 0.49 C ATOM 1612 C MET A 109 1.240 -0.627 -11.887 1.00 0.50 C ATOM 1613 O MET A 109 0.843 0.526 -12.093 1.00 0.52 O ATOM 1614 CB MET A 109 3.276 -0.976 -10.489 1.00 0.50 C ATOM 1615 CG MET A 109 3.811 -0.101 -9.374 1.00 0.62 C ATOM 1616 SD MET A 109 3.201 -0.605 -7.756 1.00 0.80 S ATOM 1617 CE MET A 109 3.714 0.782 -6.758 1.00 0.86 C ATOM 0 H MET A 109 2.032 -3.061 -9.991 1.00 0.47 H new ATOM 0 HA MET A 109 1.354 -0.352 -9.774 1.00 0.49 H new ATOM 0 HB2 MET A 109 3.677 -1.983 -10.377 1.00 0.50 H new ATOM 0 HB3 MET A 109 3.634 -0.595 -11.446 1.00 0.50 H new ATOM 0 HG2 MET A 109 4.900 -0.138 -9.377 1.00 0.62 H new ATOM 0 HG3 MET A 109 3.527 0.935 -9.560 1.00 0.62 H new ATOM 0 HE1 MET A 109 3.637 0.519 -5.703 1.00 0.86 H new ATOM 0 HE2 MET A 109 4.747 1.037 -6.994 1.00 0.86 H new ATOM 0 HE3 MET A 109 3.072 1.638 -6.967 1.00 0.86 H new ATOM 1627 N THR A 110 1.240 -1.569 -12.819 1.00 0.50 N ATOM 1628 CA THR A 110 0.758 -1.299 -14.161 1.00 0.54 C ATOM 1629 C THR A 110 -0.769 -1.159 -14.158 1.00 0.53 C ATOM 1630 O THR A 110 -1.346 -0.509 -15.028 1.00 0.54 O ATOM 1631 CB THR A 110 1.187 -2.412 -15.144 1.00 0.58 C ATOM 1632 OG1 THR A 110 2.580 -2.718 -14.965 1.00 0.59 O ATOM 1633 CG2 THR A 110 0.947 -1.986 -16.582 1.00 0.67 C ATOM 0 H THR A 110 1.568 -2.523 -12.669 1.00 0.50 H new ATOM 0 HA THR A 110 1.202 -0.362 -14.495 1.00 0.54 H new ATOM 0 HB THR A 110 0.587 -3.298 -14.935 1.00 0.58 H new ATOM 0 HG1 THR A 110 2.671 -3.491 -14.369 1.00 0.59 H new ATOM 0 HG21 THR A 110 1.257 -2.786 -17.255 1.00 0.67 H new ATOM 0 HG22 THR A 110 -0.113 -1.779 -16.728 1.00 0.67 H new ATOM 0 HG23 THR A 110 1.525 -1.087 -16.797 1.00 0.67 H new ATOM 1641 N ASN A 111 -1.412 -1.754 -13.156 1.00 0.53 N ATOM 1642 CA ASN A 111 -2.867 -1.695 -13.023 1.00 0.56 C ATOM 1643 C ASN A 111 -3.294 -0.351 -12.456 1.00 0.55 C ATOM 1644 O ASN A 111 -4.244 0.263 -12.937 1.00 0.58 O ATOM 1645 CB ASN A 111 -3.380 -2.822 -12.123 1.00 0.58 C ATOM 1646 CG ASN A 111 -4.038 -3.932 -12.913 1.00 0.65 C ATOM 1647 OD1 ASN A 111 -5.218 -3.861 -13.240 1.00 0.86 O ATOM 1648 ND2 ASN A 111 -3.277 -4.969 -13.226 1.00 0.88 N ATOM 0 H ASN A 111 -0.946 -2.285 -12.420 1.00 0.53 H new ATOM 0 HA ASN A 111 -3.300 -1.818 -14.016 1.00 0.56 H new ATOM 0 HB2 ASN A 111 -2.550 -3.231 -11.548 1.00 0.58 H new ATOM 0 HB3 ASN A 111 -4.094 -2.416 -11.407 1.00 0.58 H new ATOM 0 HD21 ASN A 111 -3.668 -5.747 -13.758 1.00 0.88 H new ATOM 0 HD22 ASN A 111 -2.300 -4.990 -12.935 1.00 0.88 H new ATOM 1655 N LEU A 112 -2.585 0.098 -11.423 1.00 0.54 N ATOM 1656 CA LEU A 112 -2.872 1.381 -10.788 1.00 0.57 C ATOM 1657 C LEU A 112 -2.644 2.520 -11.767 1.00 0.61 C ATOM 1658 O LEU A 112 -3.337 3.536 -11.727 1.00 0.68 O ATOM 1659 CB LEU A 112 -1.979 1.596 -9.561 1.00 0.59 C ATOM 1660 CG LEU A 112 -2.342 0.775 -8.324 1.00 0.58 C ATOM 1661 CD1 LEU A 112 -1.312 0.999 -7.228 1.00 0.93 C ATOM 1662 CD2 LEU A 112 -3.733 1.133 -7.823 1.00 0.63 C ATOM 0 H LEU A 112 -1.805 -0.410 -11.007 1.00 0.54 H new ATOM 0 HA LEU A 112 -3.916 1.368 -10.475 1.00 0.57 H new ATOM 0 HB2 LEU A 112 -0.950 1.365 -9.838 1.00 0.59 H new ATOM 0 HB3 LEU A 112 -2.008 2.652 -9.294 1.00 0.59 H new ATOM 0 HG LEU A 112 -2.343 -0.279 -8.600 1.00 0.58 H new ATOM 0 HD11 LEU A 112 -1.580 0.410 -6.351 1.00 0.93 H new ATOM 0 HD12 LEU A 112 -0.329 0.693 -7.585 1.00 0.93 H new ATOM 0 HD13 LEU A 112 -1.288 2.056 -6.962 1.00 0.93 H new ATOM 0 HD21 LEU A 112 -3.968 0.535 -6.942 1.00 0.63 H new ATOM 0 HD22 LEU A 112 -3.765 2.191 -7.562 1.00 0.63 H new ATOM 0 HD23 LEU A 112 -4.465 0.930 -8.605 1.00 0.63 H new ATOM 1674 N GLY A 113 -1.666 2.340 -12.644 1.00 0.67 N ATOM 1675 CA GLY A 113 -1.353 3.363 -13.619 1.00 0.75 C ATOM 1676 C GLY A 113 -0.315 4.328 -13.097 1.00 0.77 C ATOM 1677 O GLY A 113 -0.342 5.517 -13.408 1.00 0.89 O ATOM 0 H GLY A 113 -1.084 1.504 -12.697 1.00 0.67 H new ATOM 0 HA2 GLY A 113 -0.989 2.896 -14.534 1.00 0.75 H new ATOM 0 HA3 GLY A 113 -2.260 3.909 -13.879 1.00 0.75 H new ATOM 1681 N GLU A 114 0.616 3.802 -12.313 1.00 0.72 N ATOM 1682 CA GLU A 114 1.672 4.609 -11.723 1.00 0.79 C ATOM 1683 C GLU A 114 2.869 4.692 -12.657 1.00 0.79 C ATOM 1684 O GLU A 114 2.965 3.935 -13.625 1.00 0.83 O ATOM 1685 CB GLU A 114 2.088 4.015 -10.375 1.00 0.84 C ATOM 1686 CG GLU A 114 1.528 4.773 -9.184 1.00 0.95 C ATOM 1687 CD GLU A 114 2.303 6.043 -8.898 1.00 1.07 C ATOM 1688 OE1 GLU A 114 2.536 6.824 -9.843 1.00 1.55 O ATOM 1689 OE2 GLU A 114 2.695 6.257 -7.730 1.00 1.61 O ATOM 0 H GLU A 114 0.660 2.812 -12.070 1.00 0.72 H new ATOM 0 HA GLU A 114 1.294 5.619 -11.565 1.00 0.79 H new ATOM 0 HB2 GLU A 114 1.756 2.978 -10.325 1.00 0.84 H new ATOM 0 HB3 GLU A 114 3.176 4.005 -10.311 1.00 0.84 H new ATOM 0 HG2 GLU A 114 0.483 5.021 -9.372 1.00 0.95 H new ATOM 0 HG3 GLU A 114 1.549 4.130 -8.304 1.00 0.95 H new ATOM 1696 N LYS A 115 3.778 5.612 -12.373 1.00 0.77 N ATOM 1697 CA LYS A 115 4.973 5.780 -13.190 1.00 0.80 C ATOM 1698 C LYS A 115 6.086 4.887 -12.648 1.00 0.82 C ATOM 1699 O LYS A 115 6.979 5.351 -11.938 1.00 1.18 O ATOM 1700 CB LYS A 115 5.437 7.246 -13.215 1.00 0.84 C ATOM 1701 CG LYS A 115 4.366 8.245 -12.807 1.00 0.91 C ATOM 1702 CD LYS A 115 4.610 8.761 -11.400 1.00 1.07 C ATOM 1703 CE LYS A 115 3.543 9.754 -10.973 1.00 1.17 C ATOM 1704 NZ LYS A 115 2.186 9.145 -10.962 1.00 1.02 N ATOM 0 H LYS A 115 3.712 6.254 -11.583 1.00 0.77 H new ATOM 0 HA LYS A 115 4.733 5.492 -14.214 1.00 0.80 H new ATOM 0 HB2 LYS A 115 6.293 7.356 -12.549 1.00 0.84 H new ATOM 0 HB3 LYS A 115 5.781 7.489 -14.220 1.00 0.84 H new ATOM 0 HG2 LYS A 115 4.357 9.080 -13.508 1.00 0.91 H new ATOM 0 HG3 LYS A 115 3.385 7.773 -12.860 1.00 0.91 H new ATOM 0 HD2 LYS A 115 4.627 7.923 -10.703 1.00 1.07 H new ATOM 0 HD3 LYS A 115 5.590 9.236 -11.351 1.00 1.07 H new ATOM 0 HE2 LYS A 115 3.778 10.133 -9.978 1.00 1.17 H new ATOM 0 HE3 LYS A 115 3.551 10.608 -11.650 1.00 1.17 H new ATOM 0 HZ1 LYS A 115 1.624 9.562 -10.192 1.00 1.02 H new ATOM 0 HZ2 LYS A 115 1.716 9.328 -11.872 1.00 1.02 H new ATOM 0 HZ3 LYS A 115 2.267 8.119 -10.814 1.00 1.02 H new ATOM 1718 N LEU A 116 6.008 3.598 -12.966 1.00 0.64 N ATOM 1719 CA LEU A 116 6.993 2.624 -12.508 1.00 0.65 C ATOM 1720 C LEU A 116 7.113 1.488 -13.521 1.00 0.65 C ATOM 1721 O LEU A 116 6.142 0.778 -13.779 1.00 0.68 O ATOM 1722 CB LEU A 116 6.577 2.060 -11.139 1.00 0.70 C ATOM 1723 CG LEU A 116 7.704 1.841 -10.119 1.00 0.93 C ATOM 1724 CD1 LEU A 116 8.279 3.169 -9.655 1.00 1.27 C ATOM 1725 CD2 LEU A 116 7.197 1.049 -8.921 1.00 0.93 C ATOM 0 H LEU A 116 5.267 3.202 -13.544 1.00 0.64 H new ATOM 0 HA LEU A 116 7.960 3.118 -12.411 1.00 0.65 H new ATOM 0 HB2 LEU A 116 5.845 2.737 -10.699 1.00 0.70 H new ATOM 0 HB3 LEU A 116 6.073 1.107 -11.301 1.00 0.70 H new ATOM 0 HG LEU A 116 8.493 1.272 -10.610 1.00 0.93 H new ATOM 0 HD11 LEU A 116 9.075 2.988 -8.933 1.00 1.27 H new ATOM 0 HD12 LEU A 116 8.681 3.710 -10.511 1.00 1.27 H new ATOM 0 HD13 LEU A 116 7.493 3.762 -9.187 1.00 1.27 H new ATOM 0 HD21 LEU A 116 8.010 0.904 -8.210 1.00 0.93 H new ATOM 0 HD22 LEU A 116 6.387 1.597 -8.439 1.00 0.93 H new ATOM 0 HD23 LEU A 116 6.830 0.078 -9.255 1.00 0.93 H new ATOM 1737 N THR A 117 8.293 1.335 -14.107 1.00 0.70 N ATOM 1738 CA THR A 117 8.529 0.286 -15.087 1.00 0.73 C ATOM 1739 C THR A 117 9.042 -0.977 -14.396 1.00 0.71 C ATOM 1740 O THR A 117 9.144 -1.007 -13.171 1.00 0.69 O ATOM 1741 CB THR A 117 9.530 0.764 -16.150 1.00 0.81 C ATOM 1742 OG1 THR A 117 10.443 1.705 -15.566 1.00 0.93 O ATOM 1743 CG2 THR A 117 8.796 1.417 -17.311 1.00 1.04 C ATOM 0 H THR A 117 9.103 1.926 -13.919 1.00 0.70 H new ATOM 0 HA THR A 117 7.587 0.051 -15.582 1.00 0.73 H new ATOM 0 HB THR A 117 10.084 -0.097 -16.523 1.00 0.81 H new ATOM 0 HG1 THR A 117 11.081 2.007 -16.246 1.00 0.93 H new ATOM 0 HG21 THR A 117 9.518 1.751 -18.056 1.00 1.04 H new ATOM 0 HG22 THR A 117 8.115 0.696 -17.763 1.00 1.04 H new ATOM 0 HG23 THR A 117 8.228 2.273 -16.947 1.00 1.04 H new ATOM 1751 N ASP A 118 9.388 -2.009 -15.166 1.00 0.73 N ATOM 1752 CA ASP A 118 9.866 -3.269 -14.581 1.00 0.74 C ATOM 1753 C ASP A 118 11.136 -3.062 -13.764 1.00 0.73 C ATOM 1754 O ASP A 118 11.266 -3.589 -12.659 1.00 0.74 O ATOM 1755 CB ASP A 118 10.105 -4.324 -15.665 1.00 0.79 C ATOM 1756 CG ASP A 118 10.547 -5.655 -15.081 1.00 0.97 C ATOM 1757 OD1 ASP A 118 9.879 -6.156 -14.160 1.00 1.20 O ATOM 1758 OD2 ASP A 118 11.566 -6.207 -15.535 1.00 1.38 O ATOM 0 H ASP A 118 9.348 -2.002 -16.185 1.00 0.73 H new ATOM 0 HA ASP A 118 9.085 -3.627 -13.910 1.00 0.74 H new ATOM 0 HB2 ASP A 118 9.189 -4.467 -16.239 1.00 0.79 H new ATOM 0 HB3 ASP A 118 10.864 -3.964 -16.360 1.00 0.79 H new ATOM 1763 N GLU A 119 12.073 -2.287 -14.303 1.00 0.72 N ATOM 1764 CA GLU A 119 13.322 -2.011 -13.601 1.00 0.73 C ATOM 1765 C GLU A 119 13.054 -1.210 -12.326 1.00 0.70 C ATOM 1766 O GLU A 119 13.748 -1.363 -11.321 1.00 0.71 O ATOM 1767 CB GLU A 119 14.281 -1.229 -14.487 1.00 0.78 C ATOM 1768 CG GLU A 119 15.651 -1.866 -14.597 1.00 1.15 C ATOM 1769 CD GLU A 119 16.758 -0.843 -14.690 1.00 1.69 C ATOM 1770 OE1 GLU A 119 16.964 -0.088 -13.720 1.00 2.33 O ATOM 1771 OE2 GLU A 119 17.439 -0.797 -15.732 1.00 2.18 O ATOM 0 H GLU A 119 11.992 -1.842 -15.217 1.00 0.72 H new ATOM 0 HA GLU A 119 13.775 -2.968 -13.342 1.00 0.73 H new ATOM 0 HB2 GLU A 119 13.850 -1.137 -15.484 1.00 0.78 H new ATOM 0 HB3 GLU A 119 14.388 -0.219 -14.091 1.00 0.78 H new ATOM 0 HG2 GLU A 119 15.822 -2.504 -13.730 1.00 1.15 H new ATOM 0 HG3 GLU A 119 15.680 -2.509 -15.477 1.00 1.15 H new ATOM 1778 N GLU A 120 12.026 -0.380 -12.384 1.00 0.70 N ATOM 1779 CA GLU A 120 11.653 0.450 -11.242 1.00 0.69 C ATOM 1780 C GLU A 120 11.024 -0.417 -10.164 1.00 0.67 C ATOM 1781 O GLU A 120 11.303 -0.257 -8.976 1.00 0.68 O ATOM 1782 CB GLU A 120 10.684 1.550 -11.666 1.00 0.72 C ATOM 1783 CG GLU A 120 11.282 2.560 -12.624 1.00 0.85 C ATOM 1784 CD GLU A 120 12.492 3.253 -12.038 1.00 1.09 C ATOM 1785 OE1 GLU A 120 12.307 4.179 -11.220 1.00 1.33 O ATOM 1786 OE2 GLU A 120 13.629 2.869 -12.393 1.00 1.86 O ATOM 0 H GLU A 120 11.434 -0.260 -13.206 1.00 0.70 H new ATOM 0 HA GLU A 120 12.551 0.923 -10.845 1.00 0.69 H new ATOM 0 HB2 GLU A 120 9.812 1.092 -12.134 1.00 0.72 H new ATOM 0 HB3 GLU A 120 10.331 2.072 -10.777 1.00 0.72 H new ATOM 0 HG2 GLU A 120 11.565 2.058 -13.549 1.00 0.85 H new ATOM 0 HG3 GLU A 120 10.529 3.304 -12.883 1.00 0.85 H new ATOM 1793 N VAL A 121 10.184 -1.350 -10.601 1.00 0.66 N ATOM 1794 CA VAL A 121 9.508 -2.272 -9.701 1.00 0.66 C ATOM 1795 C VAL A 121 10.528 -3.082 -8.902 1.00 0.64 C ATOM 1796 O VAL A 121 10.371 -3.273 -7.698 1.00 0.63 O ATOM 1797 CB VAL A 121 8.569 -3.225 -10.482 1.00 0.70 C ATOM 1798 CG1 VAL A 121 8.167 -4.429 -9.639 1.00 0.71 C ATOM 1799 CG2 VAL A 121 7.332 -2.472 -10.963 1.00 0.76 C ATOM 0 H VAL A 121 9.955 -1.486 -11.586 1.00 0.66 H new ATOM 0 HA VAL A 121 8.903 -1.684 -9.011 1.00 0.66 H new ATOM 0 HB VAL A 121 9.116 -3.597 -11.349 1.00 0.70 H new ATOM 0 HG11 VAL A 121 7.508 -5.076 -10.219 1.00 0.71 H new ATOM 0 HG12 VAL A 121 9.059 -4.985 -9.350 1.00 0.71 H new ATOM 0 HG13 VAL A 121 7.646 -4.089 -8.744 1.00 0.71 H new ATOM 0 HG21 VAL A 121 6.681 -3.154 -11.510 1.00 0.76 H new ATOM 0 HG22 VAL A 121 6.795 -2.068 -10.105 1.00 0.76 H new ATOM 0 HG23 VAL A 121 7.635 -1.655 -11.618 1.00 0.76 H new ATOM 1809 N ASP A 122 11.587 -3.529 -9.572 1.00 0.65 N ATOM 1810 CA ASP A 122 12.638 -4.297 -8.907 1.00 0.66 C ATOM 1811 C ASP A 122 13.431 -3.398 -7.965 1.00 0.65 C ATOM 1812 O ASP A 122 13.751 -3.787 -6.840 1.00 0.66 O ATOM 1813 CB ASP A 122 13.580 -4.949 -9.922 1.00 0.71 C ATOM 1814 CG ASP A 122 14.688 -5.735 -9.247 1.00 0.81 C ATOM 1815 OD1 ASP A 122 14.419 -6.854 -8.779 1.00 0.89 O ATOM 1816 OD2 ASP A 122 15.827 -5.230 -9.175 1.00 0.96 O ATOM 0 H ASP A 122 11.741 -3.374 -10.568 1.00 0.65 H new ATOM 0 HA ASP A 122 12.159 -5.089 -8.332 1.00 0.66 H new ATOM 0 HB2 ASP A 122 13.009 -5.612 -10.572 1.00 0.71 H new ATOM 0 HB3 ASP A 122 14.017 -4.179 -10.557 1.00 0.71 H new ATOM 1821 N GLU A 123 13.734 -2.183 -8.429 1.00 0.66 N ATOM 1822 CA GLU A 123 14.484 -1.223 -7.625 1.00 0.68 C ATOM 1823 C GLU A 123 13.746 -0.939 -6.323 1.00 0.66 C ATOM 1824 O GLU A 123 14.335 -0.946 -5.241 1.00 0.66 O ATOM 1825 CB GLU A 123 14.698 0.083 -8.388 1.00 0.75 C ATOM 1826 CG GLU A 123 15.947 0.823 -7.943 1.00 0.86 C ATOM 1827 CD GLU A 123 17.199 0.018 -8.213 1.00 0.91 C ATOM 1828 OE1 GLU A 123 17.266 -0.647 -9.267 1.00 1.13 O ATOM 1829 OE2 GLU A 123 18.118 0.025 -7.370 1.00 1.20 O ATOM 0 H GLU A 123 13.471 -1.844 -9.355 1.00 0.66 H new ATOM 0 HA GLU A 123 15.458 -1.659 -7.403 1.00 0.68 H new ATOM 0 HB2 GLU A 123 14.768 -0.131 -9.454 1.00 0.75 H new ATOM 0 HB3 GLU A 123 13.830 0.727 -8.249 1.00 0.75 H new ATOM 0 HG2 GLU A 123 16.009 1.779 -8.464 1.00 0.86 H new ATOM 0 HG3 GLU A 123 15.879 1.044 -6.878 1.00 0.86 H new ATOM 1836 N MET A 124 12.450 -0.705 -6.448 1.00 0.67 N ATOM 1837 CA MET A 124 11.596 -0.433 -5.303 1.00 0.69 C ATOM 1838 C MET A 124 11.403 -1.698 -4.470 1.00 0.69 C ATOM 1839 O MET A 124 11.318 -1.642 -3.259 1.00 0.76 O ATOM 1840 CB MET A 124 10.245 0.110 -5.777 1.00 0.72 C ATOM 1841 CG MET A 124 9.173 0.122 -4.701 1.00 0.64 C ATOM 1842 SD MET A 124 7.635 0.889 -5.254 1.00 0.61 S ATOM 1843 CE MET A 124 6.634 0.698 -3.782 1.00 0.68 C ATOM 0 H MET A 124 11.961 -0.698 -7.343 1.00 0.67 H new ATOM 0 HA MET A 124 12.075 0.319 -4.676 1.00 0.69 H new ATOM 0 HB2 MET A 124 10.383 1.125 -6.149 1.00 0.72 H new ATOM 0 HB3 MET A 124 9.897 -0.493 -6.616 1.00 0.72 H new ATOM 0 HG2 MET A 124 8.970 -0.901 -4.385 1.00 0.64 H new ATOM 0 HG3 MET A 124 9.547 0.657 -3.828 1.00 0.64 H new ATOM 0 HE1 MET A 124 5.684 1.215 -3.918 1.00 0.68 H new ATOM 0 HE2 MET A 124 6.448 -0.361 -3.603 1.00 0.68 H new ATOM 0 HE3 MET A 124 7.160 1.123 -2.927 1.00 0.68 H new ATOM 1853 N ILE A 125 11.345 -2.847 -5.127 1.00 0.65 N ATOM 1854 CA ILE A 125 11.171 -4.118 -4.427 1.00 0.68 C ATOM 1855 C ILE A 125 12.265 -4.323 -3.371 1.00 0.66 C ATOM 1856 O ILE A 125 12.028 -4.916 -2.321 1.00 0.64 O ATOM 1857 CB ILE A 125 11.144 -5.310 -5.427 1.00 0.71 C ATOM 1858 CG1 ILE A 125 9.750 -5.954 -5.452 1.00 0.71 C ATOM 1859 CG2 ILE A 125 12.215 -6.353 -5.109 1.00 0.90 C ATOM 1860 CD1 ILE A 125 9.278 -6.478 -4.110 1.00 0.92 C ATOM 0 H ILE A 125 11.415 -2.929 -6.141 1.00 0.65 H new ATOM 0 HA ILE A 125 10.209 -4.083 -3.915 1.00 0.68 H new ATOM 0 HB ILE A 125 11.369 -4.912 -6.416 1.00 0.71 H new ATOM 0 HG12 ILE A 125 9.031 -5.220 -5.815 1.00 0.71 H new ATOM 0 HG13 ILE A 125 9.756 -6.776 -6.168 1.00 0.71 H new ATOM 0 HG21 ILE A 125 12.158 -7.166 -5.833 1.00 0.90 H new ATOM 0 HG22 ILE A 125 13.200 -5.890 -5.160 1.00 0.90 H new ATOM 0 HG23 ILE A 125 12.052 -6.748 -4.106 1.00 0.90 H new ATOM 0 HD11 ILE A 125 8.286 -6.916 -4.219 1.00 0.92 H new ATOM 0 HD12 ILE A 125 9.972 -7.238 -3.751 1.00 0.92 H new ATOM 0 HD13 ILE A 125 9.236 -5.658 -3.393 1.00 0.92 H new ATOM 1872 N ARG A 126 13.451 -3.791 -3.641 1.00 0.73 N ATOM 1873 CA ARG A 126 14.575 -3.919 -2.727 1.00 0.77 C ATOM 1874 C ARG A 126 14.584 -2.816 -1.670 1.00 0.77 C ATOM 1875 O ARG A 126 15.605 -2.587 -1.028 1.00 0.87 O ATOM 1876 CB ARG A 126 15.885 -3.891 -3.503 1.00 0.81 C ATOM 1877 CG ARG A 126 16.233 -5.204 -4.175 1.00 0.93 C ATOM 1878 CD ARG A 126 17.470 -5.052 -5.043 1.00 0.94 C ATOM 1879 NE ARG A 126 17.148 -4.638 -6.408 1.00 0.90 N ATOM 1880 CZ ARG A 126 17.405 -3.429 -6.914 1.00 0.83 C ATOM 1881 NH1 ARG A 126 17.951 -2.480 -6.160 1.00 0.81 N ATOM 1882 NH2 ARG A 126 17.103 -3.172 -8.180 1.00 0.89 N ATOM 0 H ARG A 126 13.658 -3.265 -4.490 1.00 0.73 H new ATOM 0 HA ARG A 126 14.467 -4.874 -2.213 1.00 0.77 H new ATOM 0 HB2 ARG A 126 15.829 -3.110 -4.262 1.00 0.81 H new ATOM 0 HB3 ARG A 126 16.692 -3.618 -2.823 1.00 0.81 H new ATOM 0 HG2 ARG A 126 16.405 -5.971 -3.419 1.00 0.93 H new ATOM 0 HG3 ARG A 126 15.394 -5.540 -4.785 1.00 0.93 H new ATOM 0 HD2 ARG A 126 18.138 -4.318 -4.592 1.00 0.94 H new ATOM 0 HD3 ARG A 126 18.009 -5.999 -5.071 1.00 0.94 H new ATOM 0 HE ARG A 126 16.695 -5.320 -7.016 1.00 0.90 H new ATOM 0 HH11 ARG A 126 18.178 -2.672 -5.184 1.00 0.81 H new ATOM 0 HH12 ARG A 126 18.143 -1.560 -6.557 1.00 0.81 H new ATOM 0 HH21 ARG A 126 16.678 -3.895 -8.760 1.00 0.89 H new ATOM 0 HH22 ARG A 126 17.296 -2.251 -8.574 1.00 0.89 H new ATOM 1896 N GLU A 127 13.466 -2.122 -1.501 1.00 0.76 N ATOM 1897 CA GLU A 127 13.400 -1.065 -0.503 1.00 0.77 C ATOM 1898 C GLU A 127 13.262 -1.662 0.896 1.00 0.74 C ATOM 1899 O GLU A 127 13.998 -1.295 1.807 1.00 0.75 O ATOM 1900 CB GLU A 127 12.254 -0.084 -0.778 1.00 0.88 C ATOM 1901 CG GLU A 127 10.861 -0.672 -0.606 1.00 0.97 C ATOM 1902 CD GLU A 127 9.784 0.377 -0.744 1.00 1.39 C ATOM 1903 OE1 GLU A 127 9.361 0.646 -1.878 1.00 1.87 O ATOM 1904 OE2 GLU A 127 9.362 0.929 0.287 1.00 2.04 O ATOM 0 H GLU A 127 12.607 -2.268 -2.032 1.00 0.76 H new ATOM 0 HA GLU A 127 14.332 -0.503 -0.563 1.00 0.77 H new ATOM 0 HB2 GLU A 127 12.358 0.772 -0.111 1.00 0.88 H new ATOM 0 HB3 GLU A 127 12.352 0.292 -1.796 1.00 0.88 H new ATOM 0 HG2 GLU A 127 10.703 -1.454 -1.349 1.00 0.97 H new ATOM 0 HG3 GLU A 127 10.785 -1.143 0.374 1.00 0.97 H new ATOM 1911 N ALA A 128 12.342 -2.603 1.048 1.00 0.78 N ATOM 1912 CA ALA A 128 12.108 -3.237 2.335 1.00 0.82 C ATOM 1913 C ALA A 128 12.757 -4.607 2.378 1.00 0.74 C ATOM 1914 O ALA A 128 12.671 -5.321 3.375 1.00 0.76 O ATOM 1915 CB ALA A 128 10.616 -3.339 2.606 1.00 0.96 C ATOM 0 H ALA A 128 11.745 -2.944 0.294 1.00 0.78 H new ATOM 0 HA ALA A 128 12.559 -2.623 3.115 1.00 0.82 H new ATOM 0 HB1 ALA A 128 10.454 -3.816 3.573 1.00 0.96 H new ATOM 0 HB2 ALA A 128 10.179 -2.341 2.616 1.00 0.96 H new ATOM 0 HB3 ALA A 128 10.144 -3.934 1.824 1.00 0.96 H new ATOM 1921 N ASP A 129 13.397 -4.968 1.278 1.00 0.71 N ATOM 1922 CA ASP A 129 14.085 -6.245 1.169 1.00 0.68 C ATOM 1923 C ASP A 129 15.386 -6.201 1.953 1.00 0.71 C ATOM 1924 O ASP A 129 16.430 -5.804 1.435 1.00 0.78 O ATOM 1925 CB ASP A 129 14.359 -6.562 -0.295 1.00 0.69 C ATOM 1926 CG ASP A 129 14.322 -8.042 -0.564 1.00 0.71 C ATOM 1927 OD1 ASP A 129 13.480 -8.724 0.042 1.00 0.87 O ATOM 1928 OD2 ASP A 129 15.129 -8.525 -1.377 1.00 0.76 O ATOM 0 H ASP A 129 13.455 -4.389 0.440 1.00 0.71 H new ATOM 0 HA ASP A 129 13.453 -7.029 1.585 1.00 0.68 H new ATOM 0 HB2 ASP A 129 13.620 -6.061 -0.920 1.00 0.69 H new ATOM 0 HB3 ASP A 129 15.335 -6.166 -0.576 1.00 0.69 H new ATOM 1933 N ILE A 130 15.310 -6.612 3.207 1.00 0.74 N ATOM 1934 CA ILE A 130 16.461 -6.586 4.098 1.00 0.81 C ATOM 1935 C ILE A 130 17.405 -7.753 3.835 1.00 0.84 C ATOM 1936 O ILE A 130 18.624 -7.622 3.956 1.00 0.92 O ATOM 1937 CB ILE A 130 15.998 -6.618 5.570 1.00 0.88 C ATOM 1938 CG1 ILE A 130 14.873 -5.603 5.797 1.00 0.86 C ATOM 1939 CG2 ILE A 130 17.160 -6.345 6.512 1.00 1.01 C ATOM 1940 CD1 ILE A 130 15.252 -4.177 5.448 1.00 0.88 C ATOM 0 H ILE A 130 14.457 -6.971 3.635 1.00 0.74 H new ATOM 0 HA ILE A 130 17.003 -5.661 3.903 1.00 0.81 H new ATOM 0 HB ILE A 130 15.616 -7.616 5.785 1.00 0.88 H new ATOM 0 HG12 ILE A 130 14.008 -5.895 5.201 1.00 0.86 H new ATOM 0 HG13 ILE A 130 14.568 -5.642 6.843 1.00 0.86 H new ATOM 0 HG21 ILE A 130 16.807 -6.373 7.543 1.00 1.01 H new ATOM 0 HG22 ILE A 130 17.929 -7.105 6.371 1.00 1.01 H new ATOM 0 HG23 ILE A 130 17.578 -5.361 6.298 1.00 1.01 H new ATOM 0 HD11 ILE A 130 14.404 -3.519 5.636 1.00 0.88 H new ATOM 0 HD12 ILE A 130 16.097 -3.864 6.062 1.00 0.88 H new ATOM 0 HD13 ILE A 130 15.528 -4.121 4.395 1.00 0.88 H new ATOM 1952 N ASP A 131 16.837 -8.893 3.476 1.00 0.83 N ATOM 1953 CA ASP A 131 17.624 -10.092 3.203 1.00 0.87 C ATOM 1954 C ASP A 131 18.201 -10.061 1.793 1.00 0.89 C ATOM 1955 O ASP A 131 19.322 -10.515 1.557 1.00 0.98 O ATOM 1956 CB ASP A 131 16.783 -11.365 3.411 1.00 0.88 C ATOM 1957 CG ASP A 131 15.410 -11.312 2.749 1.00 0.84 C ATOM 1958 OD1 ASP A 131 15.151 -10.402 1.940 1.00 1.02 O ATOM 1959 OD2 ASP A 131 14.561 -12.176 3.051 1.00 0.88 O ATOM 0 H ASP A 131 15.831 -9.017 3.366 1.00 0.83 H new ATOM 0 HA ASP A 131 18.453 -10.109 3.911 1.00 0.87 H new ATOM 0 HB2 ASP A 131 17.333 -12.220 3.018 1.00 0.88 H new ATOM 0 HB3 ASP A 131 16.654 -11.533 4.480 1.00 0.88 H new ATOM 1964 N GLY A 132 17.434 -9.522 0.860 1.00 0.87 N ATOM 1965 CA GLY A 132 17.880 -9.438 -0.512 1.00 0.92 C ATOM 1966 C GLY A 132 17.465 -10.652 -1.313 1.00 0.92 C ATOM 1967 O GLY A 132 18.191 -11.109 -2.194 1.00 0.94 O ATOM 0 H GLY A 132 16.504 -9.139 1.031 1.00 0.87 H new ATOM 0 HA2 GLY A 132 17.469 -8.540 -0.973 1.00 0.92 H new ATOM 0 HA3 GLY A 132 18.965 -9.340 -0.536 1.00 0.92 H new ATOM 1971 N ASP A 133 16.283 -11.167 -1.017 1.00 0.94 N ATOM 1972 CA ASP A 133 15.767 -12.345 -1.700 1.00 0.94 C ATOM 1973 C ASP A 133 14.845 -11.940 -2.848 1.00 0.89 C ATOM 1974 O ASP A 133 14.519 -12.754 -3.719 1.00 0.95 O ATOM 1975 CB ASP A 133 15.039 -13.270 -0.710 1.00 0.91 C ATOM 1976 CG ASP A 133 13.717 -12.716 -0.203 1.00 0.84 C ATOM 1977 OD1 ASP A 133 13.540 -11.480 -0.174 1.00 0.79 O ATOM 1978 OD2 ASP A 133 12.852 -13.524 0.201 1.00 0.95 O ATOM 0 H ASP A 133 15.659 -10.787 -0.305 1.00 0.94 H new ATOM 0 HA ASP A 133 16.609 -12.896 -2.120 1.00 0.94 H new ATOM 0 HB2 ASP A 133 14.857 -14.230 -1.192 1.00 0.91 H new ATOM 0 HB3 ASP A 133 15.692 -13.460 0.142 1.00 0.91 H new ATOM 1983 N GLY A 134 14.443 -10.673 -2.849 1.00 0.84 N ATOM 1984 CA GLY A 134 13.576 -10.159 -3.891 1.00 0.84 C ATOM 1985 C GLY A 134 12.114 -10.293 -3.539 1.00 0.74 C ATOM 1986 O GLY A 134 11.240 -10.112 -4.388 1.00 0.78 O ATOM 0 H GLY A 134 14.706 -9.989 -2.140 1.00 0.84 H new ATOM 0 HA2 GLY A 134 13.809 -9.109 -4.070 1.00 0.84 H new ATOM 0 HA3 GLY A 134 13.774 -10.692 -4.821 1.00 0.84 H new ATOM 1990 N GLN A 135 11.851 -10.609 -2.282 1.00 0.69 N ATOM 1991 CA GLN A 135 10.491 -10.786 -1.805 1.00 0.65 C ATOM 1992 C GLN A 135 10.284 -10.074 -0.472 1.00 0.63 C ATOM 1993 O GLN A 135 10.933 -10.404 0.513 1.00 0.73 O ATOM 1994 CB GLN A 135 10.191 -12.280 -1.660 1.00 0.68 C ATOM 1995 CG GLN A 135 10.090 -13.011 -2.986 1.00 0.77 C ATOM 1996 CD GLN A 135 10.157 -14.513 -2.834 1.00 0.88 C ATOM 1997 OE1 GLN A 135 9.756 -15.071 -1.813 1.00 1.26 O ATOM 1998 NE2 GLN A 135 10.667 -15.179 -3.854 1.00 1.23 N ATOM 0 H GLN A 135 12.567 -10.749 -1.570 1.00 0.69 H new ATOM 0 HA GLN A 135 9.806 -10.347 -2.530 1.00 0.65 H new ATOM 0 HB2 GLN A 135 10.974 -12.742 -1.058 1.00 0.68 H new ATOM 0 HB3 GLN A 135 9.255 -12.403 -1.115 1.00 0.68 H new ATOM 0 HG2 GLN A 135 9.153 -12.741 -3.474 1.00 0.77 H new ATOM 0 HG3 GLN A 135 10.897 -12.680 -3.640 1.00 0.77 H new ATOM 0 HE21 GLN A 135 10.988 -14.677 -4.682 1.00 1.23 H new ATOM 0 HE22 GLN A 135 10.740 -16.196 -3.814 1.00 1.23 H new ATOM 2007 N VAL A 136 9.406 -9.083 -0.448 1.00 0.60 N ATOM 2008 CA VAL A 136 9.117 -8.359 0.784 1.00 0.59 C ATOM 2009 C VAL A 136 8.083 -9.143 1.591 1.00 0.58 C ATOM 2010 O VAL A 136 6.942 -9.304 1.153 1.00 0.61 O ATOM 2011 CB VAL A 136 8.590 -6.917 0.525 1.00 0.60 C ATOM 2012 CG1 VAL A 136 8.273 -6.218 1.840 1.00 0.59 C ATOM 2013 CG2 VAL A 136 9.592 -6.085 -0.274 1.00 0.69 C ATOM 0 H VAL A 136 8.883 -8.762 -1.262 1.00 0.60 H new ATOM 0 HA VAL A 136 10.052 -8.263 1.337 1.00 0.59 H new ATOM 0 HB VAL A 136 7.677 -7.007 -0.064 1.00 0.60 H new ATOM 0 HG11 VAL A 136 7.906 -5.212 1.638 1.00 0.59 H new ATOM 0 HG12 VAL A 136 7.510 -6.781 2.377 1.00 0.59 H new ATOM 0 HG13 VAL A 136 9.176 -6.160 2.448 1.00 0.59 H new ATOM 0 HG21 VAL A 136 9.189 -5.085 -0.435 1.00 0.69 H new ATOM 0 HG22 VAL A 136 10.529 -6.014 0.279 1.00 0.69 H new ATOM 0 HG23 VAL A 136 9.775 -6.562 -1.237 1.00 0.69 H new ATOM 2023 N ASN A 137 8.494 -9.674 2.740 1.00 0.58 N ATOM 2024 CA ASN A 137 7.576 -10.425 3.590 1.00 0.59 C ATOM 2025 C ASN A 137 6.893 -9.495 4.587 1.00 0.59 C ATOM 2026 O ASN A 137 7.127 -8.286 4.583 1.00 0.59 O ATOM 2027 CB ASN A 137 8.268 -11.588 4.327 1.00 0.61 C ATOM 2028 CG ASN A 137 9.363 -11.154 5.280 1.00 0.63 C ATOM 2029 OD1 ASN A 137 9.096 -10.663 6.375 1.00 0.97 O ATOM 2030 ND2 ASN A 137 10.604 -11.360 4.881 1.00 0.86 N ATOM 0 H ASN A 137 9.445 -9.599 3.100 1.00 0.58 H new ATOM 0 HA ASN A 137 6.825 -10.866 2.935 1.00 0.59 H new ATOM 0 HB2 ASN A 137 7.517 -12.148 4.884 1.00 0.61 H new ATOM 0 HB3 ASN A 137 8.692 -12.270 3.590 1.00 0.61 H new ATOM 0 HD21 ASN A 137 11.384 -11.109 5.489 1.00 0.86 H new ATOM 0 HD22 ASN A 137 10.784 -11.770 3.964 1.00 0.86 H new ATOM 2037 N TYR A 138 6.045 -10.068 5.428 1.00 0.61 N ATOM 2038 CA TYR A 138 5.294 -9.300 6.418 1.00 0.63 C ATOM 2039 C TYR A 138 6.203 -8.551 7.392 1.00 0.63 C ATOM 2040 O TYR A 138 6.046 -7.351 7.569 1.00 0.65 O ATOM 2041 CB TYR A 138 4.346 -10.217 7.189 1.00 0.67 C ATOM 2042 CG TYR A 138 3.087 -9.528 7.672 1.00 0.72 C ATOM 2043 CD1 TYR A 138 2.138 -9.054 6.773 1.00 0.90 C ATOM 2044 CD2 TYR A 138 2.844 -9.360 9.030 1.00 0.89 C ATOM 2045 CE1 TYR A 138 0.983 -8.432 7.215 1.00 1.10 C ATOM 2046 CE2 TYR A 138 1.694 -8.738 9.477 1.00 1.04 C ATOM 2047 CZ TYR A 138 0.766 -8.277 8.569 1.00 1.10 C ATOM 2048 OH TYR A 138 -0.385 -7.665 9.015 1.00 1.35 O ATOM 0 H TYR A 138 5.857 -11.070 5.446 1.00 0.61 H new ATOM 0 HA TYR A 138 4.719 -8.552 5.872 1.00 0.63 H new ATOM 0 HB2 TYR A 138 4.068 -11.056 6.551 1.00 0.67 H new ATOM 0 HB3 TYR A 138 4.874 -10.631 8.048 1.00 0.67 H new ATOM 0 HD1 TYR A 138 2.305 -9.173 5.713 1.00 0.90 H new ATOM 0 HD2 TYR A 138 3.566 -9.721 9.748 1.00 0.89 H new ATOM 0 HE1 TYR A 138 0.255 -8.070 6.504 1.00 1.10 H new ATOM 0 HE2 TYR A 138 1.523 -8.613 10.536 1.00 1.04 H new ATOM 0 HH TYR A 138 -0.382 -7.637 9.995 1.00 1.35 H new ATOM 2058 N GLU A 139 7.155 -9.247 8.015 1.00 0.64 N ATOM 2059 CA GLU A 139 8.059 -8.607 8.975 1.00 0.66 C ATOM 2060 C GLU A 139 8.827 -7.470 8.319 1.00 0.62 C ATOM 2061 O GLU A 139 9.051 -6.424 8.927 1.00 0.60 O ATOM 2062 CB GLU A 139 9.055 -9.605 9.569 1.00 0.72 C ATOM 2063 CG GLU A 139 8.571 -10.292 10.838 1.00 1.39 C ATOM 2064 CD GLU A 139 7.235 -10.981 10.668 1.00 1.99 C ATOM 2065 OE1 GLU A 139 7.139 -11.881 9.807 1.00 2.39 O ATOM 2066 OE2 GLU A 139 6.284 -10.631 11.400 1.00 2.60 O ATOM 0 H GLU A 139 7.320 -10.244 7.875 1.00 0.64 H new ATOM 0 HA GLU A 139 7.438 -8.214 9.779 1.00 0.66 H new ATOM 0 HB2 GLU A 139 9.280 -10.365 8.821 1.00 0.72 H new ATOM 0 HB3 GLU A 139 9.988 -9.085 9.785 1.00 0.72 H new ATOM 0 HG2 GLU A 139 9.314 -11.025 11.153 1.00 1.39 H new ATOM 0 HG3 GLU A 139 8.493 -9.554 11.636 1.00 1.39 H new ATOM 2073 N GLU A 140 9.224 -7.681 7.075 1.00 0.61 N ATOM 2074 CA GLU A 140 9.955 -6.675 6.326 1.00 0.59 C ATOM 2075 C GLU A 140 9.086 -5.438 6.097 1.00 0.55 C ATOM 2076 O GLU A 140 9.549 -4.311 6.244 1.00 0.55 O ATOM 2077 CB GLU A 140 10.428 -7.251 4.991 1.00 0.60 C ATOM 2078 CG GLU A 140 11.680 -8.109 5.112 1.00 0.63 C ATOM 2079 CD GLU A 140 12.104 -8.720 3.788 1.00 0.62 C ATOM 2080 OE1 GLU A 140 11.249 -9.266 3.069 1.00 0.63 O ATOM 2081 OE2 GLU A 140 13.304 -8.682 3.453 1.00 0.66 O ATOM 0 H GLU A 140 9.051 -8.545 6.561 1.00 0.61 H new ATOM 0 HA GLU A 140 10.828 -6.377 6.906 1.00 0.59 H new ATOM 0 HB2 GLU A 140 9.627 -7.850 4.558 1.00 0.60 H new ATOM 0 HB3 GLU A 140 10.623 -6.432 4.299 1.00 0.60 H new ATOM 0 HG2 GLU A 140 12.495 -7.501 5.504 1.00 0.63 H new ATOM 0 HG3 GLU A 140 11.501 -8.906 5.834 1.00 0.63 H new ATOM 2088 N PHE A 141 7.821 -5.663 5.768 1.00 0.55 N ATOM 2089 CA PHE A 141 6.888 -4.570 5.519 1.00 0.54 C ATOM 2090 C PHE A 141 6.481 -3.869 6.823 1.00 0.55 C ATOM 2091 O PHE A 141 6.353 -2.645 6.858 1.00 0.56 O ATOM 2092 CB PHE A 141 5.649 -5.092 4.784 1.00 0.62 C ATOM 2093 CG PHE A 141 4.849 -4.008 4.119 1.00 0.62 C ATOM 2094 CD1 PHE A 141 5.299 -3.416 2.949 1.00 0.59 C ATOM 2095 CD2 PHE A 141 3.646 -3.583 4.664 1.00 0.80 C ATOM 2096 CE1 PHE A 141 4.568 -2.423 2.336 1.00 0.68 C ATOM 2097 CE2 PHE A 141 2.909 -2.588 4.055 1.00 0.88 C ATOM 2098 CZ PHE A 141 3.372 -2.006 2.888 1.00 0.79 C ATOM 0 H PHE A 141 7.416 -6.594 5.667 1.00 0.55 H new ATOM 0 HA PHE A 141 7.392 -3.835 4.892 1.00 0.54 H new ATOM 0 HB2 PHE A 141 5.960 -5.817 4.032 1.00 0.62 H new ATOM 0 HB3 PHE A 141 5.012 -5.621 5.492 1.00 0.62 H new ATOM 0 HD1 PHE A 141 6.234 -3.737 2.513 1.00 0.59 H new ATOM 0 HD2 PHE A 141 3.282 -4.036 5.575 1.00 0.80 H new ATOM 0 HE1 PHE A 141 4.929 -1.970 1.424 1.00 0.68 H new ATOM 0 HE2 PHE A 141 1.974 -2.265 4.488 1.00 0.88 H new ATOM 0 HZ PHE A 141 2.799 -1.226 2.409 1.00 0.79 H new ATOM 2108 N VAL A 142 6.289 -4.637 7.896 1.00 0.57 N ATOM 2109 CA VAL A 142 5.897 -4.062 9.188 1.00 0.60 C ATOM 2110 C VAL A 142 6.999 -3.158 9.743 1.00 0.59 C ATOM 2111 O VAL A 142 6.751 -2.015 10.125 1.00 0.58 O ATOM 2112 CB VAL A 142 5.559 -5.156 10.241 1.00 0.65 C ATOM 2113 CG1 VAL A 142 5.304 -4.542 11.615 1.00 0.70 C ATOM 2114 CG2 VAL A 142 4.348 -5.968 9.813 1.00 0.66 C ATOM 0 H VAL A 142 6.397 -5.651 7.899 1.00 0.57 H new ATOM 0 HA VAL A 142 4.998 -3.474 9.002 1.00 0.60 H new ATOM 0 HB VAL A 142 6.423 -5.817 10.309 1.00 0.65 H new ATOM 0 HG11 VAL A 142 5.070 -5.332 12.329 1.00 0.70 H new ATOM 0 HG12 VAL A 142 6.194 -4.006 11.945 1.00 0.70 H new ATOM 0 HG13 VAL A 142 4.465 -3.849 11.554 1.00 0.70 H new ATOM 0 HG21 VAL A 142 4.133 -6.726 10.567 1.00 0.66 H new ATOM 0 HG22 VAL A 142 3.487 -5.308 9.706 1.00 0.66 H new ATOM 0 HG23 VAL A 142 4.554 -6.453 8.859 1.00 0.66 H new ATOM 2124 N GLN A 143 8.226 -3.660 9.741 1.00 0.61 N ATOM 2125 CA GLN A 143 9.372 -2.919 10.269 1.00 0.62 C ATOM 2126 C GLN A 143 9.791 -1.776 9.339 1.00 0.59 C ATOM 2127 O GLN A 143 10.664 -0.975 9.681 1.00 0.69 O ATOM 2128 CB GLN A 143 10.541 -3.884 10.472 1.00 0.72 C ATOM 2129 CG GLN A 143 10.260 -4.970 11.503 1.00 1.03 C ATOM 2130 CD GLN A 143 11.289 -6.088 11.489 1.00 1.17 C ATOM 2131 OE1 GLN A 143 11.598 -6.671 12.528 1.00 1.50 O ATOM 2132 NE2 GLN A 143 11.815 -6.410 10.316 1.00 1.47 N ATOM 0 H GLN A 143 8.458 -4.584 9.377 1.00 0.61 H new ATOM 0 HA GLN A 143 9.082 -2.473 11.220 1.00 0.62 H new ATOM 0 HB2 GLN A 143 10.784 -4.353 9.519 1.00 0.72 H new ATOM 0 HB3 GLN A 143 11.419 -3.318 10.782 1.00 0.72 H new ATOM 0 HG2 GLN A 143 10.234 -4.521 12.496 1.00 1.03 H new ATOM 0 HG3 GLN A 143 9.272 -5.392 11.317 1.00 1.03 H new ATOM 0 HE21 GLN A 143 11.535 -5.905 9.475 1.00 1.47 H new ATOM 0 HE22 GLN A 143 12.500 -7.163 10.254 1.00 1.47 H new ATOM 2141 N MET A 144 9.165 -1.701 8.174 1.00 0.57 N ATOM 2142 CA MET A 144 9.496 -0.677 7.192 1.00 0.62 C ATOM 2143 C MET A 144 8.417 0.405 7.087 1.00 0.62 C ATOM 2144 O MET A 144 8.731 1.575 6.914 1.00 0.70 O ATOM 2145 CB MET A 144 9.715 -1.329 5.828 1.00 0.72 C ATOM 2146 CG MET A 144 10.869 -0.739 5.034 1.00 0.84 C ATOM 2147 SD MET A 144 10.505 0.900 4.388 1.00 0.89 S ATOM 2148 CE MET A 144 9.128 0.535 3.303 1.00 0.88 C ATOM 0 H MET A 144 8.423 -2.338 7.884 1.00 0.57 H new ATOM 0 HA MET A 144 10.410 -0.186 7.525 1.00 0.62 H new ATOM 0 HB2 MET A 144 9.895 -2.394 5.972 1.00 0.72 H new ATOM 0 HB3 MET A 144 8.800 -1.236 5.242 1.00 0.72 H new ATOM 0 HG2 MET A 144 11.752 -0.686 5.671 1.00 0.84 H new ATOM 0 HG3 MET A 144 11.112 -1.405 4.206 1.00 0.84 H new ATOM 0 HE1 MET A 144 8.810 1.448 2.799 1.00 0.88 H new ATOM 0 HE2 MET A 144 9.435 -0.202 2.561 1.00 0.88 H new ATOM 0 HE3 MET A 144 8.299 0.137 3.888 1.00 0.88 H new ATOM 2158 N MET A 145 7.150 0.032 7.207 1.00 0.62 N ATOM 2159 CA MET A 145 6.076 1.014 7.084 1.00 0.70 C ATOM 2160 C MET A 145 5.477 1.376 8.437 1.00 0.69 C ATOM 2161 O MET A 145 5.007 2.494 8.638 1.00 0.74 O ATOM 2162 CB MET A 145 4.978 0.502 6.143 1.00 0.81 C ATOM 2163 CG MET A 145 4.403 1.582 5.230 1.00 1.05 C ATOM 2164 SD MET A 145 2.650 1.343 4.867 1.00 0.94 S ATOM 2165 CE MET A 145 1.930 1.633 6.484 1.00 1.47 C ATOM 0 H MET A 145 6.842 -0.924 7.386 1.00 0.62 H new ATOM 0 HA MET A 145 6.515 1.918 6.662 1.00 0.70 H new ATOM 0 HB2 MET A 145 5.383 -0.303 5.530 1.00 0.81 H new ATOM 0 HB3 MET A 145 4.171 0.074 6.738 1.00 0.81 H new ATOM 0 HG2 MET A 145 4.541 2.557 5.698 1.00 1.05 H new ATOM 0 HG3 MET A 145 4.963 1.595 4.295 1.00 1.05 H new ATOM 0 HE1 MET A 145 0.891 1.943 6.369 1.00 1.47 H new ATOM 0 HE2 MET A 145 1.972 0.715 7.071 1.00 1.47 H new ATOM 0 HE3 MET A 145 2.488 2.417 6.996 1.00 1.47 H new ATOM 2175 N THR A 146 5.513 0.436 9.372 1.00 0.68 N ATOM 2176 CA THR A 146 4.966 0.666 10.702 1.00 0.74 C ATOM 2177 C THR A 146 6.070 1.060 11.680 1.00 0.81 C ATOM 2178 O THR A 146 5.822 1.343 12.853 1.00 0.94 O ATOM 2179 CB THR A 146 4.240 -0.593 11.204 1.00 0.89 C ATOM 2180 OG1 THR A 146 3.471 -1.159 10.133 1.00 0.93 O ATOM 2181 CG2 THR A 146 3.324 -0.268 12.373 1.00 1.07 C ATOM 0 H THR A 146 5.915 -0.491 9.234 1.00 0.68 H new ATOM 0 HA THR A 146 4.251 1.486 10.640 1.00 0.74 H new ATOM 0 HB THR A 146 4.988 -1.309 11.545 1.00 0.89 H new ATOM 0 HG1 THR A 146 3.009 -1.963 10.451 1.00 0.93 H new ATOM 0 HG21 THR A 146 2.824 -1.177 12.707 1.00 1.07 H new ATOM 0 HG22 THR A 146 3.912 0.145 13.193 1.00 1.07 H new ATOM 0 HG23 THR A 146 2.578 0.462 12.059 1.00 1.07 H new ATOM 2189 N ALA A 147 7.292 1.100 11.183 1.00 0.91 N ATOM 2190 CA ALA A 147 8.434 1.456 12.007 1.00 1.05 C ATOM 2191 C ALA A 147 9.430 2.282 11.212 1.00 1.22 C ATOM 2192 O ALA A 147 9.248 2.485 10.015 1.00 1.28 O ATOM 2193 CB ALA A 147 9.095 0.202 12.553 1.00 1.33 C ATOM 0 H ALA A 147 7.520 0.890 10.211 1.00 0.91 H new ATOM 0 HA ALA A 147 8.085 2.059 12.845 1.00 1.05 H new ATOM 0 HB1 ALA A 147 9.950 0.480 13.169 1.00 1.33 H new ATOM 0 HB2 ALA A 147 8.378 -0.354 13.157 1.00 1.33 H new ATOM 0 HB3 ALA A 147 9.432 -0.422 11.725 1.00 1.33 H new ATOM 2200 N MET B 1 -10.978 -1.017 0.657 1.00 1.22 N ATOM 2201 CA MET B 1 -9.682 -0.562 1.227 1.00 0.87 C ATOM 2202 C MET B 1 -8.754 -0.113 0.110 1.00 0.74 C ATOM 2203 O MET B 1 -7.622 0.291 0.344 1.00 0.83 O ATOM 2204 CB MET B 1 -9.022 -1.678 2.026 1.00 1.06 C ATOM 2205 CG MET B 1 -8.279 -1.189 3.256 1.00 1.77 C ATOM 2206 SD MET B 1 -9.328 -0.233 4.356 1.00 2.30 S ATOM 2207 CE MET B 1 -8.461 -0.443 5.909 1.00 2.55 C ATOM 0 H1 MET B 1 -11.664 -1.161 1.425 1.00 1.22 H new ATOM 0 H2 MET B 1 -11.340 -0.297 0.000 1.00 1.22 H new ATOM 0 H3 MET B 1 -10.837 -1.912 0.146 1.00 1.22 H new ATOM 0 HA MET B 1 -9.876 0.276 1.896 1.00 0.87 H new ATOM 0 HB2 MET B 1 -9.785 -2.393 2.333 1.00 1.06 H new ATOM 0 HB3 MET B 1 -8.326 -2.213 1.380 1.00 1.06 H new ATOM 0 HG2 MET B 1 -7.875 -2.045 3.797 1.00 1.77 H new ATOM 0 HG3 MET B 1 -7.431 -0.579 2.946 1.00 1.77 H new ATOM 0 HE1 MET B 1 -8.557 0.464 6.505 1.00 2.55 H new ATOM 0 HE2 MET B 1 -8.891 -1.283 6.455 1.00 2.55 H new ATOM 0 HE3 MET B 1 -7.407 -0.638 5.714 1.00 2.55 H new ATOM 2219 N ASP B 2 -9.248 -0.253 -1.103 1.00 0.76 N ATOM 2220 CA ASP B 2 -8.527 0.078 -2.321 1.00 0.78 C ATOM 2221 C ASP B 2 -7.913 1.469 -2.263 1.00 0.70 C ATOM 2222 O ASP B 2 -6.697 1.626 -2.305 1.00 0.70 O ATOM 2223 CB ASP B 2 -9.504 -0.009 -3.497 1.00 0.98 C ATOM 2224 CG ASP B 2 -10.639 -0.983 -3.219 1.00 1.25 C ATOM 2225 OD1 ASP B 2 -11.442 -0.719 -2.280 1.00 1.67 O ATOM 2226 OD2 ASP B 2 -10.713 -2.016 -3.897 1.00 1.88 O ATOM 0 H ASP B 2 -10.188 -0.610 -1.277 1.00 0.76 H new ATOM 0 HA ASP B 2 -7.707 -0.629 -2.442 1.00 0.78 H new ATOM 0 HB2 ASP B 2 -9.915 0.979 -3.701 1.00 0.98 H new ATOM 0 HB3 ASP B 2 -8.968 -0.322 -4.393 1.00 0.98 H new ATOM 2231 N CYS B 3 -8.768 2.469 -2.162 1.00 0.64 N ATOM 2232 CA CYS B 3 -8.340 3.861 -2.113 1.00 0.57 C ATOM 2233 C CYS B 3 -7.334 4.136 -0.971 1.00 0.57 C ATOM 2234 O CYS B 3 -6.454 4.996 -1.093 1.00 0.59 O ATOM 2235 CB CYS B 3 -9.586 4.752 -2.035 1.00 0.51 C ATOM 2236 SG CYS B 3 -10.722 4.545 -3.453 1.00 0.42 S ATOM 0 H CYS B 3 -9.779 2.343 -2.111 1.00 0.64 H new ATOM 0 HA CYS B 3 -7.791 4.098 -3.024 1.00 0.57 H new ATOM 0 HB2 CYS B 3 -10.124 4.530 -1.113 1.00 0.51 H new ATOM 0 HB3 CYS B 3 -9.274 5.795 -1.979 1.00 0.51 H new ATOM 0 HG CYS B 3 -10.033 4.452 -4.551 1.00 0.42 H new ATOM 2242 N LEU B 4 -7.423 3.373 0.112 1.00 0.59 N ATOM 2243 CA LEU B 4 -6.508 3.530 1.245 1.00 0.61 C ATOM 2244 C LEU B 4 -5.211 2.795 0.962 1.00 0.57 C ATOM 2245 O LEU B 4 -4.137 3.295 1.276 1.00 0.56 O ATOM 2246 CB LEU B 4 -7.172 3.001 2.522 1.00 0.67 C ATOM 2247 CG LEU B 4 -6.413 3.239 3.828 1.00 0.90 C ATOM 2248 CD1 LEU B 4 -5.772 4.616 3.849 1.00 1.09 C ATOM 2249 CD2 LEU B 4 -7.338 3.051 5.022 1.00 1.25 C ATOM 0 H LEU B 4 -8.119 2.637 0.233 1.00 0.59 H new ATOM 0 HA LEU B 4 -6.279 4.586 1.388 1.00 0.61 H new ATOM 0 HB2 LEU B 4 -8.157 3.459 2.610 1.00 0.67 H new ATOM 0 HB3 LEU B 4 -7.328 1.928 2.407 1.00 0.67 H new ATOM 0 HG LEU B 4 -5.612 2.502 3.893 1.00 0.90 H new ATOM 0 HD11 LEU B 4 -5.240 4.755 4.790 1.00 1.09 H new ATOM 0 HD12 LEU B 4 -5.071 4.704 3.019 1.00 1.09 H new ATOM 0 HD13 LEU B 4 -6.545 5.379 3.753 1.00 1.09 H new ATOM 0 HD21 LEU B 4 -6.782 3.224 5.944 1.00 1.25 H new ATOM 0 HD22 LEU B 4 -8.164 3.760 4.958 1.00 1.25 H new ATOM 0 HD23 LEU B 4 -7.731 2.034 5.021 1.00 1.25 H new ATOM 2261 N CYS B 5 -5.306 1.628 0.331 1.00 0.58 N ATOM 2262 CA CYS B 5 -4.116 0.871 -0.004 1.00 0.57 C ATOM 2263 C CYS B 5 -3.320 1.670 -1.011 1.00 0.59 C ATOM 2264 O CYS B 5 -2.107 1.565 -1.077 1.00 0.61 O ATOM 2265 CB CYS B 5 -4.455 -0.523 -0.542 1.00 0.61 C ATOM 2266 SG CYS B 5 -4.843 -0.589 -2.310 1.00 0.60 S ATOM 0 H CYS B 5 -6.185 1.195 0.047 1.00 0.58 H new ATOM 0 HA CYS B 5 -3.525 0.710 0.897 1.00 0.57 H new ATOM 0 HB2 CYS B 5 -3.613 -1.186 -0.345 1.00 0.61 H new ATOM 0 HB3 CYS B 5 -5.306 -0.914 0.016 1.00 0.61 H new ATOM 0 HG CYS B 5 -5.762 0.288 -2.586 1.00 0.60 H new ATOM 2272 N ILE B 6 -4.028 2.488 -1.788 1.00 0.59 N ATOM 2273 CA ILE B 6 -3.389 3.367 -2.747 1.00 0.61 C ATOM 2274 C ILE B 6 -2.543 4.355 -1.962 1.00 0.58 C ATOM 2275 O ILE B 6 -1.394 4.625 -2.315 1.00 0.60 O ATOM 2276 CB ILE B 6 -4.421 4.122 -3.630 1.00 0.60 C ATOM 2277 CG1 ILE B 6 -4.717 3.317 -4.903 1.00 0.61 C ATOM 2278 CG2 ILE B 6 -3.935 5.528 -3.972 1.00 0.62 C ATOM 2279 CD1 ILE B 6 -5.023 4.166 -6.115 1.00 0.53 C ATOM 0 H ILE B 6 -5.046 2.555 -1.767 1.00 0.59 H new ATOM 0 HA ILE B 6 -2.777 2.776 -3.428 1.00 0.61 H new ATOM 0 HB ILE B 6 -5.345 4.226 -3.062 1.00 0.60 H new ATOM 0 HG12 ILE B 6 -3.860 2.682 -5.125 1.00 0.61 H new ATOM 0 HG13 ILE B 6 -5.563 2.656 -4.713 1.00 0.61 H new ATOM 0 HG21 ILE B 6 -4.679 6.030 -4.590 1.00 0.62 H new ATOM 0 HG22 ILE B 6 -3.785 6.095 -3.053 1.00 0.62 H new ATOM 0 HG23 ILE B 6 -2.993 5.465 -4.517 1.00 0.62 H new ATOM 0 HD11 ILE B 6 -5.220 3.521 -6.971 1.00 0.53 H new ATOM 0 HD12 ILE B 6 -5.900 4.782 -5.916 1.00 0.53 H new ATOM 0 HD13 ILE B 6 -4.170 4.808 -6.334 1.00 0.53 H new ATOM 2291 N VAL B 7 -3.120 4.875 -0.875 1.00 0.54 N ATOM 2292 CA VAL B 7 -2.400 5.800 -0.013 1.00 0.51 C ATOM 2293 C VAL B 7 -1.211 5.081 0.623 1.00 0.52 C ATOM 2294 O VAL B 7 -0.114 5.633 0.712 1.00 0.57 O ATOM 2295 CB VAL B 7 -3.300 6.445 1.084 1.00 0.48 C ATOM 2296 CG1 VAL B 7 -2.524 7.551 1.793 1.00 0.46 C ATOM 2297 CG2 VAL B 7 -4.566 7.007 0.458 1.00 0.56 C ATOM 0 H VAL B 7 -4.074 4.670 -0.578 1.00 0.54 H new ATOM 0 HA VAL B 7 -2.051 6.621 -0.639 1.00 0.51 H new ATOM 0 HB VAL B 7 -3.583 5.684 1.811 1.00 0.48 H new ATOM 0 HG11 VAL B 7 -3.153 8.002 2.560 1.00 0.46 H new ATOM 0 HG12 VAL B 7 -1.632 7.130 2.257 1.00 0.46 H new ATOM 0 HG13 VAL B 7 -2.232 8.312 1.069 1.00 0.46 H new ATOM 0 HG21 VAL B 7 -5.187 7.455 1.233 1.00 0.56 H new ATOM 0 HG22 VAL B 7 -4.302 7.766 -0.279 1.00 0.56 H new ATOM 0 HG23 VAL B 7 -5.118 6.204 -0.030 1.00 0.56 H new ATOM 2307 N THR B 8 -1.423 3.832 1.027 1.00 0.51 N ATOM 2308 CA THR B 8 -0.363 3.023 1.617 1.00 0.52 C ATOM 2309 C THR B 8 0.731 2.766 0.589 1.00 0.58 C ATOM 2310 O THR B 8 1.918 2.860 0.891 1.00 0.62 O ATOM 2311 CB THR B 8 -0.921 1.677 2.116 1.00 0.53 C ATOM 2312 OG1 THR B 8 -2.221 1.881 2.673 1.00 0.58 O ATOM 2313 CG2 THR B 8 -0.013 1.036 3.163 1.00 0.63 C ATOM 0 H THR B 8 -2.323 3.357 0.956 1.00 0.51 H new ATOM 0 HA THR B 8 0.053 3.570 2.464 1.00 0.52 H new ATOM 0 HB THR B 8 -0.975 1.000 1.264 1.00 0.53 H new ATOM 0 HG1 THR B 8 -2.633 1.014 2.868 1.00 0.58 H new ATOM 0 HG21 THR B 8 -0.444 0.089 3.488 1.00 0.63 H new ATOM 0 HG22 THR B 8 0.971 0.857 2.731 1.00 0.63 H new ATOM 0 HG23 THR B 8 0.083 1.704 4.019 1.00 0.63 H new ATOM 2321 N THR B 9 0.313 2.470 -0.636 1.00 0.63 N ATOM 2322 CA THR B 9 1.236 2.216 -1.730 1.00 0.70 C ATOM 2323 C THR B 9 2.075 3.461 -2.006 1.00 0.73 C ATOM 2324 O THR B 9 3.260 3.371 -2.312 1.00 0.78 O ATOM 2325 CB THR B 9 0.478 1.792 -3.015 1.00 0.75 C ATOM 2326 OG1 THR B 9 -0.347 0.652 -2.739 1.00 0.83 O ATOM 2327 CG2 THR B 9 1.448 1.445 -4.135 1.00 0.71 C ATOM 0 H THR B 9 -0.671 2.400 -0.896 1.00 0.63 H new ATOM 0 HA THR B 9 1.892 1.397 -1.437 1.00 0.70 H new ATOM 0 HB THR B 9 -0.139 2.632 -3.334 1.00 0.75 H new ATOM 0 HG1 THR B 9 -1.090 0.919 -2.158 1.00 0.83 H new ATOM 0 HG21 THR B 9 0.888 1.151 -5.023 1.00 0.71 H new ATOM 0 HG22 THR B 9 2.064 2.314 -4.365 1.00 0.71 H new ATOM 0 HG23 THR B 9 2.087 0.620 -3.820 1.00 0.71 H new ATOM 2335 N LYS B 10 1.457 4.626 -1.866 1.00 0.74 N ATOM 2336 CA LYS B 10 2.150 5.883 -2.086 1.00 0.80 C ATOM 2337 C LYS B 10 3.040 6.215 -0.895 1.00 0.81 C ATOM 2338 O LYS B 10 4.068 6.870 -1.053 1.00 0.87 O ATOM 2339 CB LYS B 10 1.147 7.013 -2.339 1.00 0.82 C ATOM 2340 CG LYS B 10 0.710 7.122 -3.794 1.00 1.07 C ATOM 2341 CD LYS B 10 1.028 8.489 -4.393 1.00 1.51 C ATOM 2342 CE LYS B 10 2.515 8.650 -4.681 1.00 1.88 C ATOM 2343 NZ LYS B 10 3.258 9.185 -3.508 1.00 2.03 N ATOM 0 H LYS B 10 0.477 4.724 -1.601 1.00 0.74 H new ATOM 0 HA LYS B 10 2.780 5.780 -2.969 1.00 0.80 H new ATOM 0 HB2 LYS B 10 0.268 6.854 -1.715 1.00 0.82 H new ATOM 0 HB3 LYS B 10 1.591 7.959 -2.029 1.00 0.82 H new ATOM 0 HG2 LYS B 10 1.206 6.347 -4.379 1.00 1.07 H new ATOM 0 HG3 LYS B 10 -0.362 6.938 -3.864 1.00 1.07 H new ATOM 0 HD2 LYS B 10 0.463 8.622 -5.316 1.00 1.51 H new ATOM 0 HD3 LYS B 10 0.704 9.271 -3.706 1.00 1.51 H new ATOM 0 HE2 LYS B 10 2.935 7.685 -4.966 1.00 1.88 H new ATOM 0 HE3 LYS B 10 2.649 9.320 -5.530 1.00 1.88 H new ATOM 0 HZ1 LYS B 10 4.235 9.406 -3.787 1.00 2.03 H new ATOM 0 HZ2 LYS B 10 2.792 10.049 -3.166 1.00 2.03 H new ATOM 0 HZ3 LYS B 10 3.267 8.474 -2.749 1.00 2.03 H new ATOM 2357 N LYS B 11 2.636 5.777 0.295 1.00 0.77 N ATOM 2358 CA LYS B 11 3.426 6.007 1.500 1.00 0.79 C ATOM 2359 C LYS B 11 4.639 5.080 1.481 1.00 0.82 C ATOM 2360 O LYS B 11 5.750 5.482 1.826 1.00 0.89 O ATOM 2361 CB LYS B 11 2.584 5.777 2.767 1.00 0.74 C ATOM 2362 CG LYS B 11 3.156 6.450 4.014 1.00 0.73 C ATOM 2363 CD LYS B 11 3.745 5.449 4.998 1.00 0.86 C ATOM 2364 CE LYS B 11 4.412 6.156 6.171 1.00 1.02 C ATOM 2365 NZ LYS B 11 5.216 5.223 7.010 1.00 1.32 N ATOM 0 H LYS B 11 1.769 5.263 0.450 1.00 0.77 H new ATOM 0 HA LYS B 11 3.760 7.044 1.517 1.00 0.79 H new ATOM 0 HB2 LYS B 11 1.574 6.150 2.594 1.00 0.74 H new ATOM 0 HB3 LYS B 11 2.502 4.705 2.948 1.00 0.74 H new ATOM 0 HG2 LYS B 11 3.928 7.161 3.718 1.00 0.73 H new ATOM 0 HG3 LYS B 11 2.370 7.021 4.508 1.00 0.73 H new ATOM 0 HD2 LYS B 11 2.958 4.791 5.367 1.00 0.86 H new ATOM 0 HD3 LYS B 11 4.474 4.819 4.488 1.00 0.86 H new ATOM 0 HE2 LYS B 11 5.057 6.950 5.795 1.00 1.02 H new ATOM 0 HE3 LYS B 11 3.649 6.630 6.788 1.00 1.02 H new ATOM 0 HZ1 LYS B 11 5.366 5.643 7.950 1.00 1.32 H new ATOM 0 HZ2 LYS B 11 4.708 4.321 7.111 1.00 1.32 H new ATOM 0 HZ3 LYS B 11 6.136 5.053 6.556 1.00 1.32 H new ATOM 2379 N TYR B 12 4.409 3.844 1.041 1.00 0.78 N ATOM 2380 CA TYR B 12 5.464 2.842 0.930 1.00 0.81 C ATOM 2381 C TYR B 12 6.441 3.278 -0.156 1.00 0.95 C ATOM 2382 O TYR B 12 7.649 3.280 0.045 1.00 1.01 O ATOM 2383 CB TYR B 12 4.849 1.461 0.609 1.00 0.78 C ATOM 2384 CG TYR B 12 5.848 0.328 0.421 1.00 0.80 C ATOM 2385 CD1 TYR B 12 6.474 -0.280 1.509 1.00 0.64 C ATOM 2386 CD2 TYR B 12 6.159 -0.140 -0.850 1.00 1.14 C ATOM 2387 CE1 TYR B 12 7.380 -1.315 1.330 1.00 0.78 C ATOM 2388 CE2 TYR B 12 7.064 -1.167 -1.039 1.00 1.21 C ATOM 2389 CZ TYR B 12 7.675 -1.752 0.052 1.00 1.01 C ATOM 2390 OH TYR B 12 8.599 -2.762 -0.141 1.00 1.17 O ATOM 0 H TYR B 12 3.489 3.511 0.753 1.00 0.78 H new ATOM 0 HA TYR B 12 6.001 2.754 1.874 1.00 0.81 H new ATOM 0 HB2 TYR B 12 4.166 1.190 1.414 1.00 0.78 H new ATOM 0 HB3 TYR B 12 4.252 1.550 -0.299 1.00 0.78 H new ATOM 0 HD1 TYR B 12 6.249 0.061 2.509 1.00 0.64 H new ATOM 0 HD2 TYR B 12 5.683 0.309 -1.709 1.00 1.14 H new ATOM 0 HE1 TYR B 12 7.852 -1.777 2.184 1.00 0.78 H new ATOM 0 HE2 TYR B 12 7.293 -1.511 -2.037 1.00 1.21 H new ATOM 0 HH TYR B 12 8.686 -2.947 -1.099 1.00 1.17 H new ATOM 2400 N ARG B 13 5.898 3.714 -1.292 1.00 1.05 N ATOM 2401 CA ARG B 13 6.722 4.174 -2.406 1.00 1.20 C ATOM 2402 C ARG B 13 7.484 5.441 -2.022 1.00 1.27 C ATOM 2403 O ARG B 13 8.511 5.767 -2.613 1.00 1.46 O ATOM 2404 CB ARG B 13 5.868 4.426 -3.652 1.00 1.27 C ATOM 2405 CG ARG B 13 6.505 3.883 -4.922 1.00 1.21 C ATOM 2406 CD ARG B 13 5.492 3.697 -6.041 1.00 1.62 C ATOM 2407 NE ARG B 13 5.070 4.962 -6.647 1.00 2.12 N ATOM 2408 CZ ARG B 13 5.882 5.792 -7.309 1.00 2.44 C ATOM 2409 NH1 ARG B 13 7.191 5.562 -7.375 1.00 2.69 N ATOM 2410 NH2 ARG B 13 5.373 6.863 -7.898 1.00 3.10 N ATOM 0 H ARG B 13 4.894 3.758 -1.464 1.00 1.05 H new ATOM 0 HA ARG B 13 7.442 3.389 -2.638 1.00 1.20 H new ATOM 0 HB2 ARG B 13 4.890 3.965 -3.516 1.00 1.27 H new ATOM 0 HB3 ARG B 13 5.703 5.498 -3.763 1.00 1.27 H new ATOM 0 HG2 ARG B 13 7.288 4.565 -5.253 1.00 1.21 H new ATOM 0 HG3 ARG B 13 6.984 2.928 -4.706 1.00 1.21 H new ATOM 0 HD2 ARG B 13 5.923 3.057 -6.811 1.00 1.62 H new ATOM 0 HD3 ARG B 13 4.617 3.178 -5.649 1.00 1.62 H new ATOM 0 HE ARG B 13 4.089 5.228 -6.558 1.00 2.12 H new ATOM 0 HH11 ARG B 13 7.589 4.742 -6.916 1.00 2.69 H new ATOM 0 HH12 ARG B 13 7.797 6.205 -7.884 1.00 2.69 H new ATOM 0 HH21 ARG B 13 4.371 7.047 -7.844 1.00 3.10 H new ATOM 0 HH22 ARG B 13 5.983 7.504 -8.406 1.00 3.10 H new ATOM 2424 N TYR B 14 6.962 6.164 -1.034 1.00 1.21 N ATOM 2425 CA TYR B 14 7.604 7.379 -0.555 1.00 1.29 C ATOM 2426 C TYR B 14 8.716 7.017 0.426 1.00 1.32 C ATOM 2427 O TYR B 14 9.640 7.796 0.654 1.00 1.47 O ATOM 2428 CB TYR B 14 6.575 8.305 0.102 1.00 1.24 C ATOM 2429 CG TYR B 14 7.002 9.755 0.150 1.00 1.21 C ATOM 2430 CD1 TYR B 14 7.148 10.487 -1.020 1.00 1.23 C ATOM 2431 CD2 TYR B 14 7.255 10.391 1.359 1.00 1.26 C ATOM 2432 CE1 TYR B 14 7.535 11.811 -0.990 1.00 1.26 C ATOM 2433 CE2 TYR B 14 7.642 11.718 1.396 1.00 1.30 C ATOM 2434 CZ TYR B 14 7.780 12.422 0.220 1.00 1.28 C ATOM 2435 OH TYR B 14 8.171 13.741 0.255 1.00 1.38 O ATOM 0 H TYR B 14 6.095 5.927 -0.551 1.00 1.21 H new ATOM 0 HA TYR B 14 8.041 7.911 -1.400 1.00 1.29 H new ATOM 0 HB2 TYR B 14 5.634 8.231 -0.442 1.00 1.24 H new ATOM 0 HB3 TYR B 14 6.384 7.958 1.118 1.00 1.24 H new ATOM 0 HD1 TYR B 14 6.955 10.012 -1.971 1.00 1.23 H new ATOM 0 HD2 TYR B 14 7.148 9.841 2.283 1.00 1.26 H new ATOM 0 HE1 TYR B 14 7.645 12.365 -1.910 1.00 1.26 H new ATOM 0 HE2 TYR B 14 7.835 12.200 2.343 1.00 1.30 H new ATOM 0 HH TYR B 14 8.302 14.019 1.186 1.00 1.38 H new ATOM 2445 N GLN B 15 8.608 5.825 1.005 1.00 1.21 N ATOM 2446 CA GLN B 15 9.608 5.313 1.928 1.00 1.23 C ATOM 2447 C GLN B 15 10.862 4.951 1.134 1.00 1.37 C ATOM 2448 O GLN B 15 11.983 5.143 1.604 1.00 1.37 O ATOM 2449 CB GLN B 15 9.062 4.087 2.675 1.00 1.12 C ATOM 2450 CG GLN B 15 9.354 4.070 4.171 1.00 1.04 C ATOM 2451 CD GLN B 15 8.610 5.148 4.928 1.00 1.16 C ATOM 2452 OE1 GLN B 15 7.477 4.945 5.379 1.00 1.25 O ATOM 2453 NE2 GLN B 15 9.241 6.295 5.081 1.00 1.41 N ATOM 0 H GLN B 15 7.826 5.190 0.846 1.00 1.21 H new ATOM 0 HA GLN B 15 9.855 6.072 2.670 1.00 1.23 H new ATOM 0 HB2 GLN B 15 7.983 4.040 2.529 1.00 1.12 H new ATOM 0 HB3 GLN B 15 9.484 3.188 2.226 1.00 1.12 H new ATOM 0 HG2 GLN B 15 9.084 3.095 4.578 1.00 1.04 H new ATOM 0 HG3 GLN B 15 10.425 4.196 4.329 1.00 1.04 H new ATOM 0 HE21 GLN B 15 10.176 6.419 4.692 1.00 1.41 H new ATOM 0 HE22 GLN B 15 8.795 7.059 5.589 1.00 1.41 H new ATOM 2462 N ASP B 16 10.649 4.426 -0.077 1.00 1.59 N ATOM 2463 CA ASP B 16 11.747 4.074 -0.984 1.00 1.76 C ATOM 2464 C ASP B 16 12.643 5.290 -1.213 1.00 1.96 C ATOM 2465 O ASP B 16 13.876 5.197 -1.197 1.00 2.05 O ATOM 2466 CB ASP B 16 11.192 3.583 -2.328 1.00 2.09 C ATOM 2467 CG ASP B 16 12.255 3.483 -3.411 1.00 2.24 C ATOM 2468 OD1 ASP B 16 13.215 2.690 -3.254 1.00 2.65 O ATOM 2469 OD2 ASP B 16 12.131 4.199 -4.432 1.00 2.32 O ATOM 0 H ASP B 16 9.721 4.234 -0.454 1.00 1.59 H new ATOM 0 HA ASP B 16 12.332 3.274 -0.529 1.00 1.76 H new ATOM 0 HB2 ASP B 16 10.731 2.605 -2.189 1.00 2.09 H new ATOM 0 HB3 ASP B 16 10.406 4.262 -2.660 1.00 2.09 H new ATOM 2474 N GLU B 17 12.005 6.439 -1.397 1.00 2.16 N ATOM 2475 CA GLU B 17 12.716 7.688 -1.613 1.00 2.48 C ATOM 2476 C GLU B 17 13.006 8.331 -0.260 1.00 2.44 C ATOM 2477 O GLU B 17 12.288 9.221 0.201 1.00 2.36 O ATOM 2478 CB GLU B 17 11.900 8.627 -2.512 1.00 2.75 C ATOM 2479 CG GLU B 17 12.534 9.993 -2.718 1.00 3.19 C ATOM 2480 CD GLU B 17 13.873 9.915 -3.418 1.00 3.49 C ATOM 2481 OE1 GLU B 17 13.886 9.759 -4.655 1.00 3.62 O ATOM 2482 OE2 GLU B 17 14.915 10.041 -2.739 1.00 4.01 O ATOM 0 H GLU B 17 10.989 6.529 -1.400 1.00 2.16 H new ATOM 0 HA GLU B 17 13.659 7.491 -2.123 1.00 2.48 H new ATOM 0 HB2 GLU B 17 11.761 8.153 -3.483 1.00 2.75 H new ATOM 0 HB3 GLU B 17 10.909 8.760 -2.077 1.00 2.75 H new ATOM 0 HG2 GLU B 17 11.859 10.618 -3.302 1.00 3.19 H new ATOM 0 HG3 GLU B 17 12.662 10.479 -1.751 1.00 3.19 H new ATOM 2489 N ASP B 18 14.048 7.832 0.379 1.00 2.66 N ATOM 2490 CA ASP B 18 14.456 8.306 1.696 1.00 2.76 C ATOM 2491 C ASP B 18 15.949 8.094 1.886 1.00 3.15 C ATOM 2492 O ASP B 18 16.615 8.821 2.628 1.00 3.44 O ATOM 2493 CB ASP B 18 13.682 7.544 2.777 1.00 2.70 C ATOM 2494 CG ASP B 18 13.938 8.057 4.183 1.00 2.54 C ATOM 2495 OD1 ASP B 18 14.895 7.580 4.828 1.00 2.45 O ATOM 2496 OD2 ASP B 18 13.171 8.930 4.653 1.00 2.74 O ATOM 0 H ASP B 18 14.637 7.088 0.004 1.00 2.66 H new ATOM 0 HA ASP B 18 14.237 9.371 1.777 1.00 2.76 H new ATOM 0 HB2 ASP B 18 12.615 7.611 2.563 1.00 2.70 H new ATOM 0 HB3 ASP B 18 13.951 6.489 2.729 1.00 2.70 H new ATOM 2501 N THR B 19 16.463 7.075 1.213 1.00 3.25 N ATOM 2502 CA THR B 19 17.868 6.738 1.270 1.00 3.64 C ATOM 2503 C THR B 19 18.542 7.086 -0.046 1.00 4.26 C ATOM 2504 O THR B 19 18.877 8.271 -0.244 1.00 4.48 O ATOM 2505 CB THR B 19 18.052 5.239 1.564 1.00 3.58 C ATOM 2506 OG1 THR B 19 16.811 4.542 1.349 1.00 3.24 O ATOM 2507 CG2 THR B 19 18.512 5.035 2.992 1.00 3.63 C ATOM 0 H THR B 19 15.913 6.461 0.613 1.00 3.25 H new ATOM 0 HA THR B 19 18.327 7.314 2.074 1.00 3.64 H new ATOM 0 HB THR B 19 18.810 4.841 0.890 1.00 3.58 H new ATOM 0 HG1 THR B 19 16.935 3.588 1.536 1.00 3.24 H new ATOM 0 HG21 THR B 19 18.638 3.970 3.185 1.00 3.63 H new ATOM 0 HG22 THR B 19 19.463 5.546 3.145 1.00 3.63 H new ATOM 0 HG23 THR B 19 17.767 5.442 3.676 1.00 3.63 H new