USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1059 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 THR OG1 : rot -27:sc= 0.142 USER MOD Set 1.2: A 129 HIS : no HD1:sc= -0.532 X(o=-0.39,f=-0.54) USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= -0.531 USER MOD Set 3.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 134 LYS NZ :NH3+ 161:sc= -0.0603 (180deg=-0.443) USER MOD Set 4.1: A 38 ASN : amide:sc=-0.00244 K(o=-0.037,f=-5!) USER MOD Set 4.2: A 41 ASN :FLIP amide:sc= -0.0347 F(o=-3.3!,f=-0.037) USER MOD Set 5.1: A 19 ASN :FLIP amide:sc= -1.9! C(o=-5!,f=-3.5!) USER MOD Set 5.2: A 102 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 1 PHE N :NH3+ -121:sc=-0.000927 (180deg=-0.748) USER MOD Single : A 2 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.044) USER MOD Single : A 3 LYS NZ :NH3+ 164:sc= -0.0648 (180deg=-0.316) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -0.0529 (180deg=-0.258) USER MOD Single : A 8 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.79) USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= -0.041 (180deg=-0.307) USER MOD Single : A 11 LYS NZ :NH3+ 179:sc= -1.68 (180deg=-1.7) USER MOD Single : A 17 THR OG1 : rot 101:sc= 1.19 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.629 F(o=-4.6!,f=-0.63) USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= -0.0162 (180deg=-0.209) USER MOD Single : A 30 SER OG : rot -140:sc= -0.739 USER MOD Single : A 33 GLN : amide:sc= -3.83! C(o=-3.8!,f=-4.4!) USER MOD Single : A 34 TYR OH : rot -117:sc= 0.685 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= -1.77 (180deg=-1.87) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= -0.0529 (180deg=-0.311) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 63:sc= 0.595 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 26:sc= -0.408 USER MOD Single : A 68 THR OG1 : rot -130:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -0.0526 (180deg=-0.278) USER MOD Single : A 71 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -0.0401 (180deg=-0.308) USER MOD Single : A 78 GLN :FLIP amide:sc= -1.58 F(o=-4.4!,f=-1.6) USER MOD Single : A 80 SER OG : rot -23:sc= 0.795 USER MOD Single : A 81 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.4) USER MOD Single : A 87 THR OG1 : rot -63:sc= 1.27 USER MOD Single : A 91 GLN : amide:sc= -0.392 K(o=-0.39,f=-1.8) USER MOD Single : A 93 MET CE :methyl -108:sc= -1.8 (180deg=-3.26!) USER MOD Single : A 97 SER OG : rot -103:sc= 1.22 USER MOD Single : A 105 SER OG : rot -93:sc= -0.0345 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -3.38 K(o=-3.4,f=-4.4!) USER MOD Single : A 123 THR OG1 : rot -100:sc= -0.0274 USER MOD Single : A 127 LYS NZ :NH3+ 150:sc= -1.87! (180deg=-3.46!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ -164:sc= -0.0572 (180deg=-0.342) USER MOD Single : A 136 SER OG : rot 11:sc= 0.771 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -25.431 9.413 1.985 1.00 1.58 N ATOM 2 CA PHE A 1 -23.990 9.504 2.330 1.00 0.99 C ATOM 3 C PHE A 1 -23.399 8.116 2.560 1.00 0.95 C ATOM 4 O PHE A 1 -22.415 7.737 1.925 1.00 0.87 O ATOM 5 CB PHE A 1 -23.801 10.365 3.581 1.00 1.84 C ATOM 6 CG PHE A 1 -22.361 10.607 3.935 1.00 2.02 C ATOM 7 CD1 PHE A 1 -21.621 11.569 3.265 1.00 1.89 C ATOM 8 CD2 PHE A 1 -21.749 9.874 4.939 1.00 2.67 C ATOM 9 CE1 PHE A 1 -20.297 11.794 3.590 1.00 2.25 C ATOM 10 CE2 PHE A 1 -20.425 10.096 5.267 1.00 3.09 C ATOM 11 CZ PHE A 1 -19.699 11.056 4.593 1.00 2.83 C ATOM 0 H1 PHE A 1 -25.593 9.844 1.052 1.00 1.58 H new ATOM 0 H2 PHE A 1 -25.719 8.414 1.959 1.00 1.58 H new ATOM 0 H3 PHE A 1 -25.992 9.917 2.701 1.00 1.58 H new ATOM 0 HA PHE A 1 -23.467 9.968 1.494 1.00 0.99 H new ATOM 0 HB2 PHE A 1 -24.295 11.325 3.429 1.00 1.84 H new ATOM 0 HB3 PHE A 1 -24.297 9.881 4.423 1.00 1.84 H new ATOM 0 HD1 PHE A 1 -22.084 12.149 2.481 1.00 1.89 H new ATOM 0 HD2 PHE A 1 -22.312 9.121 5.471 1.00 2.67 H new ATOM 0 HE1 PHE A 1 -19.730 12.546 3.061 1.00 2.25 H new ATOM 0 HE2 PHE A 1 -19.959 9.518 6.051 1.00 3.09 H new ATOM 0 HZ PHE A 1 -18.664 11.230 4.849 1.00 2.83 H new ATOM 23 N ASN A 2 -24.007 7.362 3.471 1.00 1.03 N ATOM 24 CA ASN A 2 -23.543 6.014 3.782 1.00 1.03 C ATOM 25 C ASN A 2 -23.819 5.063 2.627 1.00 0.98 C ATOM 26 O ASN A 2 -23.197 4.008 2.527 1.00 0.95 O ATOM 27 CB ASN A 2 -24.214 5.500 5.057 1.00 1.14 C ATOM 28 CG ASN A 2 -25.725 5.457 4.933 1.00 1.25 C ATOM 29 OD1 ASN A 2 -26.296 4.451 4.513 1.00 2.08 O ATOM 30 ND2 ASN A 2 -26.380 6.552 5.299 1.00 1.42 N ATOM 0 H ASN A 2 -24.822 7.661 4.007 1.00 1.03 H new ATOM 0 HA ASN A 2 -22.466 6.057 3.941 1.00 1.03 H new ATOM 0 HB2 ASN A 2 -23.841 4.501 5.284 1.00 1.14 H new ATOM 0 HB3 ASN A 2 -23.938 6.141 5.894 1.00 1.14 H new ATOM 0 HD21 ASN A 2 -27.398 6.582 5.238 1.00 1.42 H new ATOM 0 HD22 ASN A 2 -25.866 7.363 5.642 1.00 1.42 H new ATOM 37 N LYS A 3 -24.755 5.431 1.759 1.00 0.99 N ATOM 38 CA LYS A 3 -25.081 4.599 0.609 1.00 0.99 C ATOM 39 C LYS A 3 -23.830 4.372 -0.229 1.00 0.88 C ATOM 40 O LYS A 3 -23.592 3.273 -0.733 1.00 0.88 O ATOM 41 CB LYS A 3 -26.178 5.249 -0.238 1.00 1.05 C ATOM 42 CG LYS A 3 -25.816 6.635 -0.747 1.00 1.40 C ATOM 43 CD LYS A 3 -26.897 7.193 -1.657 1.00 1.98 C ATOM 44 CE LYS A 3 -26.528 8.571 -2.181 1.00 2.69 C ATOM 45 NZ LYS A 3 -25.251 8.550 -2.946 1.00 3.23 N ATOM 0 H LYS A 3 -25.297 6.292 1.829 1.00 0.99 H new ATOM 0 HA LYS A 3 -25.454 3.639 0.965 1.00 0.99 H new ATOM 0 HB2 LYS A 3 -26.397 4.605 -1.089 1.00 1.05 H new ATOM 0 HB3 LYS A 3 -27.091 5.316 0.354 1.00 1.05 H new ATOM 0 HG2 LYS A 3 -25.668 7.307 0.098 1.00 1.40 H new ATOM 0 HG3 LYS A 3 -24.871 6.590 -1.288 1.00 1.40 H new ATOM 0 HD2 LYS A 3 -27.055 6.514 -2.495 1.00 1.98 H new ATOM 0 HD3 LYS A 3 -27.839 7.250 -1.112 1.00 1.98 H new ATOM 0 HE2 LYS A 3 -27.328 8.942 -2.821 1.00 2.69 H new ATOM 0 HE3 LYS A 3 -26.439 9.265 -1.346 1.00 2.69 H new ATOM 0 HZ1 LYS A 3 -25.168 9.421 -3.508 1.00 3.23 H new ATOM 0 HZ2 LYS A 3 -24.451 8.487 -2.284 1.00 3.23 H new ATOM 0 HZ3 LYS A 3 -25.240 7.727 -3.581 1.00 3.23 H new ATOM 59 N LYS A 4 -23.028 5.423 -0.363 1.00 0.82 N ATOM 60 CA LYS A 4 -21.788 5.351 -1.122 1.00 0.74 C ATOM 61 C LYS A 4 -20.696 4.694 -0.286 1.00 0.69 C ATOM 62 O LYS A 4 -19.860 3.959 -0.809 1.00 0.64 O ATOM 63 CB LYS A 4 -21.350 6.749 -1.561 1.00 0.74 C ATOM 64 CG LYS A 4 -20.065 6.758 -2.377 1.00 1.23 C ATOM 65 CD LYS A 4 -19.724 8.155 -2.877 1.00 1.54 C ATOM 66 CE LYS A 4 -19.439 9.112 -1.728 1.00 2.11 C ATOM 67 NZ LYS A 4 -18.290 8.658 -0.896 1.00 2.63 N ATOM 0 H LYS A 4 -23.217 6.338 0.047 1.00 0.82 H new ATOM 0 HA LYS A 4 -21.960 4.746 -2.012 1.00 0.74 H new ATOM 0 HB2 LYS A 4 -22.147 7.202 -2.150 1.00 0.74 H new ATOM 0 HB3 LYS A 4 -21.213 7.372 -0.677 1.00 0.74 H new ATOM 0 HG2 LYS A 4 -19.244 6.380 -1.767 1.00 1.23 H new ATOM 0 HG3 LYS A 4 -20.169 6.083 -3.226 1.00 1.23 H new ATOM 0 HD2 LYS A 4 -18.854 8.104 -3.532 1.00 1.54 H new ATOM 0 HD3 LYS A 4 -20.551 8.540 -3.474 1.00 1.54 H new ATOM 0 HE2 LYS A 4 -19.228 10.104 -2.126 1.00 2.11 H new ATOM 0 HE3 LYS A 4 -20.327 9.202 -1.102 1.00 2.11 H new ATOM 0 HZ1 LYS A 4 -17.989 9.431 -0.269 1.00 2.63 H new ATOM 0 HZ2 LYS A 4 -18.578 7.840 -0.323 1.00 2.63 H new ATOM 0 HZ3 LYS A 4 -17.499 8.386 -1.515 1.00 2.63 H new ATOM 81 N ALA A 5 -20.709 4.971 1.018 1.00 0.73 N ATOM 82 CA ALA A 5 -19.727 4.394 1.929 1.00 0.73 C ATOM 83 C ALA A 5 -19.784 2.873 1.867 1.00 0.71 C ATOM 84 O ALA A 5 -18.765 2.208 1.672 1.00 0.64 O ATOM 85 CB ALA A 5 -19.965 4.883 3.350 1.00 0.82 C ATOM 0 H ALA A 5 -21.387 5.589 1.464 1.00 0.73 H new ATOM 0 HA ALA A 5 -18.733 4.717 1.621 1.00 0.73 H new ATOM 0 HB1 ALA A 5 -19.223 4.442 4.016 1.00 0.82 H new ATOM 0 HB2 ALA A 5 -19.880 5.969 3.380 1.00 0.82 H new ATOM 0 HB3 ALA A 5 -20.963 4.588 3.674 1.00 0.82 H new ATOM 91 N ASP A 6 -20.985 2.331 2.033 1.00 0.80 N ATOM 92 CA ASP A 6 -21.184 0.890 1.974 1.00 0.81 C ATOM 93 C ASP A 6 -20.917 0.387 0.564 1.00 0.75 C ATOM 94 O ASP A 6 -20.419 -0.723 0.375 1.00 0.74 O ATOM 95 CB ASP A 6 -22.604 0.522 2.408 1.00 0.90 C ATOM 96 CG ASP A 6 -22.866 0.842 3.866 1.00 1.65 C ATOM 97 OD1 ASP A 6 -22.427 0.058 4.733 1.00 1.58 O ATOM 98 OD2 ASP A 6 -23.511 1.876 4.140 1.00 2.57 O ATOM 0 H ASP A 6 -21.834 2.868 2.209 1.00 0.80 H new ATOM 0 HA ASP A 6 -20.483 0.414 2.660 1.00 0.81 H new ATOM 0 HB2 ASP A 6 -23.321 1.059 1.787 1.00 0.90 H new ATOM 0 HB3 ASP A 6 -22.768 -0.542 2.238 1.00 0.90 H new ATOM 103 N GLU A 7 -21.258 1.211 -0.424 1.00 0.74 N ATOM 104 CA GLU A 7 -21.023 0.859 -1.817 1.00 0.71 C ATOM 105 C GLU A 7 -19.547 0.542 -2.008 1.00 0.63 C ATOM 106 O GLU A 7 -19.171 -0.295 -2.831 1.00 0.59 O ATOM 107 CB GLU A 7 -21.443 2.006 -2.738 1.00 0.72 C ATOM 108 CG GLU A 7 -21.259 1.701 -4.216 1.00 1.31 C ATOM 109 CD GLU A 7 -21.658 2.864 -5.102 1.00 1.58 C ATOM 110 OE1 GLU A 7 -22.865 3.004 -5.388 1.00 2.10 O ATOM 111 OE2 GLU A 7 -20.764 3.633 -5.510 1.00 1.91 O ATOM 0 H GLU A 7 -21.696 2.122 -0.284 1.00 0.74 H new ATOM 0 HA GLU A 7 -21.620 -0.016 -2.073 1.00 0.71 H new ATOM 0 HB2 GLU A 7 -22.490 2.244 -2.553 1.00 0.72 H new ATOM 0 HB3 GLU A 7 -20.864 2.894 -2.485 1.00 0.72 H new ATOM 0 HG2 GLU A 7 -20.216 1.446 -4.404 1.00 1.31 H new ATOM 0 HG3 GLU A 7 -21.854 0.826 -4.480 1.00 1.31 H new ATOM 118 N ASN A 8 -18.715 1.233 -1.235 1.00 0.61 N ATOM 119 CA ASN A 8 -17.277 1.036 -1.288 1.00 0.54 C ATOM 120 C ASN A 8 -16.889 -0.256 -0.581 1.00 0.48 C ATOM 121 O ASN A 8 -15.994 -0.974 -1.024 1.00 0.39 O ATOM 122 CB ASN A 8 -16.556 2.214 -0.635 1.00 0.62 C ATOM 123 CG ASN A 8 -17.004 3.549 -1.193 1.00 0.62 C ATOM 124 OD1 ASN A 8 -17.378 3.655 -2.362 1.00 1.40 O ATOM 125 ND2 ASN A 8 -16.969 4.578 -0.354 1.00 0.55 N ATOM 0 H ASN A 8 -19.018 1.937 -0.562 1.00 0.61 H new ATOM 0 HA ASN A 8 -16.980 0.970 -2.335 1.00 0.54 H new ATOM 0 HB2 ASN A 8 -16.735 2.195 0.440 1.00 0.62 H new ATOM 0 HB3 ASN A 8 -15.481 2.105 -0.781 1.00 0.62 H new ATOM 0 HD21 ASN A 8 -17.259 5.503 -0.670 1.00 0.55 H new ATOM 0 HD22 ASN A 8 -16.652 4.443 0.606 1.00 0.55 H new ATOM 132 N LYS A 9 -17.568 -0.538 0.525 1.00 0.57 N ATOM 133 CA LYS A 9 -17.302 -1.742 1.306 1.00 0.57 C ATOM 134 C LYS A 9 -17.436 -3.005 0.455 1.00 0.48 C ATOM 135 O LYS A 9 -16.650 -3.941 0.596 1.00 0.44 O ATOM 136 CB LYS A 9 -18.267 -1.823 2.491 1.00 0.72 C ATOM 137 CG LYS A 9 -18.070 -3.054 3.362 1.00 0.86 C ATOM 138 CD LYS A 9 -16.740 -3.017 4.097 1.00 1.55 C ATOM 139 CE LYS A 9 -16.533 -4.265 4.941 1.00 1.84 C ATOM 140 NZ LYS A 9 -17.645 -4.471 5.908 1.00 2.67 N ATOM 0 H LYS A 9 -18.309 0.052 0.903 1.00 0.57 H new ATOM 0 HA LYS A 9 -16.276 -1.680 1.668 1.00 0.57 H new ATOM 0 HB2 LYS A 9 -18.147 -0.931 3.106 1.00 0.72 H new ATOM 0 HB3 LYS A 9 -19.290 -1.816 2.115 1.00 0.72 H new ATOM 0 HG2 LYS A 9 -18.883 -3.122 4.085 1.00 0.86 H new ATOM 0 HG3 LYS A 9 -18.118 -3.949 2.742 1.00 0.86 H new ATOM 0 HD2 LYS A 9 -15.928 -2.925 3.376 1.00 1.55 H new ATOM 0 HD3 LYS A 9 -16.701 -2.134 4.735 1.00 1.55 H new ATOM 0 HE2 LYS A 9 -16.453 -5.135 4.289 1.00 1.84 H new ATOM 0 HE3 LYS A 9 -15.591 -4.185 5.483 1.00 1.84 H new ATOM 0 HZ1 LYS A 9 -17.363 -5.179 6.616 1.00 2.67 H new ATOM 0 HZ2 LYS A 9 -17.862 -3.572 6.384 1.00 2.67 H new ATOM 0 HZ3 LYS A 9 -18.489 -4.806 5.401 1.00 2.67 H new ATOM 154 N VAL A 10 -18.435 -3.027 -0.424 1.00 0.48 N ATOM 155 CA VAL A 10 -18.676 -4.187 -1.276 1.00 0.44 C ATOM 156 C VAL A 10 -17.715 -4.254 -2.463 1.00 0.39 C ATOM 157 O VAL A 10 -17.133 -5.305 -2.734 1.00 0.37 O ATOM 158 CB VAL A 10 -20.128 -4.215 -1.795 1.00 0.51 C ATOM 159 CG1 VAL A 10 -21.092 -4.509 -0.657 1.00 1.27 C ATOM 160 CG2 VAL A 10 -20.486 -2.904 -2.476 1.00 1.15 C ATOM 0 H VAL A 10 -19.089 -2.257 -0.564 1.00 0.48 H new ATOM 0 HA VAL A 10 -18.500 -5.059 -0.646 1.00 0.44 H new ATOM 0 HB VAL A 10 -20.211 -5.012 -2.534 1.00 0.51 H new ATOM 0 HG11 VAL A 10 -22.112 -4.525 -1.040 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -20.853 -5.478 -0.219 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -21.003 -3.735 0.105 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -21.515 -2.949 -2.833 1.00 1.15 H new ATOM 0 HG22 VAL A 10 -20.384 -2.085 -1.764 1.00 1.15 H new ATOM 0 HG23 VAL A 10 -19.816 -2.737 -3.319 1.00 1.15 H new ATOM 170 N LYS A 11 -17.547 -3.139 -3.169 1.00 0.38 N ATOM 171 CA LYS A 11 -16.663 -3.104 -4.333 1.00 0.37 C ATOM 172 C LYS A 11 -15.209 -3.374 -3.944 1.00 0.31 C ATOM 173 O LYS A 11 -14.459 -3.982 -4.708 1.00 0.30 O ATOM 174 CB LYS A 11 -16.776 -1.757 -5.054 1.00 0.40 C ATOM 175 CG LYS A 11 -16.280 -0.578 -4.235 1.00 0.39 C ATOM 176 CD LYS A 11 -16.559 0.746 -4.933 1.00 0.46 C ATOM 177 CE LYS A 11 -15.794 0.864 -6.243 1.00 1.37 C ATOM 178 NZ LYS A 11 -16.069 2.155 -6.933 1.00 1.69 N ATOM 0 H LYS A 11 -18.007 -2.253 -2.959 1.00 0.38 H new ATOM 0 HA LYS A 11 -16.981 -3.897 -5.010 1.00 0.37 H new ATOM 0 HB2 LYS A 11 -16.209 -1.805 -5.984 1.00 0.40 H new ATOM 0 HB3 LYS A 11 -17.818 -1.587 -5.324 1.00 0.40 H new ATOM 0 HG2 LYS A 11 -16.763 -0.584 -3.258 1.00 0.39 H new ATOM 0 HG3 LYS A 11 -15.209 -0.680 -4.061 1.00 0.39 H new ATOM 0 HD2 LYS A 11 -17.628 0.837 -5.126 1.00 0.46 H new ATOM 0 HD3 LYS A 11 -16.283 1.570 -4.275 1.00 0.46 H new ATOM 0 HE2 LYS A 11 -14.725 0.777 -6.048 1.00 1.37 H new ATOM 0 HE3 LYS A 11 -16.067 0.037 -6.898 1.00 1.37 H new ATOM 0 HZ1 LYS A 11 -15.516 2.203 -7.812 1.00 1.69 H new ATOM 0 HZ2 LYS A 11 -17.082 2.220 -7.157 1.00 1.69 H new ATOM 0 HZ3 LYS A 11 -15.801 2.945 -6.312 1.00 1.69 H new ATOM 192 N GLY A 12 -14.817 -2.922 -2.756 1.00 0.31 N ATOM 193 CA GLY A 12 -13.455 -3.129 -2.295 1.00 0.29 C ATOM 194 C GLY A 12 -13.217 -4.544 -1.810 1.00 0.27 C ATOM 195 O GLY A 12 -12.283 -5.210 -2.256 1.00 0.28 O ATOM 0 H GLY A 12 -15.418 -2.416 -2.105 1.00 0.31 H new ATOM 0 HA2 GLY A 12 -12.762 -2.905 -3.106 1.00 0.29 H new ATOM 0 HA3 GLY A 12 -13.238 -2.430 -1.487 1.00 0.29 H new ATOM 199 N GLU A 13 -14.064 -5.005 -0.893 1.00 0.26 N ATOM 200 CA GLU A 13 -13.944 -6.353 -0.353 1.00 0.26 C ATOM 201 C GLU A 13 -14.012 -7.381 -1.475 1.00 0.23 C ATOM 202 O GLU A 13 -13.472 -8.480 -1.360 1.00 0.23 O ATOM 203 CB GLU A 13 -15.049 -6.623 0.669 1.00 0.30 C ATOM 204 CG GLU A 13 -14.911 -7.963 1.373 1.00 1.16 C ATOM 205 CD GLU A 13 -16.000 -8.197 2.403 1.00 1.67 C ATOM 206 OE1 GLU A 13 -15.824 -7.765 3.561 1.00 1.95 O ATOM 207 OE2 GLU A 13 -17.027 -8.814 2.051 1.00 2.39 O ATOM 0 H GLU A 13 -14.839 -4.464 -0.510 1.00 0.26 H new ATOM 0 HA GLU A 13 -12.978 -6.437 0.146 1.00 0.26 H new ATOM 0 HB2 GLU A 13 -15.045 -5.828 1.415 1.00 0.30 H new ATOM 0 HB3 GLU A 13 -16.015 -6.584 0.166 1.00 0.30 H new ATOM 0 HG2 GLU A 13 -14.939 -8.763 0.633 1.00 1.16 H new ATOM 0 HG3 GLU A 13 -13.938 -8.014 1.861 1.00 1.16 H new ATOM 214 N ALA A 14 -14.675 -7.007 -2.562 1.00 0.22 N ATOM 215 CA ALA A 14 -14.815 -7.889 -3.713 1.00 0.21 C ATOM 216 C ALA A 14 -13.536 -7.900 -4.535 1.00 0.19 C ATOM 217 O ALA A 14 -13.108 -8.947 -5.018 1.00 0.23 O ATOM 218 CB ALA A 14 -15.996 -7.462 -4.570 1.00 0.23 C ATOM 0 H ALA A 14 -15.125 -6.098 -2.670 1.00 0.22 H new ATOM 0 HA ALA A 14 -15.000 -8.901 -3.351 1.00 0.21 H new ATOM 0 HB1 ALA A 14 -16.086 -8.132 -5.425 1.00 0.23 H new ATOM 0 HB2 ALA A 14 -16.910 -7.505 -3.978 1.00 0.23 H new ATOM 0 HB3 ALA A 14 -15.840 -6.442 -4.922 1.00 0.23 H new ATOM 224 N PHE A 15 -12.933 -6.725 -4.694 1.00 0.19 N ATOM 225 CA PHE A 15 -11.694 -6.608 -5.447 1.00 0.17 C ATOM 226 C PHE A 15 -10.614 -7.487 -4.827 1.00 0.15 C ATOM 227 O PHE A 15 -9.945 -8.246 -5.526 1.00 0.15 O ATOM 228 CB PHE A 15 -11.226 -5.149 -5.495 1.00 0.20 C ATOM 229 CG PHE A 15 -9.733 -4.997 -5.607 1.00 0.19 C ATOM 230 CD1 PHE A 15 -9.054 -5.468 -6.721 1.00 0.20 C ATOM 231 CD2 PHE A 15 -9.010 -4.391 -4.593 1.00 0.22 C ATOM 232 CE1 PHE A 15 -7.681 -5.337 -6.818 1.00 0.22 C ATOM 233 CE2 PHE A 15 -7.637 -4.259 -4.684 1.00 0.23 C ATOM 234 CZ PHE A 15 -6.973 -4.733 -5.798 1.00 0.21 C ATOM 0 H PHE A 15 -13.282 -5.846 -4.312 1.00 0.19 H new ATOM 0 HA PHE A 15 -11.879 -6.945 -6.467 1.00 0.17 H new ATOM 0 HB2 PHE A 15 -11.698 -4.653 -6.343 1.00 0.20 H new ATOM 0 HB3 PHE A 15 -11.568 -4.637 -4.596 1.00 0.20 H new ATOM 0 HD1 PHE A 15 -9.603 -5.942 -7.521 1.00 0.20 H new ATOM 0 HD2 PHE A 15 -9.525 -4.017 -3.721 1.00 0.22 H new ATOM 0 HE1 PHE A 15 -7.163 -5.707 -7.691 1.00 0.22 H new ATOM 0 HE2 PHE A 15 -7.085 -3.786 -3.885 1.00 0.23 H new ATOM 0 HZ PHE A 15 -5.900 -4.631 -5.871 1.00 0.21 H new ATOM 244 N LEU A 16 -10.448 -7.378 -3.513 1.00 0.16 N ATOM 245 CA LEU A 16 -9.446 -8.168 -2.811 1.00 0.18 C ATOM 246 C LEU A 16 -9.808 -9.649 -2.842 1.00 0.18 C ATOM 247 O LEU A 16 -8.931 -10.510 -2.912 1.00 0.19 O ATOM 248 CB LEU A 16 -9.285 -7.679 -1.370 1.00 0.24 C ATOM 249 CG LEU A 16 -10.495 -7.883 -0.454 1.00 0.40 C ATOM 250 CD1 LEU A 16 -10.467 -9.264 0.186 1.00 0.53 C ATOM 251 CD2 LEU A 16 -10.535 -6.804 0.616 1.00 0.55 C ATOM 0 H LEU A 16 -10.991 -6.754 -2.917 1.00 0.16 H new ATOM 0 HA LEU A 16 -8.492 -8.041 -3.322 1.00 0.18 H new ATOM 0 HB2 LEU A 16 -8.429 -8.189 -0.928 1.00 0.24 H new ATOM 0 HB3 LEU A 16 -9.046 -6.616 -1.392 1.00 0.24 H new ATOM 0 HG LEU A 16 -11.397 -7.809 -1.061 1.00 0.40 H new ATOM 0 HD11 LEU A 16 -11.337 -9.383 0.832 1.00 0.53 H new ATOM 0 HD12 LEU A 16 -10.486 -10.026 -0.593 1.00 0.53 H new ATOM 0 HD13 LEU A 16 -9.558 -9.372 0.778 1.00 0.53 H new ATOM 0 HD21 LEU A 16 -11.400 -6.962 1.260 1.00 0.55 H new ATOM 0 HD22 LEU A 16 -9.625 -6.851 1.214 1.00 0.55 H new ATOM 0 HD23 LEU A 16 -10.609 -5.825 0.143 1.00 0.55 H new ATOM 263 N THR A 17 -11.107 -9.939 -2.792 1.00 0.19 N ATOM 264 CA THR A 17 -11.578 -11.317 -2.826 1.00 0.20 C ATOM 265 C THR A 17 -11.084 -12.011 -4.089 1.00 0.21 C ATOM 266 O THR A 17 -10.532 -13.111 -4.034 1.00 0.22 O ATOM 267 CB THR A 17 -13.119 -11.390 -2.765 1.00 0.22 C ATOM 268 OG1 THR A 17 -13.575 -11.019 -1.459 1.00 0.24 O ATOM 269 CG2 THR A 17 -13.618 -12.790 -3.097 1.00 0.27 C ATOM 0 H THR A 17 -11.847 -9.240 -2.728 1.00 0.19 H new ATOM 0 HA THR A 17 -11.177 -11.824 -1.949 1.00 0.20 H new ATOM 0 HB THR A 17 -13.517 -10.696 -3.505 1.00 0.22 H new ATOM 0 HG1 THR A 17 -13.901 -10.095 -1.477 1.00 0.24 H new ATOM 0 HG21 THR A 17 -14.707 -12.810 -3.046 1.00 0.27 H new ATOM 0 HG22 THR A 17 -13.297 -13.062 -4.103 1.00 0.27 H new ATOM 0 HG23 THR A 17 -13.208 -13.502 -2.381 1.00 0.27 H new ATOM 277 N GLU A 18 -11.288 -11.357 -5.227 1.00 0.21 N ATOM 278 CA GLU A 18 -10.852 -11.894 -6.509 1.00 0.22 C ATOM 279 C GLU A 18 -9.338 -11.778 -6.637 1.00 0.21 C ATOM 280 O GLU A 18 -8.687 -12.606 -7.274 1.00 0.24 O ATOM 281 CB GLU A 18 -11.537 -11.156 -7.660 1.00 0.23 C ATOM 282 CG GLU A 18 -13.051 -11.285 -7.652 1.00 1.25 C ATOM 283 CD GLU A 18 -13.516 -12.718 -7.826 1.00 1.71 C ATOM 284 OE1 GLU A 18 -13.660 -13.423 -6.807 1.00 2.47 O ATOM 285 OE2 GLU A 18 -13.736 -13.133 -8.983 1.00 2.02 O ATOM 0 H GLU A 18 -11.754 -10.452 -5.287 1.00 0.21 H new ATOM 0 HA GLU A 18 -11.132 -12.946 -6.558 1.00 0.22 H new ATOM 0 HB2 GLU A 18 -11.271 -10.100 -7.613 1.00 0.23 H new ATOM 0 HB3 GLU A 18 -11.153 -11.539 -8.605 1.00 0.23 H new ATOM 0 HG2 GLU A 18 -13.440 -10.892 -6.713 1.00 1.25 H new ATOM 0 HG3 GLU A 18 -13.468 -10.672 -8.451 1.00 1.25 H new ATOM 292 N ASN A 19 -8.791 -10.731 -6.026 1.00 0.19 N ATOM 293 CA ASN A 19 -7.356 -10.475 -6.054 1.00 0.19 C ATOM 294 C ASN A 19 -6.562 -11.684 -5.567 1.00 0.21 C ATOM 295 O ASN A 19 -5.445 -11.925 -6.020 1.00 0.22 O ATOM 296 CB ASN A 19 -7.021 -9.265 -5.179 1.00 0.17 C ATOM 297 CG ASN A 19 -5.592 -9.308 -4.689 1.00 0.16 C ATOM 298 OD1 ASN A 19 -5.353 -10.100 -3.651 1.00 0.22 O flip ATOM 299 ND2 ASN A 19 -4.714 -8.649 -5.244 1.00 0.18 N flip ATOM 0 H ASN A 19 -9.327 -10.040 -5.501 1.00 0.19 H new ATOM 0 HA ASN A 19 -7.077 -10.274 -7.088 1.00 0.19 H new ATOM 0 HB2 ASN A 19 -7.184 -8.349 -5.747 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -7.698 -9.235 -4.325 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -4.948 -8.054 -6.039 1.00 0.18 H new ATOM 0 HD22 ASN A 19 -3.752 -8.697 -4.909 1.00 0.18 H new ATOM 306 N LYS A 20 -7.140 -12.420 -4.623 1.00 0.23 N ATOM 307 CA LYS A 20 -6.503 -13.607 -4.052 1.00 0.26 C ATOM 308 C LYS A 20 -5.921 -14.524 -5.129 1.00 0.27 C ATOM 309 O LYS A 20 -5.057 -15.353 -4.845 1.00 0.29 O ATOM 310 CB LYS A 20 -7.510 -14.379 -3.201 1.00 0.29 C ATOM 311 CG LYS A 20 -7.980 -13.613 -1.978 1.00 1.04 C ATOM 312 CD LYS A 20 -9.144 -14.313 -1.299 1.00 1.41 C ATOM 313 CE LYS A 20 -9.528 -13.626 0.002 1.00 1.75 C ATOM 314 NZ LYS A 20 -10.628 -14.343 0.705 1.00 2.45 N ATOM 0 H LYS A 20 -8.059 -12.214 -4.232 1.00 0.23 H new ATOM 0 HA LYS A 20 -5.676 -13.267 -3.429 1.00 0.26 H new ATOM 0 HB2 LYS A 20 -8.374 -14.633 -3.815 1.00 0.29 H new ATOM 0 HB3 LYS A 20 -7.059 -15.318 -2.881 1.00 0.29 H new ATOM 0 HG2 LYS A 20 -7.155 -13.508 -1.273 1.00 1.04 H new ATOM 0 HG3 LYS A 20 -8.279 -12.606 -2.270 1.00 1.04 H new ATOM 0 HD2 LYS A 20 -10.002 -14.328 -1.971 1.00 1.41 H new ATOM 0 HD3 LYS A 20 -8.878 -15.351 -1.098 1.00 1.41 H new ATOM 0 HE2 LYS A 20 -8.656 -13.570 0.654 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -9.837 -12.602 -0.206 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -10.860 -13.843 1.587 1.00 2.45 H new ATOM 0 HZ2 LYS A 20 -11.468 -14.375 0.093 1.00 2.45 H new ATOM 0 HZ3 LYS A 20 -10.324 -15.313 0.926 1.00 2.45 H new ATOM 328 N ASN A 21 -6.396 -14.372 -6.362 1.00 0.27 N ATOM 329 CA ASN A 21 -5.936 -15.207 -7.466 1.00 0.30 C ATOM 330 C ASN A 21 -4.478 -14.917 -7.821 1.00 0.28 C ATOM 331 O ASN A 21 -3.742 -15.817 -8.226 1.00 0.31 O ATOM 332 CB ASN A 21 -6.824 -14.996 -8.691 1.00 0.33 C ATOM 333 CG ASN A 21 -8.234 -15.504 -8.464 1.00 0.35 C ATOM 334 OD1 ASN A 21 -8.735 -15.332 -7.246 1.00 0.40 O flip ATOM 335 ND2 ASN A 21 -8.869 -16.036 -9.375 1.00 0.34 N flip ATOM 0 H ASN A 21 -7.098 -13.679 -6.621 1.00 0.27 H new ATOM 0 HA ASN A 21 -6.002 -16.247 -7.146 1.00 0.30 H new ATOM 0 HB2 ASN A 21 -6.856 -13.935 -8.937 1.00 0.33 H new ATOM 0 HB3 ASN A 21 -6.387 -15.509 -9.548 1.00 0.33 H new ATOM 0 HD21 ASN A 21 -8.444 -16.147 -10.296 1.00 0.34 H new ATOM 0 HD22 ASN A 21 -9.820 -16.365 -9.209 1.00 0.34 H new ATOM 342 N LYS A 22 -4.068 -13.660 -7.671 1.00 0.25 N ATOM 343 CA LYS A 22 -2.693 -13.260 -7.967 1.00 0.24 C ATOM 344 C LYS A 22 -1.702 -14.166 -7.235 1.00 0.24 C ATOM 345 O LYS A 22 -1.710 -14.232 -6.010 1.00 0.23 O ATOM 346 CB LYS A 22 -2.468 -11.807 -7.549 1.00 0.26 C ATOM 347 CG LYS A 22 -3.354 -10.817 -8.285 1.00 0.41 C ATOM 348 CD LYS A 22 -3.106 -9.394 -7.813 1.00 1.16 C ATOM 349 CE LYS A 22 -3.992 -8.399 -8.544 1.00 1.03 C ATOM 350 NZ LYS A 22 -3.730 -8.392 -10.010 1.00 1.40 N ATOM 0 H LYS A 22 -4.667 -12.901 -7.347 1.00 0.25 H new ATOM 0 HA LYS A 22 -2.530 -13.355 -9.041 1.00 0.24 H new ATOM 0 HB2 LYS A 22 -2.646 -11.714 -6.478 1.00 0.26 H new ATOM 0 HB3 LYS A 22 -1.424 -11.546 -7.722 1.00 0.26 H new ATOM 0 HG2 LYS A 22 -3.166 -10.885 -9.357 1.00 0.41 H new ATOM 0 HG3 LYS A 22 -4.401 -11.077 -8.128 1.00 0.41 H new ATOM 0 HD2 LYS A 22 -3.292 -9.328 -6.741 1.00 1.16 H new ATOM 0 HD3 LYS A 22 -2.059 -9.135 -7.972 1.00 1.16 H new ATOM 0 HE2 LYS A 22 -5.039 -8.645 -8.364 1.00 1.03 H new ATOM 0 HE3 LYS A 22 -3.825 -7.400 -8.141 1.00 1.03 H new ATOM 0 HZ1 LYS A 22 -4.199 -7.570 -10.442 1.00 1.40 H new ATOM 0 HZ2 LYS A 22 -2.705 -8.335 -10.179 1.00 1.40 H new ATOM 0 HZ3 LYS A 22 -4.103 -9.266 -10.433 1.00 1.40 H new ATOM 364 N PRO A 23 -0.840 -14.890 -7.973 1.00 0.29 N ATOM 365 CA PRO A 23 0.152 -15.783 -7.365 1.00 0.33 C ATOM 366 C PRO A 23 1.079 -15.046 -6.403 1.00 0.33 C ATOM 367 O PRO A 23 1.407 -13.879 -6.614 1.00 0.34 O ATOM 368 CB PRO A 23 0.943 -16.325 -8.564 1.00 0.42 C ATOM 369 CG PRO A 23 0.643 -15.392 -9.687 1.00 0.65 C ATOM 370 CD PRO A 23 -0.751 -14.894 -9.442 1.00 0.35 C ATOM 0 HA PRO A 23 -0.320 -16.564 -6.768 1.00 0.33 H new ATOM 0 HB2 PRO A 23 2.011 -16.353 -8.350 1.00 0.42 H new ATOM 0 HB3 PRO A 23 0.640 -17.343 -8.807 1.00 0.42 H new ATOM 0 HG2 PRO A 23 1.355 -14.567 -9.711 1.00 0.65 H new ATOM 0 HG3 PRO A 23 0.713 -15.901 -10.648 1.00 0.65 H new ATOM 0 HD2 PRO A 23 -0.905 -13.899 -9.860 1.00 0.35 H new ATOM 0 HD3 PRO A 23 -1.499 -15.547 -9.891 1.00 0.35 H new ATOM 378 N GLY A 24 1.500 -15.735 -5.346 1.00 0.34 N ATOM 379 CA GLY A 24 2.401 -15.137 -4.378 1.00 0.37 C ATOM 380 C GLY A 24 1.700 -14.384 -3.257 1.00 0.33 C ATOM 381 O GLY A 24 2.364 -13.785 -2.411 1.00 0.36 O ATOM 0 H GLY A 24 1.232 -16.698 -5.143 1.00 0.34 H new ATOM 0 HA2 GLY A 24 3.021 -15.921 -3.942 1.00 0.37 H new ATOM 0 HA3 GLY A 24 3.072 -14.452 -4.897 1.00 0.37 H new ATOM 385 N VAL A 25 0.367 -14.403 -3.238 1.00 0.29 N ATOM 386 CA VAL A 25 -0.376 -13.715 -2.183 1.00 0.29 C ATOM 387 C VAL A 25 0.051 -14.226 -0.811 1.00 0.26 C ATOM 388 O VAL A 25 -0.229 -15.369 -0.446 1.00 0.31 O ATOM 389 CB VAL A 25 -1.904 -13.877 -2.340 1.00 0.35 C ATOM 390 CG1 VAL A 25 -2.628 -13.472 -1.063 1.00 0.91 C ATOM 391 CG2 VAL A 25 -2.406 -13.048 -3.510 1.00 0.81 C ATOM 0 H VAL A 25 -0.212 -14.879 -3.929 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.142 -12.654 -2.272 1.00 0.29 H new ATOM 0 HB VAL A 25 -2.114 -14.929 -2.535 1.00 0.35 H new ATOM 0 HG11 VAL A 25 -3.702 -13.595 -1.199 1.00 0.91 H new ATOM 0 HG12 VAL A 25 -2.292 -14.102 -0.239 1.00 0.91 H new ATOM 0 HG13 VAL A 25 -2.408 -12.429 -0.835 1.00 0.91 H new ATOM 0 HG21 VAL A 25 -3.484 -13.173 -3.608 1.00 0.81 H new ATOM 0 HG22 VAL A 25 -2.176 -11.997 -3.336 1.00 0.81 H new ATOM 0 HG23 VAL A 25 -1.918 -13.379 -4.427 1.00 0.81 H new ATOM 401 N VAL A 26 0.733 -13.370 -0.060 1.00 0.24 N ATOM 402 CA VAL A 26 1.214 -13.728 1.267 1.00 0.27 C ATOM 403 C VAL A 26 0.748 -12.718 2.312 1.00 0.25 C ATOM 404 O VAL A 26 0.940 -11.513 2.156 1.00 0.25 O ATOM 405 CB VAL A 26 2.753 -13.814 1.292 1.00 0.31 C ATOM 406 CG1 VAL A 26 3.370 -12.519 0.791 1.00 0.77 C ATOM 407 CG2 VAL A 26 3.254 -14.145 2.690 1.00 1.03 C ATOM 0 H VAL A 26 0.966 -12.420 -0.349 1.00 0.24 H new ATOM 0 HA VAL A 26 0.798 -14.706 1.509 1.00 0.27 H new ATOM 0 HB VAL A 26 3.060 -14.619 0.624 1.00 0.31 H new ATOM 0 HG11 VAL A 26 4.457 -12.600 0.816 1.00 0.77 H new ATOM 0 HG12 VAL A 26 3.044 -12.333 -0.232 1.00 0.77 H new ATOM 0 HG13 VAL A 26 3.053 -11.694 1.429 1.00 0.77 H new ATOM 0 HG21 VAL A 26 4.343 -14.200 2.683 1.00 1.03 H new ATOM 0 HG22 VAL A 26 2.935 -13.368 3.384 1.00 1.03 H new ATOM 0 HG23 VAL A 26 2.844 -15.104 3.006 1.00 1.03 H new ATOM 417 N VAL A 27 0.131 -13.221 3.376 1.00 0.29 N ATOM 418 CA VAL A 27 -0.358 -12.362 4.446 1.00 0.29 C ATOM 419 C VAL A 27 0.760 -12.021 5.429 1.00 0.31 C ATOM 420 O VAL A 27 1.616 -12.855 5.725 1.00 0.35 O ATOM 421 CB VAL A 27 -1.524 -13.020 5.212 1.00 0.35 C ATOM 422 CG1 VAL A 27 -1.109 -14.380 5.753 1.00 0.71 C ATOM 423 CG2 VAL A 27 -2.007 -12.117 6.337 1.00 0.91 C ATOM 0 H VAL A 27 -0.041 -14.216 3.519 1.00 0.29 H new ATOM 0 HA VAL A 27 -0.718 -11.446 3.977 1.00 0.29 H new ATOM 0 HB VAL A 27 -2.350 -13.167 4.517 1.00 0.35 H new ATOM 0 HG11 VAL A 27 -1.945 -14.828 6.290 1.00 0.71 H new ATOM 0 HG12 VAL A 27 -0.820 -15.028 4.926 1.00 0.71 H new ATOM 0 HG13 VAL A 27 -0.264 -14.259 6.431 1.00 0.71 H new ATOM 0 HG21 VAL A 27 -2.830 -12.601 6.864 1.00 0.91 H new ATOM 0 HG22 VAL A 27 -1.188 -11.933 7.033 1.00 0.91 H new ATOM 0 HG23 VAL A 27 -2.350 -11.169 5.921 1.00 0.91 H new ATOM 433 N LEU A 28 0.742 -10.791 5.931 1.00 0.32 N ATOM 434 CA LEU A 28 1.751 -10.332 6.880 1.00 0.36 C ATOM 435 C LEU A 28 1.185 -10.296 8.299 1.00 0.40 C ATOM 436 O LEU A 28 -0.020 -10.453 8.486 1.00 0.38 O ATOM 437 CB LEU A 28 2.250 -8.939 6.479 1.00 0.35 C ATOM 438 CG LEU A 28 2.941 -8.859 5.117 1.00 0.33 C ATOM 439 CD1 LEU A 28 3.482 -7.459 4.881 1.00 0.37 C ATOM 440 CD2 LEU A 28 4.058 -9.890 5.017 1.00 0.38 C ATOM 0 H LEU A 28 0.038 -10.092 5.696 1.00 0.32 H new ATOM 0 HA LEU A 28 2.586 -11.032 6.861 1.00 0.36 H new ATOM 0 HB2 LEU A 28 1.402 -8.254 6.479 1.00 0.35 H new ATOM 0 HB3 LEU A 28 2.945 -8.587 7.242 1.00 0.35 H new ATOM 0 HG LEU A 28 2.205 -9.081 4.344 1.00 0.33 H new ATOM 0 HD11 LEU A 28 3.971 -7.417 3.908 1.00 0.37 H new ATOM 0 HD12 LEU A 28 2.661 -6.743 4.905 1.00 0.37 H new ATOM 0 HD13 LEU A 28 4.203 -7.211 5.660 1.00 0.37 H new ATOM 0 HD21 LEU A 28 4.536 -9.815 4.040 1.00 0.38 H new ATOM 0 HD22 LEU A 28 4.796 -9.704 5.797 1.00 0.38 H new ATOM 0 HD23 LEU A 28 3.642 -10.890 5.142 1.00 0.38 H new ATOM 452 N PRO A 29 2.044 -10.122 9.326 1.00 0.46 N ATOM 453 CA PRO A 29 1.586 -10.047 10.715 1.00 0.51 C ATOM 454 C PRO A 29 0.466 -9.024 10.887 1.00 0.47 C ATOM 455 O PRO A 29 -0.438 -9.206 11.705 1.00 0.49 O ATOM 456 CB PRO A 29 2.835 -9.607 11.480 1.00 0.59 C ATOM 457 CG PRO A 29 3.974 -10.093 10.654 1.00 0.59 C ATOM 458 CD PRO A 29 3.514 -10.010 9.224 1.00 0.50 C ATOM 0 HA PRO A 29 1.173 -10.993 11.065 1.00 0.51 H new ATOM 0 HB2 PRO A 29 2.866 -8.524 11.599 1.00 0.59 H new ATOM 0 HB3 PRO A 29 2.859 -10.038 12.481 1.00 0.59 H new ATOM 0 HG2 PRO A 29 4.862 -9.481 10.815 1.00 0.59 H new ATOM 0 HG3 PRO A 29 4.240 -11.116 10.920 1.00 0.59 H new ATOM 0 HD2 PRO A 29 3.813 -9.070 8.760 1.00 0.50 H new ATOM 0 HD3 PRO A 29 3.936 -10.813 8.619 1.00 0.50 H new ATOM 466 N SER A 30 0.528 -7.952 10.101 1.00 0.43 N ATOM 467 CA SER A 30 -0.478 -6.897 10.159 1.00 0.41 C ATOM 468 C SER A 30 -1.690 -7.242 9.297 1.00 0.36 C ATOM 469 O SER A 30 -2.727 -6.583 9.384 1.00 0.36 O ATOM 470 CB SER A 30 0.120 -5.561 9.723 1.00 0.43 C ATOM 471 OG SER A 30 0.984 -5.042 10.718 1.00 1.14 O ATOM 0 H SER A 30 1.266 -7.792 9.415 1.00 0.43 H new ATOM 0 HA SER A 30 -0.812 -6.811 11.193 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.670 -5.692 8.791 1.00 0.43 H new ATOM 0 HB3 SER A 30 -0.680 -4.848 9.524 1.00 0.43 H new ATOM 0 HG SER A 30 0.858 -4.073 10.787 1.00 1.14 H new ATOM 477 N GLY A 31 -1.556 -8.271 8.462 1.00 0.34 N ATOM 478 CA GLY A 31 -2.666 -8.690 7.624 1.00 0.31 C ATOM 479 C GLY A 31 -2.551 -8.256 6.173 1.00 0.27 C ATOM 480 O GLY A 31 -3.523 -8.343 5.424 1.00 0.30 O ATOM 0 H GLY A 31 -0.703 -8.819 8.352 1.00 0.34 H new ATOM 0 HA2 GLY A 31 -2.744 -9.777 7.661 1.00 0.31 H new ATOM 0 HA3 GLY A 31 -3.591 -8.289 8.039 1.00 0.31 H new ATOM 484 N LEU A 32 -1.371 -7.818 5.758 1.00 0.25 N ATOM 485 CA LEU A 32 -1.185 -7.348 4.387 1.00 0.25 C ATOM 486 C LEU A 32 -0.932 -8.478 3.398 1.00 0.22 C ATOM 487 O LEU A 32 -0.137 -9.382 3.651 1.00 0.23 O ATOM 488 CB LEU A 32 -0.033 -6.358 4.319 1.00 0.35 C ATOM 489 CG LEU A 32 -0.354 -4.993 4.904 1.00 0.44 C ATOM 490 CD1 LEU A 32 -0.187 -5.015 6.410 1.00 1.19 C ATOM 491 CD2 LEU A 32 0.516 -3.924 4.270 1.00 1.35 C ATOM 0 H LEU A 32 -0.535 -7.777 6.341 1.00 0.25 H new ATOM 0 HA LEU A 32 -2.119 -6.864 4.101 1.00 0.25 H new ATOM 0 HB2 LEU A 32 0.823 -6.776 4.848 1.00 0.35 H new ATOM 0 HB3 LEU A 32 0.265 -6.234 3.278 1.00 0.35 H new ATOM 0 HG LEU A 32 -1.393 -4.751 4.682 1.00 0.44 H new ATOM 0 HD11 LEU A 32 -0.420 -4.031 6.816 1.00 1.19 H new ATOM 0 HD12 LEU A 32 -0.862 -5.754 6.840 1.00 1.19 H new ATOM 0 HD13 LEU A 32 0.842 -5.276 6.658 1.00 1.19 H new ATOM 0 HD21 LEU A 32 0.272 -2.953 4.701 1.00 1.35 H new ATOM 0 HD22 LEU A 32 1.566 -4.151 4.457 1.00 1.35 H new ATOM 0 HD23 LEU A 32 0.336 -3.899 3.195 1.00 1.35 H new ATOM 503 N GLN A 33 -1.620 -8.402 2.265 1.00 0.23 N ATOM 504 CA GLN A 33 -1.464 -9.370 1.189 1.00 0.22 C ATOM 505 C GLN A 33 -0.920 -8.648 -0.037 1.00 0.21 C ATOM 506 O GLN A 33 -1.277 -7.496 -0.289 1.00 0.21 O ATOM 507 CB GLN A 33 -2.795 -10.046 0.854 1.00 0.26 C ATOM 508 CG GLN A 33 -3.309 -10.971 1.947 1.00 0.33 C ATOM 509 CD GLN A 33 -3.853 -10.219 3.146 1.00 0.98 C ATOM 510 OE1 GLN A 33 -3.788 -10.702 4.276 1.00 1.75 O ATOM 511 NE2 GLN A 33 -4.401 -9.032 2.906 1.00 1.69 N ATOM 0 H GLN A 33 -2.300 -7.668 2.068 1.00 0.23 H new ATOM 0 HA GLN A 33 -0.771 -10.149 1.507 1.00 0.22 H new ATOM 0 HB2 GLN A 33 -3.543 -9.277 0.661 1.00 0.26 H new ATOM 0 HB3 GLN A 33 -2.679 -10.617 -0.067 1.00 0.26 H new ATOM 0 HG2 GLN A 33 -4.093 -11.609 1.538 1.00 0.33 H new ATOM 0 HG3 GLN A 33 -2.501 -11.627 2.271 1.00 0.33 H new ATOM 0 HE21 GLN A 33 -4.434 -8.669 1.953 1.00 1.69 H new ATOM 0 HE22 GLN A 33 -4.788 -8.484 3.674 1.00 1.69 H new ATOM 520 N TYR A 34 -0.058 -9.309 -0.795 1.00 0.20 N ATOM 521 CA TYR A 34 0.531 -8.677 -1.972 1.00 0.19 C ATOM 522 C TYR A 34 1.092 -9.694 -2.956 1.00 0.18 C ATOM 523 O TYR A 34 1.101 -10.897 -2.693 1.00 0.19 O ATOM 524 CB TYR A 34 1.639 -7.713 -1.545 1.00 0.19 C ATOM 525 CG TYR A 34 2.679 -8.336 -0.642 1.00 0.19 C ATOM 526 CD1 TYR A 34 2.473 -8.421 0.728 1.00 0.31 C ATOM 527 CD2 TYR A 34 3.869 -8.833 -1.157 1.00 0.25 C ATOM 528 CE1 TYR A 34 3.419 -8.984 1.557 1.00 0.32 C ATOM 529 CE2 TYR A 34 4.821 -9.396 -0.332 1.00 0.30 C ATOM 530 CZ TYR A 34 4.593 -9.470 1.025 1.00 0.26 C ATOM 531 OH TYR A 34 5.542 -10.028 1.850 1.00 0.31 O ATOM 0 H TYR A 34 0.247 -10.267 -0.623 1.00 0.20 H new ATOM 0 HA TYR A 34 -0.266 -8.133 -2.479 1.00 0.19 H new ATOM 0 HB2 TYR A 34 2.132 -7.324 -2.436 1.00 0.19 H new ATOM 0 HB3 TYR A 34 1.190 -6.863 -1.032 1.00 0.19 H new ATOM 0 HD1 TYR A 34 1.556 -8.039 1.152 1.00 0.31 H new ATOM 0 HD2 TYR A 34 4.052 -8.778 -2.220 1.00 0.25 H new ATOM 0 HE1 TYR A 34 3.240 -9.044 2.620 1.00 0.32 H new ATOM 0 HE2 TYR A 34 5.742 -9.777 -0.748 1.00 0.30 H new ATOM 0 HH TYR A 34 6.365 -9.497 1.809 1.00 0.31 H new ATOM 541 N LYS A 35 1.561 -9.188 -4.094 1.00 0.18 N ATOM 542 CA LYS A 35 2.154 -10.034 -5.124 1.00 0.20 C ATOM 543 C LYS A 35 3.593 -9.593 -5.373 1.00 0.18 C ATOM 544 O LYS A 35 3.849 -8.471 -5.811 1.00 0.19 O ATOM 545 CB LYS A 35 1.338 -9.956 -6.418 1.00 0.27 C ATOM 546 CG LYS A 35 1.772 -10.952 -7.483 1.00 0.35 C ATOM 547 CD LYS A 35 2.791 -10.346 -8.436 1.00 0.99 C ATOM 548 CE LYS A 35 3.227 -11.345 -9.498 1.00 1.58 C ATOM 549 NZ LYS A 35 4.167 -10.736 -10.480 1.00 2.15 N ATOM 0 H LYS A 35 1.541 -8.195 -4.325 1.00 0.18 H new ATOM 0 HA LYS A 35 2.149 -11.070 -4.784 1.00 0.20 H new ATOM 0 HB2 LYS A 35 0.287 -10.125 -6.184 1.00 0.27 H new ATOM 0 HB3 LYS A 35 1.416 -8.948 -6.825 1.00 0.27 H new ATOM 0 HG2 LYS A 35 2.200 -11.833 -7.005 1.00 0.35 H new ATOM 0 HG3 LYS A 35 0.900 -11.286 -8.046 1.00 0.35 H new ATOM 0 HD2 LYS A 35 2.363 -9.467 -8.917 1.00 0.99 H new ATOM 0 HD3 LYS A 35 3.661 -10.009 -7.873 1.00 0.99 H new ATOM 0 HE2 LYS A 35 3.706 -12.199 -9.019 1.00 1.58 H new ATOM 0 HE3 LYS A 35 2.350 -11.724 -10.022 1.00 1.58 H new ATOM 0 HZ1 LYS A 35 4.440 -11.448 -11.187 1.00 2.15 H new ATOM 0 HZ2 LYS A 35 3.702 -9.937 -10.956 1.00 2.15 H new ATOM 0 HZ3 LYS A 35 5.016 -10.397 -9.984 1.00 2.15 H new ATOM 563 N VAL A 36 4.524 -10.496 -5.087 1.00 0.19 N ATOM 564 CA VAL A 36 5.948 -10.217 -5.221 1.00 0.19 C ATOM 565 C VAL A 36 6.446 -10.279 -6.660 1.00 0.22 C ATOM 566 O VAL A 36 6.265 -11.278 -7.356 1.00 0.28 O ATOM 567 CB VAL A 36 6.776 -11.204 -4.376 1.00 0.25 C ATOM 568 CG1 VAL A 36 8.263 -10.905 -4.497 1.00 0.26 C ATOM 569 CG2 VAL A 36 6.334 -11.160 -2.923 1.00 0.30 C ATOM 0 H VAL A 36 4.314 -11.438 -4.757 1.00 0.19 H new ATOM 0 HA VAL A 36 6.080 -9.195 -4.865 1.00 0.19 H new ATOM 0 HB VAL A 36 6.603 -12.210 -4.757 1.00 0.25 H new ATOM 0 HG11 VAL A 36 8.827 -11.615 -3.892 1.00 0.26 H new ATOM 0 HG12 VAL A 36 8.568 -10.994 -5.540 1.00 0.26 H new ATOM 0 HG13 VAL A 36 8.460 -9.892 -4.146 1.00 0.26 H new ATOM 0 HG21 VAL A 36 6.929 -11.863 -2.340 1.00 0.30 H new ATOM 0 HG22 VAL A 36 6.475 -10.153 -2.530 1.00 0.30 H new ATOM 0 HG23 VAL A 36 5.281 -11.432 -2.855 1.00 0.30 H new ATOM 579 N ILE A 37 7.076 -9.191 -7.090 1.00 0.22 N ATOM 580 CA ILE A 37 7.660 -9.106 -8.421 1.00 0.26 C ATOM 581 C ILE A 37 9.169 -9.324 -8.320 1.00 0.25 C ATOM 582 O ILE A 37 9.715 -10.262 -8.900 1.00 0.30 O ATOM 583 CB ILE A 37 7.378 -7.743 -9.084 1.00 0.29 C ATOM 584 CG1 ILE A 37 5.873 -7.464 -9.099 1.00 0.31 C ATOM 585 CG2 ILE A 37 7.944 -7.713 -10.497 1.00 0.37 C ATOM 586 CD1 ILE A 37 5.517 -6.060 -9.539 1.00 0.65 C ATOM 0 H ILE A 37 7.195 -8.348 -6.528 1.00 0.22 H new ATOM 0 HA ILE A 37 7.204 -9.877 -9.042 1.00 0.26 H new ATOM 0 HB ILE A 37 7.868 -6.962 -8.503 1.00 0.29 H new ATOM 0 HG12 ILE A 37 5.387 -8.178 -9.764 1.00 0.31 H new ATOM 0 HG13 ILE A 37 5.471 -7.635 -8.100 1.00 0.31 H new ATOM 0 HG21 ILE A 37 7.737 -6.744 -10.952 1.00 0.37 H new ATOM 0 HG22 ILE A 37 9.021 -7.874 -10.461 1.00 0.37 H new ATOM 0 HG23 ILE A 37 7.480 -8.500 -11.092 1.00 0.37 H new ATOM 0 HD11 ILE A 37 4.434 -5.938 -9.524 1.00 0.65 H new ATOM 0 HD12 ILE A 37 5.973 -5.339 -8.860 1.00 0.65 H new ATOM 0 HD13 ILE A 37 5.887 -5.891 -10.550 1.00 0.65 H new ATOM 598 N ASN A 38 9.835 -8.440 -7.574 1.00 0.21 N ATOM 599 CA ASN A 38 11.274 -8.539 -7.351 1.00 0.22 C ATOM 600 C ASN A 38 11.582 -8.311 -5.873 1.00 0.29 C ATOM 601 O ASN A 38 11.622 -7.173 -5.414 1.00 0.44 O ATOM 602 CB ASN A 38 12.024 -7.513 -8.202 1.00 0.31 C ATOM 603 CG ASN A 38 13.524 -7.575 -7.989 1.00 0.40 C ATOM 604 OD1 ASN A 38 14.088 -8.646 -7.767 1.00 1.03 O ATOM 605 ND2 ASN A 38 14.177 -6.420 -8.046 1.00 0.56 N ATOM 0 H ASN A 38 9.395 -7.644 -7.113 1.00 0.21 H new ATOM 0 HA ASN A 38 11.604 -9.536 -7.642 1.00 0.22 H new ATOM 0 HB2 ASN A 38 11.801 -7.685 -9.255 1.00 0.31 H new ATOM 0 HB3 ASN A 38 11.666 -6.512 -7.960 1.00 0.31 H new ATOM 0 HD21 ASN A 38 15.187 -6.397 -7.903 1.00 0.56 H new ATOM 0 HD22 ASN A 38 13.669 -5.556 -8.233 1.00 0.56 H new ATOM 612 N SER A 39 11.796 -9.394 -5.128 1.00 0.28 N ATOM 613 CA SER A 39 12.076 -9.290 -3.696 1.00 0.37 C ATOM 614 C SER A 39 13.556 -9.489 -3.383 1.00 0.29 C ATOM 615 O SER A 39 14.246 -10.269 -4.040 1.00 0.33 O ATOM 616 CB SER A 39 11.246 -10.309 -2.916 1.00 0.58 C ATOM 617 OG SER A 39 11.475 -11.625 -3.391 1.00 1.50 O ATOM 0 H SER A 39 11.781 -10.348 -5.489 1.00 0.28 H new ATOM 0 HA SER A 39 11.802 -8.280 -3.390 1.00 0.37 H new ATOM 0 HB2 SER A 39 11.497 -10.253 -1.857 1.00 0.58 H new ATOM 0 HB3 SER A 39 10.187 -10.066 -3.006 1.00 0.58 H new ATOM 0 HG SER A 39 10.934 -12.258 -2.875 1.00 1.50 H new ATOM 623 N GLY A 40 14.032 -8.768 -2.368 1.00 0.34 N ATOM 624 CA GLY A 40 15.420 -8.875 -1.955 1.00 0.36 C ATOM 625 C GLY A 40 16.312 -7.822 -2.584 1.00 0.50 C ATOM 626 O GLY A 40 16.039 -6.624 -2.494 1.00 1.09 O ATOM 0 H GLY A 40 13.476 -8.109 -1.823 1.00 0.34 H new ATOM 0 HA2 GLY A 40 15.477 -8.790 -0.870 1.00 0.36 H new ATOM 0 HA3 GLY A 40 15.795 -9.864 -2.217 1.00 0.36 H new ATOM 630 N ASN A 41 17.384 -8.289 -3.213 1.00 0.42 N ATOM 631 CA ASN A 41 18.357 -7.426 -3.878 1.00 0.47 C ATOM 632 C ASN A 41 19.194 -6.606 -2.884 1.00 0.37 C ATOM 633 O ASN A 41 20.311 -6.995 -2.540 1.00 0.36 O ATOM 634 CB ASN A 41 17.670 -6.502 -4.895 1.00 0.60 C ATOM 635 CG ASN A 41 16.707 -7.244 -5.797 1.00 0.82 C ATOM 636 OD1 ASN A 41 15.419 -7.150 -5.486 1.00 1.70 O flip ATOM 637 ND2 ASN A 41 17.111 -7.878 -6.772 1.00 0.66 N flip ATOM 0 H ASN A 41 17.605 -9.283 -3.277 1.00 0.42 H new ATOM 0 HA ASN A 41 19.044 -8.084 -4.410 1.00 0.47 H new ATOM 0 HB2 ASN A 41 17.132 -5.718 -4.362 1.00 0.60 H new ATOM 0 HB3 ASN A 41 18.428 -6.011 -5.505 1.00 0.60 H new ATOM 0 HD21 ASN A 41 18.110 -7.923 -6.973 1.00 0.66 H new ATOM 0 HD22 ASN A 41 16.447 -8.358 -7.379 1.00 0.66 H new ATOM 644 N GLY A 42 18.655 -5.476 -2.426 1.00 0.35 N ATOM 645 CA GLY A 42 19.390 -4.604 -1.521 1.00 0.33 C ATOM 646 C GLY A 42 19.163 -4.865 -0.040 1.00 0.33 C ATOM 647 O GLY A 42 18.250 -5.589 0.356 1.00 0.34 O ATOM 0 H GLY A 42 17.720 -5.148 -2.667 1.00 0.35 H new ATOM 0 HA2 GLY A 42 20.455 -4.704 -1.732 1.00 0.33 H new ATOM 0 HA3 GLY A 42 19.118 -3.571 -1.737 1.00 0.33 H new ATOM 651 N VAL A 43 20.029 -4.250 0.766 1.00 0.32 N ATOM 652 CA VAL A 43 19.985 -4.330 2.225 1.00 0.32 C ATOM 653 C VAL A 43 19.148 -3.172 2.778 1.00 0.29 C ATOM 654 O VAL A 43 18.713 -2.319 2.007 1.00 0.28 O ATOM 655 CB VAL A 43 21.407 -4.281 2.826 1.00 0.36 C ATOM 656 CG1 VAL A 43 21.426 -4.851 4.236 1.00 1.36 C ATOM 657 CG2 VAL A 43 22.391 -5.025 1.933 1.00 1.42 C ATOM 0 H VAL A 43 20.794 -3.672 0.416 1.00 0.32 H new ATOM 0 HA VAL A 43 19.529 -5.280 2.505 1.00 0.32 H new ATOM 0 HB VAL A 43 21.713 -3.236 2.883 1.00 0.36 H new ATOM 0 HG11 VAL A 43 22.440 -4.804 4.634 1.00 1.36 H new ATOM 0 HG12 VAL A 43 20.759 -4.270 4.872 1.00 1.36 H new ATOM 0 HG13 VAL A 43 21.093 -5.889 4.213 1.00 1.36 H new ATOM 0 HG21 VAL A 43 23.387 -4.980 2.373 1.00 1.42 H new ATOM 0 HG22 VAL A 43 22.082 -6.066 1.840 1.00 1.42 H new ATOM 0 HG23 VAL A 43 22.408 -4.562 0.946 1.00 1.42 H new ATOM 667 N LYS A 44 18.949 -3.129 4.107 1.00 0.29 N ATOM 668 CA LYS A 44 18.157 -2.060 4.743 1.00 0.28 C ATOM 669 C LYS A 44 17.769 -2.402 6.187 1.00 0.29 C ATOM 670 O LYS A 44 17.730 -3.568 6.581 1.00 0.32 O ATOM 671 CB LYS A 44 16.868 -1.796 3.950 1.00 0.29 C ATOM 672 CG LYS A 44 15.970 -3.017 3.813 1.00 0.39 C ATOM 673 CD LYS A 44 14.982 -3.126 4.966 1.00 1.17 C ATOM 674 CE LYS A 44 14.550 -4.566 5.199 1.00 1.63 C ATOM 675 NZ LYS A 44 13.888 -5.151 4.001 1.00 2.18 N ATOM 0 H LYS A 44 19.323 -3.818 4.759 1.00 0.29 H new ATOM 0 HA LYS A 44 18.791 -1.173 4.750 1.00 0.28 H new ATOM 0 HB2 LYS A 44 16.309 -0.998 4.439 1.00 0.29 H new ATOM 0 HB3 LYS A 44 17.132 -1.437 2.955 1.00 0.29 H new ATOM 0 HG2 LYS A 44 15.424 -2.963 2.871 1.00 0.39 H new ATOM 0 HG3 LYS A 44 16.584 -3.917 3.774 1.00 0.39 H new ATOM 0 HD2 LYS A 44 15.437 -2.730 5.874 1.00 1.17 H new ATOM 0 HD3 LYS A 44 14.106 -2.512 4.755 1.00 1.17 H new ATOM 0 HE2 LYS A 44 15.420 -5.167 5.462 1.00 1.63 H new ATOM 0 HE3 LYS A 44 13.866 -4.607 6.047 1.00 1.63 H new ATOM 0 HZ1 LYS A 44 13.490 -6.081 4.244 1.00 2.18 H new ATOM 0 HZ2 LYS A 44 13.125 -4.520 3.683 1.00 2.18 H new ATOM 0 HZ3 LYS A 44 14.586 -5.262 3.238 1.00 2.18 H new ATOM 689 N PRO A 45 17.473 -1.348 6.983 1.00 0.29 N ATOM 690 CA PRO A 45 17.091 -1.440 8.395 1.00 0.30 C ATOM 691 C PRO A 45 15.604 -1.706 8.617 1.00 0.30 C ATOM 692 O PRO A 45 14.804 -1.699 7.682 1.00 0.29 O ATOM 693 CB PRO A 45 17.471 -0.067 8.974 1.00 0.27 C ATOM 694 CG PRO A 45 17.980 0.747 7.826 1.00 0.30 C ATOM 695 CD PRO A 45 17.518 0.060 6.575 1.00 0.30 C ATOM 0 HA PRO A 45 17.593 -2.282 8.871 1.00 0.30 H new ATOM 0 HB2 PRO A 45 16.608 0.412 9.438 1.00 0.27 H new ATOM 0 HB3 PRO A 45 18.233 -0.168 9.747 1.00 0.27 H new ATOM 0 HG2 PRO A 45 17.596 1.766 7.873 1.00 0.30 H new ATOM 0 HG3 PRO A 45 19.068 0.815 7.851 1.00 0.30 H new ATOM 0 HD2 PRO A 45 16.541 0.420 6.252 1.00 0.30 H new ATOM 0 HD3 PRO A 45 18.207 0.220 5.746 1.00 0.30 H new ATOM 703 N GLY A 46 15.257 -1.931 9.881 1.00 0.32 N ATOM 704 CA GLY A 46 13.884 -2.201 10.272 1.00 0.35 C ATOM 705 C GLY A 46 13.001 -0.983 10.091 1.00 0.33 C ATOM 706 O GLY A 46 13.431 -0.011 9.488 1.00 0.28 O ATOM 0 H GLY A 46 15.919 -1.931 10.657 1.00 0.32 H new ATOM 0 HA2 GLY A 46 13.492 -3.027 9.678 1.00 0.35 H new ATOM 0 HA3 GLY A 46 13.858 -2.518 11.315 1.00 0.35 H new ATOM 710 N LYS A 47 11.759 -1.059 10.570 1.00 0.37 N ATOM 711 CA LYS A 47 10.777 0.030 10.424 1.00 0.37 C ATOM 712 C LYS A 47 11.365 1.434 10.646 1.00 0.34 C ATOM 713 O LYS A 47 10.716 2.430 10.326 1.00 0.35 O ATOM 714 CB LYS A 47 9.616 -0.190 11.394 1.00 0.44 C ATOM 715 CG LYS A 47 10.061 -0.375 12.834 1.00 0.99 C ATOM 716 CD LYS A 47 8.880 -0.615 13.759 1.00 0.94 C ATOM 717 CE LYS A 47 9.336 -0.869 15.187 1.00 1.85 C ATOM 718 NZ LYS A 47 10.185 -2.087 15.290 1.00 2.35 N ATOM 0 H LYS A 47 11.400 -1.873 11.070 1.00 0.37 H new ATOM 0 HA LYS A 47 10.436 -0.005 9.389 1.00 0.37 H new ATOM 0 HB2 LYS A 47 8.938 0.662 11.337 1.00 0.44 H new ATOM 0 HB3 LYS A 47 9.051 -1.068 11.080 1.00 0.44 H new ATOM 0 HG2 LYS A 47 10.750 -1.217 12.897 1.00 0.99 H new ATOM 0 HG3 LYS A 47 10.607 0.509 13.163 1.00 0.99 H new ATOM 0 HD2 LYS A 47 8.216 0.249 13.736 1.00 0.94 H new ATOM 0 HD3 LYS A 47 8.304 -1.469 13.402 1.00 0.94 H new ATOM 0 HE2 LYS A 47 9.894 -0.006 15.549 1.00 1.85 H new ATOM 0 HE3 LYS A 47 8.464 -0.978 15.832 1.00 1.85 H new ATOM 0 HZ1 LYS A 47 10.251 -2.381 16.285 1.00 2.35 H new ATOM 0 HZ2 LYS A 47 9.761 -2.854 14.730 1.00 2.35 H new ATOM 0 HZ3 LYS A 47 11.137 -1.878 14.927 1.00 2.35 H new ATOM 732 N SER A 48 12.568 1.526 11.198 1.00 0.31 N ATOM 733 CA SER A 48 13.206 2.827 11.398 1.00 0.31 C ATOM 734 C SER A 48 13.957 3.224 10.127 1.00 0.27 C ATOM 735 O SER A 48 14.689 4.212 10.094 1.00 0.29 O ATOM 736 CB SER A 48 14.168 2.780 12.589 1.00 0.32 C ATOM 737 OG SER A 48 15.193 1.825 12.381 1.00 1.45 O ATOM 0 H SER A 48 13.119 0.727 11.513 1.00 0.31 H new ATOM 0 HA SER A 48 12.438 3.570 11.612 1.00 0.31 H new ATOM 0 HB2 SER A 48 14.610 3.765 12.742 1.00 0.32 H new ATOM 0 HB3 SER A 48 13.616 2.534 13.496 1.00 0.32 H new ATOM 0 HG SER A 48 15.794 1.816 13.155 1.00 1.45 H new ATOM 743 N ASP A 49 13.753 2.421 9.089 1.00 0.25 N ATOM 744 CA ASP A 49 14.383 2.607 7.786 1.00 0.24 C ATOM 745 C ASP A 49 13.808 3.806 7.033 1.00 0.23 C ATOM 746 O ASP A 49 12.635 4.147 7.184 1.00 0.29 O ATOM 747 CB ASP A 49 14.191 1.328 6.961 1.00 0.26 C ATOM 748 CG ASP A 49 14.065 1.582 5.472 1.00 0.74 C ATOM 749 OD1 ASP A 49 12.993 2.054 5.037 1.00 0.53 O ATOM 750 OD2 ASP A 49 15.032 1.298 4.740 1.00 1.73 O ATOM 0 H ASP A 49 13.136 1.610 9.129 1.00 0.25 H new ATOM 0 HA ASP A 49 15.443 2.808 7.942 1.00 0.24 H new ATOM 0 HB2 ASP A 49 15.035 0.661 7.138 1.00 0.26 H new ATOM 0 HB3 ASP A 49 13.297 0.811 7.310 1.00 0.26 H new ATOM 755 N THR A 50 14.652 4.437 6.218 1.00 0.26 N ATOM 756 CA THR A 50 14.246 5.581 5.412 1.00 0.28 C ATOM 757 C THR A 50 14.604 5.316 3.958 1.00 0.33 C ATOM 758 O THR A 50 15.777 5.138 3.629 1.00 0.44 O ATOM 759 CB THR A 50 14.937 6.877 5.877 1.00 0.36 C ATOM 760 OG1 THR A 50 14.676 7.101 7.268 1.00 0.39 O ATOM 761 CG2 THR A 50 14.454 8.070 5.066 1.00 0.42 C ATOM 0 H THR A 50 15.629 4.170 6.100 1.00 0.26 H new ATOM 0 HA THR A 50 13.170 5.713 5.525 1.00 0.28 H new ATOM 0 HB THR A 50 16.010 6.765 5.723 1.00 0.36 H new ATOM 0 HG1 THR A 50 15.120 7.926 7.556 1.00 0.39 H new ATOM 0 HG21 THR A 50 14.956 8.973 5.413 1.00 0.42 H new ATOM 0 HG22 THR A 50 14.682 7.910 4.012 1.00 0.42 H new ATOM 0 HG23 THR A 50 13.377 8.183 5.191 1.00 0.42 H new ATOM 769 N VAL A 51 13.608 5.295 3.084 1.00 0.29 N ATOM 770 CA VAL A 51 13.861 5.016 1.678 1.00 0.37 C ATOM 771 C VAL A 51 13.172 6.005 0.751 1.00 0.30 C ATOM 772 O VAL A 51 12.179 6.636 1.112 1.00 0.29 O ATOM 773 CB VAL A 51 13.399 3.595 1.306 1.00 0.51 C ATOM 774 CG1 VAL A 51 14.137 2.555 2.134 1.00 0.65 C ATOM 775 CG2 VAL A 51 11.894 3.456 1.484 1.00 0.53 C ATOM 0 H VAL A 51 12.630 5.465 3.319 1.00 0.29 H new ATOM 0 HA VAL A 51 14.939 5.110 1.545 1.00 0.37 H new ATOM 0 HB VAL A 51 13.636 3.424 0.256 1.00 0.51 H new ATOM 0 HG11 VAL A 51 13.795 1.558 1.855 1.00 0.65 H new ATOM 0 HG12 VAL A 51 15.208 2.636 1.949 1.00 0.65 H new ATOM 0 HG13 VAL A 51 13.937 2.724 3.192 1.00 0.65 H new ATOM 0 HG21 VAL A 51 11.588 2.445 1.216 1.00 0.53 H new ATOM 0 HG22 VAL A 51 11.631 3.651 2.524 1.00 0.53 H new ATOM 0 HG23 VAL A 51 11.384 4.172 0.840 1.00 0.53 H new ATOM 785 N THR A 52 13.724 6.128 -0.451 1.00 0.27 N ATOM 786 CA THR A 52 13.168 7.004 -1.471 1.00 0.23 C ATOM 787 C THR A 52 12.616 6.155 -2.604 1.00 0.19 C ATOM 788 O THR A 52 13.347 5.380 -3.221 1.00 0.17 O ATOM 789 CB THR A 52 14.234 7.967 -2.030 1.00 0.26 C ATOM 790 OG1 THR A 52 14.748 8.791 -0.977 1.00 0.32 O ATOM 791 CG2 THR A 52 13.653 8.845 -3.129 1.00 0.26 C ATOM 0 H THR A 52 14.563 5.627 -0.743 1.00 0.27 H new ATOM 0 HA THR A 52 12.377 7.601 -1.018 1.00 0.23 H new ATOM 0 HB THR A 52 15.042 7.371 -2.455 1.00 0.26 H new ATOM 0 HG1 THR A 52 15.426 9.399 -1.339 1.00 0.32 H new ATOM 0 HG21 THR A 52 14.426 9.515 -3.506 1.00 0.26 H new ATOM 0 HG22 THR A 52 13.289 8.217 -3.942 1.00 0.26 H new ATOM 0 HG23 THR A 52 12.828 9.433 -2.727 1.00 0.26 H new ATOM 799 N VAL A 53 11.327 6.300 -2.879 1.00 0.19 N ATOM 800 CA VAL A 53 10.691 5.513 -3.924 1.00 0.18 C ATOM 801 C VAL A 53 9.654 6.321 -4.697 1.00 0.19 C ATOM 802 O VAL A 53 9.432 7.500 -4.428 1.00 0.23 O ATOM 803 CB VAL A 53 9.998 4.265 -3.332 1.00 0.20 C ATOM 804 CG1 VAL A 53 10.876 3.604 -2.284 1.00 0.22 C ATOM 805 CG2 VAL A 53 8.640 4.621 -2.741 1.00 0.24 C ATOM 0 H VAL A 53 10.706 6.950 -2.397 1.00 0.19 H new ATOM 0 HA VAL A 53 11.485 5.211 -4.607 1.00 0.18 H new ATOM 0 HB VAL A 53 9.840 3.556 -4.145 1.00 0.20 H new ATOM 0 HG11 VAL A 53 10.366 2.728 -1.882 1.00 0.22 H new ATOM 0 HG12 VAL A 53 11.818 3.299 -2.739 1.00 0.22 H new ATOM 0 HG13 VAL A 53 11.074 4.310 -1.478 1.00 0.22 H new ATOM 0 HG21 VAL A 53 8.175 3.724 -2.332 1.00 0.24 H new ATOM 0 HG22 VAL A 53 8.770 5.357 -1.947 1.00 0.24 H new ATOM 0 HG23 VAL A 53 8.002 5.037 -3.520 1.00 0.24 H new ATOM 815 N GLU A 54 9.028 5.662 -5.663 1.00 0.18 N ATOM 816 CA GLU A 54 7.992 6.272 -6.485 1.00 0.20 C ATOM 817 C GLU A 54 6.784 5.349 -6.544 1.00 0.20 C ATOM 818 O GLU A 54 6.934 4.150 -6.779 1.00 0.21 O ATOM 819 CB GLU A 54 8.522 6.531 -7.895 1.00 0.24 C ATOM 820 CG GLU A 54 9.340 7.805 -8.014 1.00 1.02 C ATOM 821 CD GLU A 54 10.010 7.944 -9.366 1.00 1.76 C ATOM 822 OE1 GLU A 54 11.111 7.381 -9.543 1.00 2.09 O ATOM 823 OE2 GLU A 54 9.433 8.614 -10.248 1.00 2.40 O ATOM 0 H GLU A 54 9.224 4.689 -5.899 1.00 0.18 H new ATOM 0 HA GLU A 54 7.698 7.224 -6.043 1.00 0.20 H new ATOM 0 HB2 GLU A 54 9.136 5.685 -8.204 1.00 0.24 H new ATOM 0 HB3 GLU A 54 7.681 6.584 -8.586 1.00 0.24 H new ATOM 0 HG2 GLU A 54 8.693 8.665 -7.843 1.00 1.02 H new ATOM 0 HG3 GLU A 54 10.100 7.818 -7.233 1.00 1.02 H new ATOM 830 N TYR A 55 5.588 5.891 -6.334 1.00 0.19 N ATOM 831 CA TYR A 55 4.395 5.059 -6.365 1.00 0.20 C ATOM 832 C TYR A 55 3.207 5.782 -6.969 1.00 0.19 C ATOM 833 O TYR A 55 3.147 7.011 -7.008 1.00 0.21 O ATOM 834 CB TYR A 55 4.030 4.563 -4.960 1.00 0.21 C ATOM 835 CG TYR A 55 3.249 5.561 -4.124 1.00 0.19 C ATOM 836 CD1 TYR A 55 3.871 6.676 -3.578 1.00 0.22 C ATOM 837 CD2 TYR A 55 1.889 5.380 -3.875 1.00 0.20 C ATOM 838 CE1 TYR A 55 3.165 7.585 -2.813 1.00 0.24 C ATOM 839 CE2 TYR A 55 1.174 6.286 -3.110 1.00 0.21 C ATOM 840 CZ TYR A 55 1.818 7.386 -2.582 1.00 0.22 C ATOM 841 OH TYR A 55 1.113 8.291 -1.820 1.00 0.26 O ATOM 0 H TYR A 55 5.423 6.880 -6.145 1.00 0.19 H new ATOM 0 HA TYR A 55 4.632 4.205 -6.999 1.00 0.20 H new ATOM 0 HB2 TYR A 55 3.445 3.648 -5.052 1.00 0.21 H new ATOM 0 HB3 TYR A 55 4.947 4.303 -4.431 1.00 0.21 H new ATOM 0 HD1 TYR A 55 4.925 6.836 -3.754 1.00 0.22 H new ATOM 0 HD2 TYR A 55 1.384 4.518 -4.286 1.00 0.20 H new ATOM 0 HE1 TYR A 55 3.665 8.448 -2.397 1.00 0.24 H new ATOM 0 HE2 TYR A 55 0.121 6.133 -2.928 1.00 0.21 H new ATOM 0 HH TYR A 55 0.178 8.005 -1.755 1.00 0.26 H new ATOM 851 N THR A 56 2.269 4.982 -7.434 1.00 0.18 N ATOM 852 CA THR A 56 1.041 5.475 -8.023 1.00 0.17 C ATOM 853 C THR A 56 -0.130 4.831 -7.306 1.00 0.14 C ATOM 854 O THR A 56 -0.331 3.619 -7.400 1.00 0.15 O ATOM 855 CB THR A 56 0.960 5.157 -9.530 1.00 0.21 C ATOM 856 OG1 THR A 56 2.092 5.711 -10.209 1.00 0.26 O ATOM 857 CG2 THR A 56 -0.321 5.716 -10.133 1.00 0.21 C ATOM 0 H THR A 56 2.338 3.965 -7.414 1.00 0.18 H new ATOM 0 HA THR A 56 1.015 6.559 -7.914 1.00 0.17 H new ATOM 0 HB THR A 56 0.958 4.074 -9.650 1.00 0.21 H new ATOM 0 HG1 THR A 56 2.912 5.288 -9.877 1.00 0.26 H new ATOM 0 HG21 THR A 56 -0.356 5.479 -11.196 1.00 0.21 H new ATOM 0 HG22 THR A 56 -1.182 5.272 -9.634 1.00 0.21 H new ATOM 0 HG23 THR A 56 -0.343 6.798 -10.001 1.00 0.21 H new ATOM 865 N GLY A 57 -0.903 5.633 -6.592 1.00 0.12 N ATOM 866 CA GLY A 57 -2.019 5.085 -5.854 1.00 0.11 C ATOM 867 C GLY A 57 -3.350 5.456 -6.452 1.00 0.10 C ATOM 868 O GLY A 57 -3.514 6.537 -7.015 1.00 0.10 O ATOM 0 H GLY A 57 -0.780 6.642 -6.511 1.00 0.12 H new ATOM 0 HA2 GLY A 57 -1.930 3.999 -5.822 1.00 0.11 H new ATOM 0 HA3 GLY A 57 -1.977 5.439 -4.824 1.00 0.11 H new ATOM 872 N ARG A 58 -4.305 4.551 -6.324 1.00 0.12 N ATOM 873 CA ARG A 58 -5.638 4.770 -6.850 1.00 0.13 C ATOM 874 C ARG A 58 -6.676 4.136 -5.933 1.00 0.15 C ATOM 875 O ARG A 58 -6.421 3.107 -5.307 1.00 0.19 O ATOM 876 CB ARG A 58 -5.722 4.194 -8.271 1.00 0.18 C ATOM 877 CG ARG A 58 -7.129 3.857 -8.739 1.00 0.90 C ATOM 878 CD ARG A 58 -7.435 2.378 -8.556 1.00 0.40 C ATOM 879 NE ARG A 58 -6.438 1.525 -9.201 1.00 1.00 N ATOM 880 CZ ARG A 58 -6.622 0.232 -9.448 1.00 0.99 C ATOM 881 NH1 ARG A 58 -7.764 -0.356 -9.119 1.00 0.89 N ATOM 882 NH2 ARG A 58 -5.661 -0.478 -10.027 1.00 1.93 N ATOM 0 H ARG A 58 -4.179 3.653 -5.857 1.00 0.12 H new ATOM 0 HA ARG A 58 -5.846 5.839 -6.895 1.00 0.13 H new ATOM 0 HB2 ARG A 58 -5.285 4.912 -8.965 1.00 0.18 H new ATOM 0 HB3 ARG A 58 -5.112 3.292 -8.319 1.00 0.18 H new ATOM 0 HG2 ARG A 58 -7.852 4.452 -8.181 1.00 0.90 H new ATOM 0 HG3 ARG A 58 -7.239 4.126 -9.790 1.00 0.90 H new ATOM 0 HD2 ARG A 58 -7.476 2.146 -7.492 1.00 0.40 H new ATOM 0 HD3 ARG A 58 -8.420 2.159 -8.968 1.00 0.40 H new ATOM 0 HE ARG A 58 -5.551 1.946 -9.477 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -8.506 0.184 -8.674 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -7.900 -1.349 -9.311 1.00 0.89 H new ATOM 0 HH21 ARG A 58 -4.780 -0.031 -10.283 1.00 1.93 H new ATOM 0 HH22 ARG A 58 -5.803 -1.470 -10.216 1.00 1.93 H new ATOM 896 N LEU A 59 -7.846 4.757 -5.862 1.00 0.16 N ATOM 897 CA LEU A 59 -8.927 4.254 -5.025 1.00 0.19 C ATOM 898 C LEU A 59 -9.723 3.199 -5.773 1.00 0.20 C ATOM 899 O LEU A 59 -9.712 3.164 -7.000 1.00 0.22 O ATOM 900 CB LEU A 59 -9.861 5.396 -4.615 1.00 0.22 C ATOM 901 CG LEU A 59 -9.201 6.546 -3.851 1.00 0.78 C ATOM 902 CD1 LEU A 59 -10.008 7.825 -4.014 1.00 1.21 C ATOM 903 CD2 LEU A 59 -9.059 6.192 -2.379 1.00 1.07 C ATOM 0 H LEU A 59 -8.071 5.610 -6.374 1.00 0.16 H new ATOM 0 HA LEU A 59 -8.488 3.811 -4.131 1.00 0.19 H new ATOM 0 HB2 LEU A 59 -10.328 5.800 -5.513 1.00 0.22 H new ATOM 0 HB3 LEU A 59 -10.660 4.985 -3.998 1.00 0.22 H new ATOM 0 HG LEU A 59 -8.206 6.710 -4.265 1.00 0.78 H new ATOM 0 HD11 LEU A 59 -9.525 8.633 -3.464 1.00 1.21 H new ATOM 0 HD12 LEU A 59 -10.064 8.088 -5.070 1.00 1.21 H new ATOM 0 HD13 LEU A 59 -11.014 7.672 -3.624 1.00 1.21 H new ATOM 0 HD21 LEU A 59 -8.588 7.020 -1.849 1.00 1.07 H new ATOM 0 HD22 LEU A 59 -10.045 6.003 -1.954 1.00 1.07 H new ATOM 0 HD23 LEU A 59 -8.443 5.299 -2.277 1.00 1.07 H new ATOM 915 N ILE A 60 -10.420 2.343 -5.033 1.00 0.25 N ATOM 916 CA ILE A 60 -11.235 1.308 -5.653 1.00 0.28 C ATOM 917 C ILE A 60 -12.251 1.948 -6.594 1.00 0.29 C ATOM 918 O ILE A 60 -12.908 1.270 -7.384 1.00 0.32 O ATOM 919 CB ILE A 60 -11.973 0.455 -4.597 1.00 0.34 C ATOM 920 CG1 ILE A 60 -12.643 -0.761 -5.250 1.00 0.64 C ATOM 921 CG2 ILE A 60 -13.001 1.298 -3.856 1.00 0.61 C ATOM 922 CD1 ILE A 60 -11.673 -1.696 -5.940 1.00 0.52 C ATOM 0 H ILE A 60 -10.437 2.346 -4.013 1.00 0.25 H new ATOM 0 HA ILE A 60 -10.571 0.650 -6.213 1.00 0.28 H new ATOM 0 HB ILE A 60 -11.239 0.093 -3.877 1.00 0.34 H new ATOM 0 HG12 ILE A 60 -13.188 -1.317 -4.487 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -13.377 -0.413 -5.977 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -13.512 0.682 -3.116 1.00 0.61 H new ATOM 0 HG22 ILE A 60 -12.500 2.126 -3.355 1.00 0.61 H new ATOM 0 HG23 ILE A 60 -13.729 1.691 -4.566 1.00 0.61 H new ATOM 0 HD11 ILE A 60 -12.221 -2.531 -6.377 1.00 0.52 H new ATOM 0 HD12 ILE A 60 -11.145 -1.157 -6.727 1.00 0.52 H new ATOM 0 HD13 ILE A 60 -10.954 -2.075 -5.214 1.00 0.52 H new ATOM 934 N ASP A 61 -12.360 3.273 -6.501 1.00 0.30 N ATOM 935 CA ASP A 61 -13.286 4.030 -7.334 1.00 0.36 C ATOM 936 C ASP A 61 -12.861 3.991 -8.799 1.00 0.36 C ATOM 937 O ASP A 61 -13.623 4.383 -9.684 1.00 0.42 O ATOM 938 CB ASP A 61 -13.366 5.481 -6.856 1.00 0.40 C ATOM 939 CG ASP A 61 -14.460 6.261 -7.558 1.00 1.07 C ATOM 940 OD1 ASP A 61 -15.643 6.078 -7.200 1.00 0.95 O ATOM 941 OD2 ASP A 61 -14.136 7.051 -8.470 1.00 2.01 O ATOM 0 H ASP A 61 -11.815 3.843 -5.854 1.00 0.30 H new ATOM 0 HA ASP A 61 -14.270 3.569 -7.247 1.00 0.36 H new ATOM 0 HB2 ASP A 61 -13.545 5.497 -5.781 1.00 0.40 H new ATOM 0 HB3 ASP A 61 -12.407 5.971 -7.027 1.00 0.40 H new ATOM 946 N GLY A 62 -11.645 3.511 -9.052 1.00 0.31 N ATOM 947 CA GLY A 62 -11.156 3.427 -10.415 1.00 0.37 C ATOM 948 C GLY A 62 -10.398 4.664 -10.866 1.00 0.38 C ATOM 949 O GLY A 62 -9.925 4.718 -12.002 1.00 0.45 O ATOM 0 H GLY A 62 -10.994 3.181 -8.340 1.00 0.31 H new ATOM 0 HA2 GLY A 62 -10.504 2.558 -10.505 1.00 0.37 H new ATOM 0 HA3 GLY A 62 -12.000 3.263 -11.086 1.00 0.37 H new ATOM 953 N THR A 63 -10.276 5.660 -9.991 1.00 0.33 N ATOM 954 CA THR A 63 -9.582 6.893 -10.347 1.00 0.37 C ATOM 955 C THR A 63 -8.428 7.185 -9.396 1.00 0.31 C ATOM 956 O THR A 63 -8.545 7.002 -8.183 1.00 0.30 O ATOM 957 CB THR A 63 -10.545 8.096 -10.348 1.00 0.44 C ATOM 958 OG1 THR A 63 -9.827 9.298 -10.647 1.00 1.40 O ATOM 959 CG2 THR A 63 -11.241 8.237 -9.003 1.00 1.28 C ATOM 0 H THR A 63 -10.645 5.638 -9.040 1.00 0.33 H new ATOM 0 HA THR A 63 -9.185 6.746 -11.351 1.00 0.37 H new ATOM 0 HB THR A 63 -11.302 7.924 -11.113 1.00 0.44 H new ATOM 0 HG1 THR A 63 -10.446 10.057 -10.647 1.00 1.40 H new ATOM 0 HG21 THR A 63 -11.915 9.093 -9.030 1.00 1.28 H new ATOM 0 HG22 THR A 63 -11.812 7.333 -8.792 1.00 1.28 H new ATOM 0 HG23 THR A 63 -10.496 8.386 -8.222 1.00 1.28 H new ATOM 967 N VAL A 64 -7.314 7.640 -9.960 1.00 0.28 N ATOM 968 CA VAL A 64 -6.140 7.975 -9.177 1.00 0.22 C ATOM 969 C VAL A 64 -6.455 9.119 -8.229 1.00 0.20 C ATOM 970 O VAL A 64 -7.067 10.113 -8.620 1.00 0.23 O ATOM 971 CB VAL A 64 -4.955 8.371 -10.086 1.00 0.22 C ATOM 972 CG1 VAL A 64 -5.331 9.537 -10.989 1.00 0.25 C ATOM 973 CG2 VAL A 64 -3.725 8.708 -9.256 1.00 0.18 C ATOM 0 H VAL A 64 -7.204 7.784 -10.964 1.00 0.28 H new ATOM 0 HA VAL A 64 -5.856 7.091 -8.605 1.00 0.22 H new ATOM 0 HB VAL A 64 -4.715 7.516 -10.718 1.00 0.22 H new ATOM 0 HG11 VAL A 64 -4.481 9.798 -11.620 1.00 0.25 H new ATOM 0 HG12 VAL A 64 -6.175 9.253 -11.617 1.00 0.25 H new ATOM 0 HG13 VAL A 64 -5.606 10.396 -10.378 1.00 0.25 H new ATOM 0 HG21 VAL A 64 -2.904 8.984 -9.918 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.952 9.542 -8.592 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -3.437 7.840 -8.663 1.00 0.18 H new ATOM 983 N PHE A 65 -6.041 8.971 -6.982 1.00 0.18 N ATOM 984 CA PHE A 65 -6.288 10.000 -5.982 1.00 0.20 C ATOM 985 C PHE A 65 -5.062 10.899 -5.800 1.00 0.20 C ATOM 986 O PHE A 65 -5.190 12.056 -5.398 1.00 0.24 O ATOM 987 CB PHE A 65 -6.727 9.366 -4.644 1.00 0.21 C ATOM 988 CG PHE A 65 -5.749 8.410 -3.997 1.00 0.17 C ATOM 989 CD1 PHE A 65 -4.525 8.102 -4.567 1.00 0.15 C ATOM 990 CD2 PHE A 65 -6.063 7.836 -2.780 1.00 0.18 C ATOM 991 CE1 PHE A 65 -3.643 7.250 -3.942 1.00 0.15 C ATOM 992 CE2 PHE A 65 -5.187 6.975 -2.156 1.00 0.18 C ATOM 993 CZ PHE A 65 -3.972 6.682 -2.737 1.00 0.17 C ATOM 0 H PHE A 65 -5.536 8.155 -6.638 1.00 0.18 H new ATOM 0 HA PHE A 65 -7.104 10.630 -6.337 1.00 0.20 H new ATOM 0 HB2 PHE A 65 -6.936 10.170 -3.938 1.00 0.21 H new ATOM 0 HB3 PHE A 65 -7.664 8.835 -4.809 1.00 0.21 H new ATOM 0 HD1 PHE A 65 -4.258 8.538 -5.518 1.00 0.15 H new ATOM 0 HD2 PHE A 65 -7.009 8.066 -2.311 1.00 0.18 H new ATOM 0 HE1 PHE A 65 -2.691 7.028 -4.401 1.00 0.15 H new ATOM 0 HE2 PHE A 65 -5.453 6.529 -1.209 1.00 0.18 H new ATOM 0 HZ PHE A 65 -3.283 6.010 -2.247 1.00 0.17 H new ATOM 1003 N ASP A 66 -3.879 10.363 -6.104 1.00 0.18 N ATOM 1004 CA ASP A 66 -2.641 11.115 -5.986 1.00 0.19 C ATOM 1005 C ASP A 66 -1.455 10.291 -6.478 1.00 0.17 C ATOM 1006 O ASP A 66 -1.291 9.133 -6.094 1.00 0.18 O ATOM 1007 CB ASP A 66 -2.408 11.554 -4.538 1.00 0.25 C ATOM 1008 CG ASP A 66 -1.116 12.329 -4.370 1.00 0.27 C ATOM 1009 OD1 ASP A 66 -1.134 13.563 -4.557 1.00 0.30 O ATOM 1010 OD2 ASP A 66 -0.085 11.700 -4.051 1.00 0.30 O ATOM 0 H ASP A 66 -3.758 9.406 -6.435 1.00 0.18 H new ATOM 0 HA ASP A 66 -2.731 12.004 -6.611 1.00 0.19 H new ATOM 0 HB2 ASP A 66 -3.244 12.171 -4.209 1.00 0.25 H new ATOM 0 HB3 ASP A 66 -2.388 10.675 -3.894 1.00 0.25 H new ATOM 1015 N SER A 67 -0.635 10.892 -7.329 1.00 0.17 N ATOM 1016 CA SER A 67 0.545 10.220 -7.863 1.00 0.19 C ATOM 1017 C SER A 67 1.786 11.084 -7.669 1.00 0.18 C ATOM 1018 O SER A 67 1.810 12.247 -8.072 1.00 0.22 O ATOM 1019 CB SER A 67 0.350 9.907 -9.348 1.00 0.25 C ATOM 1020 OG SER A 67 0.086 11.086 -10.088 1.00 1.30 O ATOM 0 H SER A 67 -0.764 11.846 -7.666 1.00 0.17 H new ATOM 0 HA SER A 67 0.684 9.285 -7.320 1.00 0.19 H new ATOM 0 HB2 SER A 67 1.243 9.420 -9.740 1.00 0.25 H new ATOM 0 HB3 SER A 67 -0.475 9.205 -9.470 1.00 0.25 H new ATOM 0 HG SER A 67 0.475 11.857 -9.625 1.00 1.30 H new ATOM 1026 N THR A 68 2.820 10.513 -7.052 1.00 0.19 N ATOM 1027 CA THR A 68 4.055 11.253 -6.805 1.00 0.21 C ATOM 1028 C THR A 68 4.946 11.268 -8.041 1.00 0.28 C ATOM 1029 O THR A 68 5.808 12.134 -8.185 1.00 0.34 O ATOM 1030 CB THR A 68 4.846 10.662 -5.622 1.00 0.20 C ATOM 1031 OG1 THR A 68 5.216 9.307 -5.908 1.00 0.27 O ATOM 1032 CG2 THR A 68 4.019 10.708 -4.346 1.00 0.28 C ATOM 0 H THR A 68 2.827 9.550 -6.717 1.00 0.19 H new ATOM 0 HA THR A 68 3.762 12.274 -6.559 1.00 0.21 H new ATOM 0 HB THR A 68 5.745 11.260 -5.477 1.00 0.20 H new ATOM 0 HG1 THR A 68 4.966 8.734 -5.154 1.00 0.27 H new ATOM 0 HG21 THR A 68 4.596 10.286 -3.523 1.00 0.28 H new ATOM 0 HG22 THR A 68 3.762 11.742 -4.116 1.00 0.28 H new ATOM 0 HG23 THR A 68 3.106 10.129 -4.483 1.00 0.28 H new ATOM 1040 N GLU A 69 4.731 10.307 -8.933 1.00 0.42 N ATOM 1041 CA GLU A 69 5.519 10.210 -10.155 1.00 0.56 C ATOM 1042 C GLU A 69 5.103 11.273 -11.166 1.00 0.66 C ATOM 1043 O GLU A 69 5.947 11.963 -11.738 1.00 0.75 O ATOM 1044 CB GLU A 69 5.370 8.818 -10.773 1.00 0.75 C ATOM 1045 CG GLU A 69 5.826 7.698 -9.854 1.00 1.17 C ATOM 1046 CD GLU A 69 5.782 6.339 -10.524 1.00 1.66 C ATOM 1047 OE1 GLU A 69 6.699 6.038 -11.317 1.00 2.11 O ATOM 1048 OE2 GLU A 69 4.831 5.577 -10.256 1.00 2.05 O ATOM 0 H GLU A 69 4.018 9.585 -8.832 1.00 0.42 H new ATOM 0 HA GLU A 69 6.564 10.377 -9.893 1.00 0.56 H new ATOM 0 HB2 GLU A 69 4.325 8.657 -11.039 1.00 0.75 H new ATOM 0 HB3 GLU A 69 5.945 8.776 -11.698 1.00 0.75 H new ATOM 0 HG2 GLU A 69 6.843 7.900 -9.518 1.00 1.17 H new ATOM 0 HG3 GLU A 69 5.194 7.682 -8.966 1.00 1.17 H new ATOM 1055 N LYS A 70 3.798 11.401 -11.381 1.00 0.69 N ATOM 1056 CA LYS A 70 3.272 12.378 -12.328 1.00 0.84 C ATOM 1057 C LYS A 70 3.606 13.800 -11.894 1.00 0.85 C ATOM 1058 O LYS A 70 3.887 14.661 -12.727 1.00 1.01 O ATOM 1059 CB LYS A 70 1.758 12.212 -12.475 1.00 0.91 C ATOM 1060 CG LYS A 70 1.340 10.821 -12.925 1.00 1.63 C ATOM 1061 CD LYS A 70 1.880 10.492 -14.309 1.00 1.87 C ATOM 1062 CE LYS A 70 1.455 9.102 -14.759 1.00 2.76 C ATOM 1063 NZ LYS A 70 1.921 8.046 -13.819 1.00 3.41 N ATOM 0 H LYS A 70 3.085 10.841 -10.913 1.00 0.69 H new ATOM 0 HA LYS A 70 3.744 12.199 -13.294 1.00 0.84 H new ATOM 0 HB2 LYS A 70 1.282 12.434 -11.520 1.00 0.91 H new ATOM 0 HB3 LYS A 70 1.389 12.944 -13.193 1.00 0.91 H new ATOM 0 HG2 LYS A 70 1.701 10.083 -12.209 1.00 1.63 H new ATOM 0 HG3 LYS A 70 0.252 10.752 -12.933 1.00 1.63 H new ATOM 0 HD2 LYS A 70 1.523 11.232 -15.025 1.00 1.87 H new ATOM 0 HD3 LYS A 70 2.968 10.556 -14.300 1.00 1.87 H new ATOM 0 HE2 LYS A 70 0.369 9.063 -14.839 1.00 2.76 H new ATOM 0 HE3 LYS A 70 1.855 8.905 -15.754 1.00 2.76 H new ATOM 0 HZ1 LYS A 70 1.809 7.112 -14.263 1.00 3.41 H new ATOM 0 HZ2 LYS A 70 2.923 8.202 -13.591 1.00 3.41 H new ATOM 0 HZ3 LYS A 70 1.357 8.085 -12.946 1.00 3.41 H new ATOM 1077 N THR A 71 3.574 14.040 -10.587 1.00 0.73 N ATOM 1078 CA THR A 71 3.879 15.359 -10.047 1.00 0.82 C ATOM 1079 C THR A 71 5.289 15.791 -10.441 1.00 0.82 C ATOM 1080 O THR A 71 5.601 16.981 -10.468 1.00 0.97 O ATOM 1081 CB THR A 71 3.750 15.381 -8.511 1.00 0.76 C ATOM 1082 OG1 THR A 71 2.453 14.913 -8.122 1.00 1.25 O ATOM 1083 CG2 THR A 71 3.969 16.785 -7.966 1.00 1.47 C ATOM 0 H THR A 71 3.340 13.339 -9.884 1.00 0.73 H new ATOM 0 HA THR A 71 3.155 16.056 -10.469 1.00 0.82 H new ATOM 0 HB THR A 71 4.515 14.724 -8.097 1.00 0.76 H new ATOM 0 HG1 THR A 71 2.429 13.935 -8.174 1.00 1.25 H new ATOM 0 HG21 THR A 71 3.873 16.773 -6.880 1.00 1.47 H new ATOM 0 HG22 THR A 71 4.967 17.129 -8.238 1.00 1.47 H new ATOM 0 HG23 THR A 71 3.225 17.460 -8.389 1.00 1.47 H new ATOM 1091 N GLY A 72 6.134 14.812 -10.749 1.00 0.69 N ATOM 1092 CA GLY A 72 7.499 15.105 -11.141 1.00 0.70 C ATOM 1093 C GLY A 72 8.451 15.097 -9.963 1.00 0.60 C ATOM 1094 O GLY A 72 9.632 15.411 -10.111 1.00 0.60 O ATOM 0 H GLY A 72 5.897 13.820 -10.734 1.00 0.69 H new ATOM 0 HA2 GLY A 72 7.829 14.371 -11.876 1.00 0.70 H new ATOM 0 HA3 GLY A 72 7.534 16.080 -11.626 1.00 0.70 H new ATOM 1098 N LYS A 73 7.939 14.736 -8.790 1.00 0.54 N ATOM 1099 CA LYS A 73 8.753 14.690 -7.584 1.00 0.49 C ATOM 1100 C LYS A 73 8.645 13.323 -6.909 1.00 0.40 C ATOM 1101 O LYS A 73 7.565 12.933 -6.469 1.00 0.43 O ATOM 1102 CB LYS A 73 8.314 15.788 -6.612 1.00 0.60 C ATOM 1103 CG LYS A 73 8.613 17.194 -7.106 1.00 1.47 C ATOM 1104 CD LYS A 73 8.165 18.246 -6.104 1.00 1.89 C ATOM 1105 CE LYS A 73 8.510 19.647 -6.579 1.00 2.37 C ATOM 1106 NZ LYS A 73 9.978 19.831 -6.754 1.00 3.05 N ATOM 0 H LYS A 73 6.964 14.471 -8.651 1.00 0.54 H new ATOM 0 HA LYS A 73 9.793 14.855 -7.866 1.00 0.49 H new ATOM 0 HB2 LYS A 73 7.243 15.695 -6.432 1.00 0.60 H new ATOM 0 HB3 LYS A 73 8.812 15.635 -5.655 1.00 0.60 H new ATOM 0 HG2 LYS A 73 9.683 17.296 -7.288 1.00 1.47 H new ATOM 0 HG3 LYS A 73 8.110 17.360 -8.059 1.00 1.47 H new ATOM 0 HD2 LYS A 73 7.089 18.168 -5.949 1.00 1.89 H new ATOM 0 HD3 LYS A 73 8.641 18.059 -5.141 1.00 1.89 H new ATOM 0 HE2 LYS A 73 8.005 19.844 -7.524 1.00 2.37 H new ATOM 0 HE3 LYS A 73 8.136 20.376 -5.860 1.00 2.37 H new ATOM 0 HZ1 LYS A 73 10.196 20.846 -6.811 1.00 3.05 H new ATOM 0 HZ2 LYS A 73 10.479 19.414 -5.944 1.00 3.05 H new ATOM 0 HZ3 LYS A 73 10.285 19.361 -7.630 1.00 3.05 H new ATOM 1120 N PRO A 74 9.763 12.575 -6.812 1.00 0.33 N ATOM 1121 CA PRO A 74 9.764 11.253 -6.180 1.00 0.29 C ATOM 1122 C PRO A 74 9.220 11.302 -4.758 1.00 0.24 C ATOM 1123 O PRO A 74 9.202 12.360 -4.128 1.00 0.27 O ATOM 1124 CB PRO A 74 11.242 10.856 -6.170 1.00 0.33 C ATOM 1125 CG PRO A 74 11.857 11.651 -7.269 1.00 0.51 C ATOM 1126 CD PRO A 74 11.103 12.949 -7.309 1.00 0.38 C ATOM 0 HA PRO A 74 9.128 10.546 -6.713 1.00 0.29 H new ATOM 0 HB2 PRO A 74 11.706 11.083 -5.210 1.00 0.33 H new ATOM 0 HB3 PRO A 74 11.365 9.786 -6.339 1.00 0.33 H new ATOM 0 HG2 PRO A 74 12.917 11.821 -7.082 1.00 0.51 H new ATOM 0 HG3 PRO A 74 11.781 11.126 -8.221 1.00 0.51 H new ATOM 0 HD2 PRO A 74 11.570 13.706 -6.678 1.00 0.38 H new ATOM 0 HD3 PRO A 74 11.059 13.358 -8.318 1.00 0.38 H new ATOM 1134 N ALA A 75 8.777 10.156 -4.257 1.00 0.21 N ATOM 1135 CA ALA A 75 8.233 10.074 -2.913 1.00 0.19 C ATOM 1136 C ALA A 75 9.315 9.647 -1.924 1.00 0.18 C ATOM 1137 O ALA A 75 9.950 8.611 -2.102 1.00 0.19 O ATOM 1138 CB ALA A 75 7.068 9.096 -2.889 1.00 0.23 C ATOM 0 H ALA A 75 8.785 9.271 -4.764 1.00 0.21 H new ATOM 0 HA ALA A 75 7.872 11.058 -2.615 1.00 0.19 H new ATOM 0 HB1 ALA A 75 6.663 9.037 -1.879 1.00 0.23 H new ATOM 0 HB2 ALA A 75 6.291 9.439 -3.572 1.00 0.23 H new ATOM 0 HB3 ALA A 75 7.414 8.110 -3.199 1.00 0.23 H new ATOM 1144 N THR A 76 9.521 10.448 -0.883 1.00 0.18 N ATOM 1145 CA THR A 76 10.538 10.140 0.119 1.00 0.18 C ATOM 1146 C THR A 76 9.956 10.162 1.530 1.00 0.21 C ATOM 1147 O THR A 76 9.578 11.216 2.040 1.00 0.26 O ATOM 1148 CB THR A 76 11.715 11.131 0.048 1.00 0.21 C ATOM 1149 OG1 THR A 76 12.255 11.159 -1.278 1.00 1.15 O ATOM 1150 CG2 THR A 76 12.809 10.747 1.035 1.00 1.26 C ATOM 0 H THR A 76 9.002 11.309 -0.711 1.00 0.18 H new ATOM 0 HA THR A 76 10.900 9.136 -0.103 1.00 0.18 H new ATOM 0 HB THR A 76 11.341 12.121 0.310 1.00 0.21 H new ATOM 0 HG1 THR A 76 13.001 11.793 -1.314 1.00 1.15 H new ATOM 0 HG21 THR A 76 13.629 11.462 0.966 1.00 1.26 H new ATOM 0 HG22 THR A 76 12.405 10.755 2.047 1.00 1.26 H new ATOM 0 HG23 THR A 76 13.177 9.749 0.800 1.00 1.26 H new ATOM 1158 N PHE A 77 9.890 8.989 2.154 1.00 0.20 N ATOM 1159 CA PHE A 77 9.357 8.869 3.507 1.00 0.26 C ATOM 1160 C PHE A 77 9.855 7.592 4.177 1.00 0.26 C ATOM 1161 O PHE A 77 10.352 6.684 3.510 1.00 0.29 O ATOM 1162 CB PHE A 77 7.828 8.862 3.472 1.00 0.28 C ATOM 1163 CG PHE A 77 7.257 7.692 2.723 1.00 0.26 C ATOM 1164 CD1 PHE A 77 7.098 7.748 1.347 1.00 0.25 C ATOM 1165 CD2 PHE A 77 6.885 6.535 3.392 1.00 0.32 C ATOM 1166 CE1 PHE A 77 6.582 6.672 0.652 1.00 0.29 C ATOM 1167 CE2 PHE A 77 6.366 5.458 2.701 1.00 0.36 C ATOM 1168 CZ PHE A 77 6.214 5.526 1.330 1.00 0.34 C ATOM 0 H PHE A 77 10.199 8.108 1.744 1.00 0.20 H new ATOM 0 HA PHE A 77 9.705 9.726 4.084 1.00 0.26 H new ATOM 0 HB2 PHE A 77 7.448 8.851 4.494 1.00 0.28 H new ATOM 0 HB3 PHE A 77 7.478 9.786 3.011 1.00 0.28 H new ATOM 0 HD1 PHE A 77 7.381 8.643 0.813 1.00 0.25 H new ATOM 0 HD2 PHE A 77 7.002 6.476 4.464 1.00 0.32 H new ATOM 0 HE1 PHE A 77 6.466 6.726 -0.420 1.00 0.29 H new ATOM 0 HE2 PHE A 77 6.079 4.563 3.233 1.00 0.36 H new ATOM 0 HZ PHE A 77 5.808 4.684 0.789 1.00 0.34 H new ATOM 1178 N GLN A 78 9.720 7.531 5.497 1.00 0.30 N ATOM 1179 CA GLN A 78 10.134 6.359 6.254 1.00 0.36 C ATOM 1180 C GLN A 78 8.952 5.428 6.484 1.00 0.31 C ATOM 1181 O GLN A 78 7.807 5.864 6.608 1.00 0.35 O ATOM 1182 CB GLN A 78 10.748 6.752 7.590 1.00 0.52 C ATOM 1183 CG GLN A 78 9.883 7.685 8.409 1.00 1.03 C ATOM 1184 CD GLN A 78 10.111 7.531 9.900 1.00 1.02 C ATOM 1185 OE1 GLN A 78 10.376 6.302 10.331 1.00 1.58 O flip ATOM 1186 NE2 GLN A 78 10.036 8.499 10.656 1.00 1.00 N flip ATOM 0 H GLN A 78 9.326 8.282 6.064 1.00 0.30 H new ATOM 0 HA GLN A 78 10.891 5.839 5.668 1.00 0.36 H new ATOM 0 HB2 GLN A 78 10.942 5.849 8.169 1.00 0.52 H new ATOM 0 HB3 GLN A 78 11.711 7.229 7.410 1.00 0.52 H new ATOM 0 HG2 GLN A 78 10.089 8.715 8.118 1.00 1.03 H new ATOM 0 HG3 GLN A 78 8.834 7.494 8.184 1.00 1.03 H new ATOM 0 HE21 GLN A 78 9.830 9.425 10.280 1.00 1.00 H new ATOM 0 HE22 GLN A 78 10.180 8.376 11.658 1.00 1.00 H new ATOM 1195 N VAL A 79 9.257 4.145 6.540 1.00 0.30 N ATOM 1196 CA VAL A 79 8.250 3.099 6.721 1.00 0.31 C ATOM 1197 C VAL A 79 7.446 3.250 8.019 1.00 0.32 C ATOM 1198 O VAL A 79 6.290 2.833 8.078 1.00 0.42 O ATOM 1199 CB VAL A 79 8.909 1.698 6.681 1.00 0.36 C ATOM 1200 CG1 VAL A 79 10.271 1.726 7.353 1.00 1.07 C ATOM 1201 CG2 VAL A 79 8.020 0.647 7.333 1.00 0.90 C ATOM 0 H VAL A 79 10.210 3.791 6.462 1.00 0.30 H new ATOM 0 HA VAL A 79 7.549 3.208 5.893 1.00 0.31 H new ATOM 0 HB VAL A 79 9.040 1.426 5.634 1.00 0.36 H new ATOM 0 HG11 VAL A 79 10.717 0.732 7.314 1.00 1.07 H new ATOM 0 HG12 VAL A 79 10.918 2.434 6.835 1.00 1.07 H new ATOM 0 HG13 VAL A 79 10.157 2.032 8.393 1.00 1.07 H new ATOM 0 HG21 VAL A 79 8.512 -0.325 7.288 1.00 0.90 H new ATOM 0 HG22 VAL A 79 7.842 0.916 8.374 1.00 0.90 H new ATOM 0 HG23 VAL A 79 7.068 0.597 6.804 1.00 0.90 H new ATOM 1211 N SER A 80 8.040 3.845 9.048 1.00 0.30 N ATOM 1212 CA SER A 80 7.353 4.001 10.335 1.00 0.36 C ATOM 1213 C SER A 80 6.475 5.253 10.390 1.00 0.34 C ATOM 1214 O SER A 80 5.800 5.494 11.392 1.00 0.42 O ATOM 1215 CB SER A 80 8.369 4.037 11.479 1.00 0.46 C ATOM 1216 OG SER A 80 7.722 4.177 12.732 1.00 1.14 O ATOM 0 H SER A 80 8.986 4.225 9.022 1.00 0.30 H new ATOM 0 HA SER A 80 6.697 3.137 10.445 1.00 0.36 H new ATOM 0 HB2 SER A 80 8.961 3.122 11.472 1.00 0.46 H new ATOM 0 HB3 SER A 80 9.061 4.866 11.329 1.00 0.46 H new ATOM 0 HG SER A 80 6.840 4.584 12.601 1.00 1.14 H new ATOM 1222 N GLN A 81 6.479 6.046 9.326 1.00 0.31 N ATOM 1223 CA GLN A 81 5.684 7.275 9.296 1.00 0.36 C ATOM 1224 C GLN A 81 4.336 7.086 8.589 1.00 0.32 C ATOM 1225 O GLN A 81 3.598 8.051 8.391 1.00 0.37 O ATOM 1226 CB GLN A 81 6.474 8.398 8.620 1.00 0.46 C ATOM 1227 CG GLN A 81 5.929 9.789 8.906 1.00 1.09 C ATOM 1228 CD GLN A 81 5.981 10.145 10.380 1.00 1.48 C ATOM 1229 OE1 GLN A 81 5.042 9.875 11.130 1.00 2.08 O ATOM 1230 NE2 GLN A 81 7.082 10.759 10.802 1.00 1.80 N ATOM 0 H GLN A 81 7.017 5.866 8.478 1.00 0.31 H new ATOM 0 HA GLN A 81 5.472 7.544 10.331 1.00 0.36 H new ATOM 0 HB2 GLN A 81 7.512 8.349 8.950 1.00 0.46 H new ATOM 0 HB3 GLN A 81 6.474 8.232 7.543 1.00 0.46 H new ATOM 0 HG2 GLN A 81 6.501 10.523 8.338 1.00 1.09 H new ATOM 0 HG3 GLN A 81 4.898 9.850 8.558 1.00 1.09 H new ATOM 0 HE21 GLN A 81 7.836 10.963 10.146 1.00 1.80 H new ATOM 0 HE22 GLN A 81 7.173 11.026 11.782 1.00 1.80 H new ATOM 1239 N VAL A 82 4.008 5.851 8.212 1.00 0.26 N ATOM 1240 CA VAL A 82 2.743 5.585 7.523 1.00 0.26 C ATOM 1241 C VAL A 82 1.781 4.751 8.373 1.00 0.24 C ATOM 1242 O VAL A 82 2.080 4.413 9.518 1.00 0.24 O ATOM 1243 CB VAL A 82 2.975 4.884 6.172 1.00 0.30 C ATOM 1244 CG1 VAL A 82 3.394 5.895 5.115 1.00 0.45 C ATOM 1245 CG2 VAL A 82 4.022 3.790 6.306 1.00 0.25 C ATOM 0 H VAL A 82 4.590 5.028 8.368 1.00 0.26 H new ATOM 0 HA VAL A 82 2.284 6.558 7.347 1.00 0.26 H new ATOM 0 HB VAL A 82 2.038 4.423 5.860 1.00 0.30 H new ATOM 0 HG11 VAL A 82 3.554 5.384 4.166 1.00 0.45 H new ATOM 0 HG12 VAL A 82 2.610 6.643 4.996 1.00 0.45 H new ATOM 0 HG13 VAL A 82 4.318 6.383 5.425 1.00 0.45 H new ATOM 0 HG21 VAL A 82 4.170 3.308 5.340 1.00 0.25 H new ATOM 0 HG22 VAL A 82 4.963 4.226 6.642 1.00 0.25 H new ATOM 0 HG23 VAL A 82 3.685 3.051 7.032 1.00 0.25 H new ATOM 1255 N ILE A 83 0.618 4.433 7.799 1.00 0.25 N ATOM 1256 CA ILE A 83 -0.408 3.650 8.491 1.00 0.26 C ATOM 1257 C ILE A 83 0.127 2.297 8.968 1.00 0.26 C ATOM 1258 O ILE A 83 1.087 1.774 8.402 1.00 0.23 O ATOM 1259 CB ILE A 83 -1.634 3.419 7.583 1.00 0.30 C ATOM 1260 CG1 ILE A 83 -1.197 2.807 6.249 1.00 0.29 C ATOM 1261 CG2 ILE A 83 -2.378 4.728 7.360 1.00 0.32 C ATOM 1262 CD1 ILE A 83 -2.350 2.431 5.341 1.00 0.75 C ATOM 0 H ILE A 83 0.363 4.708 6.851 1.00 0.25 H new ATOM 0 HA ILE A 83 -0.706 4.231 9.364 1.00 0.26 H new ATOM 0 HB ILE A 83 -2.311 2.720 8.075 1.00 0.30 H new ATOM 0 HG12 ILE A 83 -0.553 3.516 5.728 1.00 0.29 H new ATOM 0 HG13 ILE A 83 -0.598 1.918 6.447 1.00 0.29 H new ATOM 0 HG21 ILE A 83 -3.241 4.551 6.718 1.00 0.32 H new ATOM 0 HG22 ILE A 83 -2.714 5.123 8.319 1.00 0.32 H new ATOM 0 HG23 ILE A 83 -1.713 5.448 6.884 1.00 0.32 H new ATOM 0 HD11 ILE A 83 -1.961 2.004 4.416 1.00 0.75 H new ATOM 0 HD12 ILE A 83 -2.983 1.698 5.841 1.00 0.75 H new ATOM 0 HD13 ILE A 83 -2.937 3.320 5.111 1.00 0.75 H new ATOM 1274 N PRO A 84 -0.495 1.710 10.015 1.00 0.32 N ATOM 1275 CA PRO A 84 -0.072 0.419 10.579 1.00 0.34 C ATOM 1276 C PRO A 84 0.242 -0.637 9.521 1.00 0.31 C ATOM 1277 O PRO A 84 1.365 -1.138 9.451 1.00 0.32 O ATOM 1278 CB PRO A 84 -1.276 -0.003 11.419 1.00 0.43 C ATOM 1279 CG PRO A 84 -1.891 1.279 11.858 1.00 0.65 C ATOM 1280 CD PRO A 84 -1.663 2.261 10.737 1.00 0.41 C ATOM 0 HA PRO A 84 0.857 0.515 11.141 1.00 0.34 H new ATOM 0 HB2 PRO A 84 -1.977 -0.600 10.836 1.00 0.43 H new ATOM 0 HB3 PRO A 84 -0.972 -0.610 12.272 1.00 0.43 H new ATOM 0 HG2 PRO A 84 -2.956 1.153 12.054 1.00 0.65 H new ATOM 0 HG3 PRO A 84 -1.436 1.632 12.783 1.00 0.65 H new ATOM 0 HD2 PRO A 84 -2.535 2.336 10.088 1.00 0.41 H new ATOM 0 HD3 PRO A 84 -1.462 3.262 11.118 1.00 0.41 H new ATOM 1288 N GLY A 85 -0.751 -0.981 8.703 1.00 0.31 N ATOM 1289 CA GLY A 85 -0.542 -1.981 7.669 1.00 0.31 C ATOM 1290 C GLY A 85 0.710 -1.720 6.843 1.00 0.27 C ATOM 1291 O GLY A 85 1.543 -2.611 6.659 1.00 0.28 O ATOM 0 H GLY A 85 -1.691 -0.587 8.737 1.00 0.31 H new ATOM 0 HA2 GLY A 85 -0.469 -2.965 8.131 1.00 0.31 H new ATOM 0 HA3 GLY A 85 -1.409 -2.002 7.009 1.00 0.31 H new ATOM 1295 N TRP A 86 0.856 -0.486 6.373 1.00 0.25 N ATOM 1296 CA TRP A 86 2.000 -0.105 5.548 1.00 0.25 C ATOM 1297 C TRP A 86 3.327 -0.261 6.291 1.00 0.24 C ATOM 1298 O TRP A 86 4.298 -0.764 5.728 1.00 0.30 O ATOM 1299 CB TRP A 86 1.842 1.338 5.064 1.00 0.25 C ATOM 1300 CG TRP A 86 1.405 1.453 3.633 1.00 0.21 C ATOM 1301 CD1 TRP A 86 0.474 0.687 2.988 1.00 0.26 C ATOM 1302 CD2 TRP A 86 1.880 2.399 2.670 1.00 0.34 C ATOM 1303 NE1 TRP A 86 0.354 1.093 1.679 1.00 0.19 N ATOM 1304 CE2 TRP A 86 1.203 2.145 1.462 1.00 0.28 C ATOM 1305 CE3 TRP A 86 2.813 3.437 2.711 1.00 0.60 C ATOM 1306 CZ2 TRP A 86 1.433 2.890 0.309 1.00 0.44 C ATOM 1307 CZ3 TRP A 86 3.038 4.176 1.567 1.00 0.78 C ATOM 1308 CH2 TRP A 86 2.350 3.900 0.380 1.00 0.70 C ATOM 0 H TRP A 86 0.195 0.271 6.549 1.00 0.25 H new ATOM 0 HA TRP A 86 2.021 -0.781 4.693 1.00 0.25 H new ATOM 0 HB2 TRP A 86 1.115 1.846 5.698 1.00 0.25 H new ATOM 0 HB3 TRP A 86 2.792 1.859 5.187 1.00 0.25 H new ATOM 0 HD1 TRP A 86 -0.085 -0.119 3.440 1.00 0.26 H new ATOM 0 HE1 TRP A 86 -0.266 0.678 0.984 1.00 0.19 H new ATOM 0 HE3 TRP A 86 3.349 3.658 3.622 1.00 0.60 H new ATOM 0 HZ2 TRP A 86 0.905 2.677 -0.609 1.00 0.44 H new ATOM 0 HZ3 TRP A 86 3.757 4.981 1.588 1.00 0.78 H new ATOM 0 HH2 TRP A 86 2.548 4.498 -0.498 1.00 0.70 H new ATOM 1319 N THR A 87 3.371 0.174 7.549 1.00 0.23 N ATOM 1320 CA THR A 87 4.596 0.082 8.340 1.00 0.26 C ATOM 1321 C THR A 87 5.109 -1.354 8.407 1.00 0.25 C ATOM 1322 O THR A 87 6.316 -1.589 8.434 1.00 0.26 O ATOM 1323 CB THR A 87 4.397 0.599 9.780 1.00 0.33 C ATOM 1324 OG1 THR A 87 3.483 -0.245 10.487 1.00 1.40 O ATOM 1325 CG2 THR A 87 3.878 2.028 9.785 1.00 1.25 C ATOM 0 H THR A 87 2.579 0.590 8.039 1.00 0.23 H new ATOM 0 HA THR A 87 5.328 0.712 7.834 1.00 0.26 H new ATOM 0 HB THR A 87 5.367 0.582 10.277 1.00 0.33 H new ATOM 0 HG1 THR A 87 2.603 -0.205 10.058 1.00 1.40 H new ATOM 0 HG21 THR A 87 3.748 2.364 10.814 1.00 1.25 H new ATOM 0 HG22 THR A 87 4.593 2.677 9.279 1.00 1.25 H new ATOM 0 HG23 THR A 87 2.920 2.069 9.266 1.00 1.25 H new ATOM 1333 N GLU A 88 4.187 -2.310 8.435 1.00 0.25 N ATOM 1334 CA GLU A 88 4.554 -3.719 8.510 1.00 0.28 C ATOM 1335 C GLU A 88 5.187 -4.212 7.208 1.00 0.28 C ATOM 1336 O GLU A 88 6.266 -4.805 7.222 1.00 0.34 O ATOM 1337 CB GLU A 88 3.328 -4.567 8.847 1.00 0.33 C ATOM 1338 CG GLU A 88 3.636 -6.046 9.012 1.00 0.69 C ATOM 1339 CD GLU A 88 4.627 -6.315 10.129 1.00 0.86 C ATOM 1340 OE1 GLU A 88 4.187 -6.502 11.282 1.00 1.43 O ATOM 1341 OE2 GLU A 88 5.845 -6.339 9.849 1.00 1.15 O ATOM 0 H GLU A 88 3.182 -2.135 8.407 1.00 0.25 H new ATOM 0 HA GLU A 88 5.296 -3.822 9.301 1.00 0.28 H new ATOM 0 HB2 GLU A 88 2.880 -4.193 9.768 1.00 0.33 H new ATOM 0 HB3 GLU A 88 2.585 -4.445 8.059 1.00 0.33 H new ATOM 0 HG2 GLU A 88 2.711 -6.586 9.215 1.00 0.69 H new ATOM 0 HG3 GLU A 88 4.035 -6.437 8.076 1.00 0.69 H new ATOM 1348 N ALA A 89 4.515 -3.965 6.085 1.00 0.26 N ATOM 1349 CA ALA A 89 5.015 -4.410 4.784 1.00 0.29 C ATOM 1350 C ALA A 89 6.313 -3.709 4.388 1.00 0.29 C ATOM 1351 O ALA A 89 7.296 -4.360 4.037 1.00 0.33 O ATOM 1352 CB ALA A 89 3.960 -4.201 3.710 1.00 0.29 C ATOM 0 H ALA A 89 3.628 -3.462 6.048 1.00 0.26 H new ATOM 0 HA ALA A 89 5.235 -5.474 4.875 1.00 0.29 H new ATOM 0 HB1 ALA A 89 4.348 -4.537 2.748 1.00 0.29 H new ATOM 0 HB2 ALA A 89 3.067 -4.773 3.961 1.00 0.29 H new ATOM 0 HB3 ALA A 89 3.707 -3.142 3.649 1.00 0.29 H new ATOM 1358 N LEU A 90 6.306 -2.381 4.435 1.00 0.28 N ATOM 1359 CA LEU A 90 7.481 -1.593 4.072 1.00 0.31 C ATOM 1360 C LEU A 90 8.699 -1.979 4.911 1.00 0.35 C ATOM 1361 O LEU A 90 9.839 -1.827 4.469 1.00 0.39 O ATOM 1362 CB LEU A 90 7.186 -0.098 4.237 1.00 0.33 C ATOM 1363 CG LEU A 90 6.518 0.584 3.039 1.00 0.33 C ATOM 1364 CD1 LEU A 90 7.492 0.694 1.877 1.00 0.39 C ATOM 1365 CD2 LEU A 90 5.261 -0.165 2.616 1.00 0.32 C ATOM 0 H LEU A 90 5.499 -1.826 4.721 1.00 0.28 H new ATOM 0 HA LEU A 90 7.712 -1.805 3.028 1.00 0.31 H new ATOM 0 HB2 LEU A 90 6.546 0.033 5.109 1.00 0.33 H new ATOM 0 HB3 LEU A 90 8.123 0.417 4.449 1.00 0.33 H new ATOM 0 HG LEU A 90 6.225 1.590 3.341 1.00 0.33 H new ATOM 0 HD11 LEU A 90 7.000 1.181 1.035 1.00 0.39 H new ATOM 0 HD12 LEU A 90 8.357 1.283 2.182 1.00 0.39 H new ATOM 0 HD13 LEU A 90 7.818 -0.303 1.580 1.00 0.39 H new ATOM 0 HD21 LEU A 90 4.806 0.340 1.764 1.00 0.32 H new ATOM 0 HD22 LEU A 90 5.522 -1.185 2.336 1.00 0.32 H new ATOM 0 HD23 LEU A 90 4.554 -0.186 3.445 1.00 0.32 H new ATOM 1377 N GLN A 91 8.454 -2.480 6.117 1.00 0.37 N ATOM 1378 CA GLN A 91 9.538 -2.880 7.011 1.00 0.43 C ATOM 1379 C GLN A 91 10.282 -4.097 6.466 1.00 0.39 C ATOM 1380 O GLN A 91 11.445 -4.328 6.802 1.00 0.43 O ATOM 1381 CB GLN A 91 8.986 -3.187 8.406 1.00 0.52 C ATOM 1382 CG GLN A 91 10.054 -3.603 9.405 1.00 1.07 C ATOM 1383 CD GLN A 91 9.483 -3.925 10.772 1.00 1.32 C ATOM 1384 OE1 GLN A 91 8.474 -3.353 11.186 1.00 1.87 O ATOM 1385 NE2 GLN A 91 10.126 -4.847 11.479 1.00 1.80 N ATOM 0 H GLN A 91 7.518 -2.619 6.498 1.00 0.37 H new ATOM 0 HA GLN A 91 10.243 -2.051 7.077 1.00 0.43 H new ATOM 0 HB2 GLN A 91 8.469 -2.305 8.785 1.00 0.52 H new ATOM 0 HB3 GLN A 91 8.244 -3.982 8.327 1.00 0.52 H new ATOM 0 HG2 GLN A 91 10.584 -4.475 9.022 1.00 1.07 H new ATOM 0 HG3 GLN A 91 10.787 -2.802 9.501 1.00 1.07 H new ATOM 0 HE21 GLN A 91 10.958 -5.295 11.096 1.00 1.80 H new ATOM 0 HE22 GLN A 91 9.787 -5.107 12.405 1.00 1.80 H new ATOM 1394 N LEU A 92 9.608 -4.869 5.621 1.00 0.37 N ATOM 1395 CA LEU A 92 10.204 -6.066 5.034 1.00 0.36 C ATOM 1396 C LEU A 92 10.680 -5.812 3.605 1.00 0.32 C ATOM 1397 O LEU A 92 11.339 -6.662 3.008 1.00 0.39 O ATOM 1398 CB LEU A 92 9.196 -7.218 5.048 1.00 0.38 C ATOM 1399 CG LEU A 92 8.857 -7.769 6.435 1.00 0.59 C ATOM 1400 CD1 LEU A 92 7.685 -8.734 6.353 1.00 1.17 C ATOM 1401 CD2 LEU A 92 10.071 -8.456 7.043 1.00 1.31 C ATOM 0 H LEU A 92 8.648 -4.688 5.326 1.00 0.37 H new ATOM 0 HA LEU A 92 11.072 -6.334 5.637 1.00 0.36 H new ATOM 0 HB2 LEU A 92 8.275 -6.880 4.574 1.00 0.38 H new ATOM 0 HB3 LEU A 92 9.589 -8.031 4.437 1.00 0.38 H new ATOM 0 HG LEU A 92 8.572 -6.936 7.078 1.00 0.59 H new ATOM 0 HD11 LEU A 92 7.458 -9.116 7.348 1.00 1.17 H new ATOM 0 HD12 LEU A 92 6.813 -8.214 5.956 1.00 1.17 H new ATOM 0 HD13 LEU A 92 7.943 -9.565 5.696 1.00 1.17 H new ATOM 0 HD21 LEU A 92 9.814 -8.843 8.029 1.00 1.31 H new ATOM 0 HD22 LEU A 92 10.383 -9.279 6.400 1.00 1.31 H new ATOM 0 HD23 LEU A 92 10.887 -7.739 7.135 1.00 1.31 H new ATOM 1413 N MET A 93 10.346 -4.644 3.061 1.00 0.31 N ATOM 1414 CA MET A 93 10.739 -4.292 1.704 1.00 0.33 C ATOM 1415 C MET A 93 12.217 -3.892 1.639 1.00 0.23 C ATOM 1416 O MET A 93 12.602 -2.844 2.157 1.00 0.23 O ATOM 1417 CB MET A 93 9.863 -3.151 1.190 1.00 0.45 C ATOM 1418 CG MET A 93 8.433 -3.574 0.895 1.00 1.05 C ATOM 1419 SD MET A 93 7.454 -2.253 0.155 1.00 1.05 S ATOM 1420 CE MET A 93 5.834 -3.014 0.122 1.00 1.66 C ATOM 0 H MET A 93 9.804 -3.926 3.542 1.00 0.31 H new ATOM 0 HA MET A 93 10.601 -5.169 1.071 1.00 0.33 H new ATOM 0 HB2 MET A 93 9.852 -2.350 1.929 1.00 0.45 H new ATOM 0 HB3 MET A 93 10.308 -2.742 0.283 1.00 0.45 H new ATOM 0 HG2 MET A 93 8.444 -4.432 0.223 1.00 1.05 H new ATOM 0 HG3 MET A 93 7.957 -3.899 1.820 1.00 1.05 H new ATOM 0 HE1 MET A 93 5.571 -3.266 -0.905 1.00 1.66 H new ATOM 0 HE2 MET A 93 5.846 -3.921 0.726 1.00 1.66 H new ATOM 0 HE3 MET A 93 5.097 -2.319 0.525 1.00 1.66 H new ATOM 1430 N PRO A 94 13.065 -4.726 1.000 1.00 0.25 N ATOM 1431 CA PRO A 94 14.499 -4.454 0.869 1.00 0.23 C ATOM 1432 C PRO A 94 14.824 -3.559 -0.324 1.00 0.21 C ATOM 1433 O PRO A 94 14.147 -3.608 -1.346 1.00 0.21 O ATOM 1434 CB PRO A 94 15.075 -5.848 0.658 1.00 0.31 C ATOM 1435 CG PRO A 94 14.020 -6.562 -0.111 1.00 0.44 C ATOM 1436 CD PRO A 94 12.698 -6.008 0.361 1.00 0.37 C ATOM 0 HA PRO A 94 14.901 -3.920 1.730 1.00 0.23 H new ATOM 0 HB2 PRO A 94 16.015 -5.812 0.107 1.00 0.31 H new ATOM 0 HB3 PRO A 94 15.281 -6.343 1.607 1.00 0.31 H new ATOM 0 HG2 PRO A 94 14.147 -6.404 -1.182 1.00 0.44 H new ATOM 0 HG3 PRO A 94 14.074 -7.637 0.062 1.00 0.44 H new ATOM 0 HD2 PRO A 94 12.007 -5.859 -0.469 1.00 0.37 H new ATOM 0 HD3 PRO A 94 12.210 -6.682 1.065 1.00 0.37 H new ATOM 1444 N ALA A 95 15.864 -2.738 -0.180 1.00 0.24 N ATOM 1445 CA ALA A 95 16.288 -1.828 -1.242 1.00 0.27 C ATOM 1446 C ALA A 95 16.342 -2.521 -2.605 1.00 0.27 C ATOM 1447 O ALA A 95 16.912 -3.598 -2.738 1.00 0.31 O ATOM 1448 CB ALA A 95 17.650 -1.241 -0.903 1.00 0.36 C ATOM 0 H ALA A 95 16.430 -2.685 0.667 1.00 0.24 H new ATOM 0 HA ALA A 95 15.548 -1.031 -1.310 1.00 0.27 H new ATOM 0 HB1 ALA A 95 17.962 -0.563 -1.698 1.00 0.36 H new ATOM 0 HB2 ALA A 95 17.586 -0.693 0.037 1.00 0.36 H new ATOM 0 HB3 ALA A 95 18.379 -2.046 -0.805 1.00 0.36 H new ATOM 1454 N GLY A 96 15.739 -1.895 -3.614 1.00 0.27 N ATOM 1455 CA GLY A 96 15.750 -2.459 -4.955 1.00 0.28 C ATOM 1456 C GLY A 96 14.589 -3.400 -5.229 1.00 0.28 C ATOM 1457 O GLY A 96 14.351 -3.774 -6.378 1.00 0.34 O ATOM 0 H GLY A 96 15.243 -1.008 -3.527 1.00 0.27 H new ATOM 0 HA2 GLY A 96 15.728 -1.647 -5.682 1.00 0.28 H new ATOM 0 HA3 GLY A 96 16.686 -2.997 -5.106 1.00 0.28 H new ATOM 1461 N SER A 97 13.865 -3.786 -4.182 1.00 0.24 N ATOM 1462 CA SER A 97 12.729 -4.695 -4.334 1.00 0.24 C ATOM 1463 C SER A 97 11.585 -4.030 -5.097 1.00 0.19 C ATOM 1464 O SER A 97 11.707 -2.896 -5.559 1.00 0.21 O ATOM 1465 CB SER A 97 12.231 -5.164 -2.968 1.00 0.28 C ATOM 1466 OG SER A 97 11.732 -4.079 -2.206 1.00 1.41 O ATOM 0 H SER A 97 14.042 -3.486 -3.223 1.00 0.24 H new ATOM 0 HA SER A 97 13.072 -5.557 -4.907 1.00 0.24 H new ATOM 0 HB2 SER A 97 11.448 -5.910 -3.100 1.00 0.28 H new ATOM 0 HB3 SER A 97 13.045 -5.648 -2.428 1.00 0.28 H new ATOM 0 HG SER A 97 12.390 -3.828 -1.524 1.00 1.41 H new ATOM 1472 N THR A 98 10.468 -4.749 -5.215 1.00 0.17 N ATOM 1473 CA THR A 98 9.293 -4.243 -5.922 1.00 0.14 C ATOM 1474 C THR A 98 8.046 -5.029 -5.532 1.00 0.13 C ATOM 1475 O THR A 98 7.787 -6.107 -6.069 1.00 0.23 O ATOM 1476 CB THR A 98 9.473 -4.335 -7.449 1.00 0.16 C ATOM 1477 OG1 THR A 98 10.740 -3.787 -7.831 1.00 0.20 O ATOM 1478 CG2 THR A 98 8.357 -3.597 -8.175 1.00 0.18 C ATOM 0 H THR A 98 10.353 -5.686 -4.829 1.00 0.17 H new ATOM 0 HA THR A 98 9.176 -3.198 -5.636 1.00 0.14 H new ATOM 0 HB THR A 98 9.434 -5.387 -7.730 1.00 0.16 H new ATOM 0 HG1 THR A 98 11.021 -3.120 -7.170 1.00 0.20 H new ATOM 0 HG21 THR A 98 8.508 -3.677 -9.252 1.00 0.18 H new ATOM 0 HG22 THR A 98 7.396 -4.038 -7.909 1.00 0.18 H new ATOM 0 HG23 THR A 98 8.367 -2.546 -7.885 1.00 0.18 H new ATOM 1486 N TRP A 99 7.273 -4.482 -4.599 1.00 0.16 N ATOM 1487 CA TRP A 99 6.057 -5.140 -4.134 1.00 0.15 C ATOM 1488 C TRP A 99 4.823 -4.279 -4.384 1.00 0.16 C ATOM 1489 O TRP A 99 4.902 -3.052 -4.423 1.00 0.18 O ATOM 1490 CB TRP A 99 6.145 -5.429 -2.634 1.00 0.19 C ATOM 1491 CG TRP A 99 7.078 -6.541 -2.257 1.00 0.17 C ATOM 1492 CD1 TRP A 99 7.831 -7.321 -3.087 1.00 0.25 C ATOM 1493 CD2 TRP A 99 7.346 -6.995 -0.927 1.00 0.26 C ATOM 1494 NE1 TRP A 99 8.553 -8.231 -2.351 1.00 0.29 N ATOM 1495 CE2 TRP A 99 8.271 -8.050 -1.022 1.00 0.28 C ATOM 1496 CE3 TRP A 99 6.889 -6.607 0.336 1.00 0.42 C ATOM 1497 CZ2 TRP A 99 8.749 -8.722 0.102 1.00 0.38 C ATOM 1498 CZ3 TRP A 99 7.364 -7.273 1.449 1.00 0.53 C ATOM 1499 CH2 TRP A 99 8.284 -8.320 1.326 1.00 0.49 C ATOM 0 H TRP A 99 7.467 -3.586 -4.151 1.00 0.16 H new ATOM 0 HA TRP A 99 5.965 -6.070 -4.694 1.00 0.15 H new ATOM 0 HB2 TRP A 99 6.461 -4.520 -2.122 1.00 0.19 H new ATOM 0 HB3 TRP A 99 5.148 -5.671 -2.267 1.00 0.19 H new ATOM 0 HD1 TRP A 99 7.856 -7.236 -4.163 1.00 0.25 H new ATOM 0 HE1 TRP A 99 9.194 -8.927 -2.732 1.00 0.29 H new ATOM 0 HE3 TRP A 99 6.177 -5.801 0.440 1.00 0.42 H new ATOM 0 HZ2 TRP A 99 9.460 -9.530 0.011 1.00 0.38 H new ATOM 0 HZ3 TRP A 99 7.020 -6.981 2.430 1.00 0.53 H new ATOM 0 HH2 TRP A 99 8.635 -8.822 2.215 1.00 0.49 H new ATOM 1510 N GLU A 100 3.685 -4.941 -4.550 1.00 0.17 N ATOM 1511 CA GLU A 100 2.415 -4.256 -4.746 1.00 0.20 C ATOM 1512 C GLU A 100 1.454 -4.700 -3.652 1.00 0.19 C ATOM 1513 O GLU A 100 0.971 -5.832 -3.657 1.00 0.19 O ATOM 1514 CB GLU A 100 1.841 -4.553 -6.138 1.00 0.27 C ATOM 1515 CG GLU A 100 1.575 -6.028 -6.396 1.00 0.95 C ATOM 1516 CD GLU A 100 1.255 -6.318 -7.849 1.00 0.95 C ATOM 1517 OE1 GLU A 100 0.076 -6.183 -8.236 1.00 1.20 O ATOM 1518 OE2 GLU A 100 2.185 -6.684 -8.599 1.00 1.37 O ATOM 0 H GLU A 100 3.617 -5.959 -4.553 1.00 0.17 H new ATOM 0 HA GLU A 100 2.565 -3.178 -4.685 1.00 0.20 H new ATOM 0 HB2 GLU A 100 0.910 -4.000 -6.261 1.00 0.27 H new ATOM 0 HB3 GLU A 100 2.535 -4.182 -6.892 1.00 0.27 H new ATOM 0 HG2 GLU A 100 2.448 -6.608 -6.097 1.00 0.95 H new ATOM 0 HG3 GLU A 100 0.744 -6.358 -5.772 1.00 0.95 H new ATOM 1525 N ILE A 101 1.172 -3.806 -2.714 1.00 0.18 N ATOM 1526 CA ILE A 101 0.309 -4.143 -1.593 1.00 0.18 C ATOM 1527 C ILE A 101 -1.074 -3.516 -1.691 1.00 0.18 C ATOM 1528 O ILE A 101 -1.237 -2.376 -2.125 1.00 0.19 O ATOM 1529 CB ILE A 101 0.949 -3.722 -0.257 1.00 0.20 C ATOM 1530 CG1 ILE A 101 1.276 -2.226 -0.274 1.00 0.18 C ATOM 1531 CG2 ILE A 101 2.201 -4.547 0.011 1.00 0.25 C ATOM 1532 CD1 ILE A 101 1.849 -1.713 1.029 1.00 0.22 C ATOM 0 H ILE A 101 1.526 -2.849 -2.707 1.00 0.18 H new ATOM 0 HA ILE A 101 0.191 -5.226 -1.631 1.00 0.18 H new ATOM 0 HB ILE A 101 0.238 -3.908 0.548 1.00 0.20 H new ATOM 0 HG12 ILE A 101 1.987 -2.028 -1.076 1.00 0.18 H new ATOM 0 HG13 ILE A 101 0.369 -1.668 -0.507 1.00 0.18 H new ATOM 0 HG21 ILE A 101 2.644 -4.239 0.958 1.00 0.25 H new ATOM 0 HG22 ILE A 101 1.937 -5.603 0.060 1.00 0.25 H new ATOM 0 HG23 ILE A 101 2.920 -4.389 -0.793 1.00 0.25 H new ATOM 0 HD11 ILE A 101 2.055 -0.646 0.941 1.00 0.22 H new ATOM 0 HD12 ILE A 101 1.131 -1.878 1.832 1.00 0.22 H new ATOM 0 HD13 ILE A 101 2.774 -2.244 1.254 1.00 0.22 H new ATOM 1544 N TYR A 102 -2.063 -4.295 -1.277 1.00 0.21 N ATOM 1545 CA TYR A 102 -3.452 -3.867 -1.257 1.00 0.22 C ATOM 1546 C TYR A 102 -3.998 -4.071 0.154 1.00 0.22 C ATOM 1547 O TYR A 102 -4.289 -5.196 0.559 1.00 0.21 O ATOM 1548 CB TYR A 102 -4.263 -4.663 -2.287 1.00 0.21 C ATOM 1549 CG TYR A 102 -3.712 -6.048 -2.552 1.00 0.22 C ATOM 1550 CD1 TYR A 102 -4.100 -7.126 -1.770 1.00 0.24 C ATOM 1551 CD2 TYR A 102 -2.801 -6.278 -3.583 1.00 0.22 C ATOM 1552 CE1 TYR A 102 -3.600 -8.391 -2.001 1.00 0.27 C ATOM 1553 CE2 TYR A 102 -2.300 -7.543 -3.819 1.00 0.25 C ATOM 1554 CZ TYR A 102 -2.702 -8.594 -3.025 1.00 0.27 C ATOM 1555 OH TYR A 102 -2.203 -9.854 -3.258 1.00 0.31 O ATOM 0 H TYR A 102 -1.922 -5.248 -0.943 1.00 0.21 H new ATOM 0 HA TYR A 102 -3.529 -2.813 -1.523 1.00 0.22 H new ATOM 0 HB2 TYR A 102 -5.292 -4.751 -1.938 1.00 0.21 H new ATOM 0 HB3 TYR A 102 -4.291 -4.107 -3.224 1.00 0.21 H new ATOM 0 HD1 TYR A 102 -4.805 -6.973 -0.967 1.00 0.24 H new ATOM 0 HD2 TYR A 102 -2.483 -5.455 -4.206 1.00 0.22 H new ATOM 0 HE1 TYR A 102 -3.912 -9.219 -1.381 1.00 0.27 H new ATOM 0 HE2 TYR A 102 -1.597 -7.707 -4.622 1.00 0.25 H new ATOM 0 HH TYR A 102 -1.583 -9.825 -4.016 1.00 0.31 H new ATOM 1565 N VAL A 103 -4.131 -2.978 0.900 1.00 0.26 N ATOM 1566 CA VAL A 103 -4.585 -3.050 2.286 1.00 0.29 C ATOM 1567 C VAL A 103 -6.024 -2.563 2.473 1.00 0.29 C ATOM 1568 O VAL A 103 -6.299 -1.371 2.339 1.00 0.38 O ATOM 1569 CB VAL A 103 -3.676 -2.200 3.195 1.00 0.39 C ATOM 1570 CG1 VAL A 103 -3.889 -2.564 4.656 1.00 0.52 C ATOM 1571 CG2 VAL A 103 -2.216 -2.368 2.800 1.00 0.33 C ATOM 0 H VAL A 103 -3.931 -2.034 0.569 1.00 0.26 H new ATOM 0 HA VAL A 103 -4.540 -4.105 2.558 1.00 0.29 H new ATOM 0 HB VAL A 103 -3.943 -1.151 3.065 1.00 0.39 H new ATOM 0 HG11 VAL A 103 -3.238 -1.953 5.282 1.00 0.52 H new ATOM 0 HG12 VAL A 103 -4.929 -2.383 4.928 1.00 0.52 H new ATOM 0 HG13 VAL A 103 -3.653 -3.617 4.807 1.00 0.52 H new ATOM 0 HG21 VAL A 103 -1.590 -1.760 3.453 1.00 0.33 H new ATOM 0 HG22 VAL A 103 -1.931 -3.416 2.897 1.00 0.33 H new ATOM 0 HG23 VAL A 103 -2.080 -2.049 1.767 1.00 0.33 H new ATOM 1581 N PRO A 104 -6.965 -3.478 2.789 1.00 0.28 N ATOM 1582 CA PRO A 104 -8.361 -3.111 3.040 1.00 0.34 C ATOM 1583 C PRO A 104 -8.477 -2.175 4.243 1.00 0.34 C ATOM 1584 O PRO A 104 -7.632 -2.208 5.135 1.00 0.31 O ATOM 1585 CB PRO A 104 -9.059 -4.448 3.319 1.00 0.39 C ATOM 1586 CG PRO A 104 -7.966 -5.401 3.657 1.00 0.48 C ATOM 1587 CD PRO A 104 -6.752 -4.932 2.908 1.00 0.33 C ATOM 0 HA PRO A 104 -8.805 -2.575 2.201 1.00 0.34 H new ATOM 0 HB2 PRO A 104 -9.769 -4.357 4.141 1.00 0.39 H new ATOM 0 HB3 PRO A 104 -9.621 -4.787 2.449 1.00 0.39 H new ATOM 0 HG2 PRO A 104 -7.780 -5.414 4.731 1.00 0.48 H new ATOM 0 HG3 PRO A 104 -8.233 -6.417 3.368 1.00 0.48 H new ATOM 0 HD2 PRO A 104 -5.833 -5.161 3.448 1.00 0.33 H new ATOM 0 HD3 PRO A 104 -6.674 -5.408 1.931 1.00 0.33 H new ATOM 1595 N SER A 105 -9.507 -1.337 4.256 1.00 0.45 N ATOM 1596 CA SER A 105 -9.711 -0.372 5.340 1.00 0.51 C ATOM 1597 C SER A 105 -9.560 -0.999 6.731 1.00 0.44 C ATOM 1598 O SER A 105 -8.946 -0.406 7.617 1.00 0.48 O ATOM 1599 CB SER A 105 -11.095 0.262 5.222 1.00 0.66 C ATOM 1600 OG SER A 105 -11.996 -0.603 4.551 1.00 1.81 O ATOM 0 H SER A 105 -10.219 -1.303 3.526 1.00 0.45 H new ATOM 0 HA SER A 105 -8.934 0.385 5.235 1.00 0.51 H new ATOM 0 HB2 SER A 105 -11.479 0.493 6.216 1.00 0.66 H new ATOM 0 HB3 SER A 105 -11.021 1.206 4.682 1.00 0.66 H new ATOM 0 HG SER A 105 -11.999 -0.393 3.594 1.00 1.81 H new ATOM 1606 N GLY A 106 -10.107 -2.194 6.914 1.00 0.38 N ATOM 1607 CA GLY A 106 -10.040 -2.861 8.208 1.00 0.36 C ATOM 1608 C GLY A 106 -8.623 -3.071 8.720 1.00 0.36 C ATOM 1609 O GLY A 106 -8.431 -3.469 9.869 1.00 0.40 O ATOM 0 H GLY A 106 -10.598 -2.718 6.189 1.00 0.38 H new ATOM 0 HA2 GLY A 106 -10.596 -2.273 8.938 1.00 0.36 H new ATOM 0 HA3 GLY A 106 -10.536 -3.829 8.133 1.00 0.36 H new ATOM 1613 N LEU A 107 -7.633 -2.812 7.875 1.00 0.37 N ATOM 1614 CA LEU A 107 -6.233 -3.008 8.250 1.00 0.42 C ATOM 1615 C LEU A 107 -5.467 -1.688 8.326 1.00 0.45 C ATOM 1616 O LEU A 107 -4.315 -1.657 8.761 1.00 0.57 O ATOM 1617 CB LEU A 107 -5.553 -3.948 7.256 1.00 0.61 C ATOM 1618 CG LEU A 107 -5.828 -5.438 7.465 1.00 1.21 C ATOM 1619 CD1 LEU A 107 -7.321 -5.734 7.453 1.00 2.35 C ATOM 1620 CD2 LEU A 107 -5.123 -6.252 6.397 1.00 1.60 C ATOM 0 H LEU A 107 -7.771 -2.466 6.925 1.00 0.37 H new ATOM 0 HA LEU A 107 -6.220 -3.452 9.245 1.00 0.42 H new ATOM 0 HB2 LEU A 107 -5.870 -3.675 6.249 1.00 0.61 H new ATOM 0 HB3 LEU A 107 -4.476 -3.785 7.306 1.00 0.61 H new ATOM 0 HG LEU A 107 -5.440 -5.718 8.444 1.00 1.21 H new ATOM 0 HD11 LEU A 107 -7.482 -6.801 7.604 1.00 2.35 H new ATOM 0 HD12 LEU A 107 -7.809 -5.177 8.253 1.00 2.35 H new ATOM 0 HD13 LEU A 107 -7.743 -5.436 6.493 1.00 2.35 H new ATOM 0 HD21 LEU A 107 -5.325 -7.311 6.555 1.00 1.60 H new ATOM 0 HD22 LEU A 107 -5.488 -5.955 5.414 1.00 1.60 H new ATOM 0 HD23 LEU A 107 -4.049 -6.075 6.454 1.00 1.60 H new ATOM 1632 N ALA A 108 -6.103 -0.605 7.901 1.00 0.45 N ATOM 1633 CA ALA A 108 -5.470 0.709 7.932 1.00 0.60 C ATOM 1634 C ALA A 108 -6.121 1.595 8.992 1.00 0.67 C ATOM 1635 O ALA A 108 -5.874 1.422 10.186 1.00 1.03 O ATOM 1636 CB ALA A 108 -5.533 1.362 6.559 1.00 0.66 C ATOM 0 H ALA A 108 -7.054 -0.609 7.532 1.00 0.45 H new ATOM 0 HA ALA A 108 -4.421 0.583 8.199 1.00 0.60 H new ATOM 0 HB1 ALA A 108 -5.056 2.341 6.600 1.00 0.66 H new ATOM 0 HB2 ALA A 108 -5.013 0.735 5.834 1.00 0.66 H new ATOM 0 HB3 ALA A 108 -6.574 1.477 6.258 1.00 0.66 H new ATOM 1642 N TYR A 109 -6.947 2.543 8.559 1.00 0.54 N ATOM 1643 CA TYR A 109 -7.628 3.433 9.488 1.00 0.68 C ATOM 1644 C TYR A 109 -8.987 2.862 9.871 1.00 1.04 C ATOM 1645 O TYR A 109 -9.619 3.315 10.827 1.00 1.44 O ATOM 1646 CB TYR A 109 -7.779 4.827 8.883 1.00 0.59 C ATOM 1647 CG TYR A 109 -6.718 5.794 9.353 1.00 0.56 C ATOM 1648 CD1 TYR A 109 -6.834 6.431 10.581 1.00 0.72 C ATOM 1649 CD2 TYR A 109 -5.598 6.067 8.576 1.00 0.56 C ATOM 1650 CE1 TYR A 109 -5.868 7.314 11.023 1.00 0.98 C ATOM 1651 CE2 TYR A 109 -4.626 6.948 9.011 1.00 0.79 C ATOM 1652 CZ TYR A 109 -4.766 7.569 10.235 1.00 1.03 C ATOM 1653 OH TYR A 109 -3.800 8.447 10.670 1.00 1.35 O ATOM 0 H TYR A 109 -7.159 2.713 7.576 1.00 0.54 H new ATOM 0 HA TYR A 109 -7.024 3.518 10.391 1.00 0.68 H new ATOM 0 HB2 TYR A 109 -7.738 4.752 7.796 1.00 0.59 H new ATOM 0 HB3 TYR A 109 -8.762 5.223 9.138 1.00 0.59 H new ATOM 0 HD1 TYR A 109 -7.695 6.233 11.202 1.00 0.72 H new ATOM 0 HD2 TYR A 109 -5.486 5.583 7.617 1.00 0.56 H new ATOM 0 HE1 TYR A 109 -5.975 7.802 11.981 1.00 0.98 H new ATOM 0 HE2 TYR A 109 -3.761 7.149 8.396 1.00 0.79 H new ATOM 0 HH TYR A 109 -3.091 8.513 9.997 1.00 1.35 H new ATOM 1663 N GLY A 110 -9.431 1.863 9.112 1.00 1.04 N ATOM 1664 CA GLY A 110 -10.700 1.217 9.392 1.00 1.58 C ATOM 1665 C GLY A 110 -11.823 1.651 8.460 1.00 0.83 C ATOM 1666 O GLY A 110 -11.883 2.811 8.054 1.00 0.93 O ATOM 0 H GLY A 110 -8.931 1.489 8.305 1.00 1.04 H new ATOM 0 HA2 GLY A 110 -10.573 0.137 9.316 1.00 1.58 H new ATOM 0 HA3 GLY A 110 -10.989 1.433 10.421 1.00 1.58 H new ATOM 1670 N PRO A 111 -12.734 0.720 8.107 1.00 0.51 N ATOM 1671 CA PRO A 111 -13.879 0.992 7.226 1.00 0.83 C ATOM 1672 C PRO A 111 -14.785 2.100 7.757 1.00 1.02 C ATOM 1673 O PRO A 111 -15.705 2.540 7.074 1.00 1.49 O ATOM 1674 CB PRO A 111 -14.640 -0.341 7.185 1.00 1.41 C ATOM 1675 CG PRO A 111 -14.127 -1.118 8.345 1.00 1.39 C ATOM 1676 CD PRO A 111 -12.702 -0.693 8.512 1.00 0.88 C ATOM 0 HA PRO A 111 -13.549 1.340 6.247 1.00 0.83 H new ATOM 0 HB2 PRO A 111 -15.716 -0.183 7.262 1.00 1.41 H new ATOM 0 HB3 PRO A 111 -14.461 -0.868 6.248 1.00 1.41 H new ATOM 0 HG2 PRO A 111 -14.707 -0.910 9.244 1.00 1.39 H new ATOM 0 HG3 PRO A 111 -14.198 -2.190 8.161 1.00 1.39 H new ATOM 0 HD2 PRO A 111 -12.363 -0.811 9.541 1.00 0.88 H new ATOM 0 HD3 PRO A 111 -12.029 -1.278 7.885 1.00 0.88 H new ATOM 1684 N ARG A 112 -14.517 2.556 8.972 1.00 0.94 N ATOM 1685 CA ARG A 112 -15.329 3.602 9.581 1.00 1.23 C ATOM 1686 C ARG A 112 -14.996 4.956 8.968 1.00 0.85 C ATOM 1687 O ARG A 112 -14.051 5.080 8.188 1.00 0.72 O ATOM 1688 CB ARG A 112 -15.093 3.642 11.092 1.00 1.70 C ATOM 1689 CG ARG A 112 -15.369 2.319 11.787 1.00 2.18 C ATOM 1690 CD ARG A 112 -15.081 2.405 13.276 1.00 2.28 C ATOM 1691 NE ARG A 112 -15.363 1.146 13.961 1.00 2.49 N ATOM 1692 CZ ARG A 112 -14.755 0.763 15.081 1.00 2.87 C ATOM 1693 NH1 ARG A 112 -13.829 1.533 15.635 1.00 3.00 N ATOM 1694 NH2 ARG A 112 -15.075 -0.392 15.646 1.00 3.51 N ATOM 0 H ARG A 112 -13.749 2.221 9.553 1.00 0.94 H new ATOM 0 HA ARG A 112 -16.379 3.379 9.392 1.00 1.23 H new ATOM 0 HB2 ARG A 112 -14.060 3.934 11.282 1.00 1.70 H new ATOM 0 HB3 ARG A 112 -15.728 4.412 11.530 1.00 1.70 H new ATOM 0 HG2 ARG A 112 -16.410 2.035 11.632 1.00 2.18 H new ATOM 0 HG3 ARG A 112 -14.755 1.537 11.341 1.00 2.18 H new ATOM 0 HD2 ARG A 112 -14.036 2.674 13.428 1.00 2.28 H new ATOM 0 HD3 ARG A 112 -15.683 3.200 13.716 1.00 2.28 H new ATOM 0 HE ARG A 112 -16.065 0.526 13.558 1.00 2.49 H new ATOM 0 HH11 ARG A 112 -13.580 2.423 15.203 1.00 3.00 H new ATOM 0 HH12 ARG A 112 -13.365 1.236 16.494 1.00 3.00 H new ATOM 0 HH21 ARG A 112 -15.787 -0.987 15.222 1.00 3.51 H new ATOM 0 HH22 ARG A 112 -14.609 -0.686 16.504 1.00 3.51 H new ATOM 1708 N SER A 113 -15.792 5.967 9.311 1.00 0.87 N ATOM 1709 CA SER A 113 -15.603 7.318 8.786 1.00 0.75 C ATOM 1710 C SER A 113 -14.264 7.922 9.212 1.00 0.91 C ATOM 1711 O SER A 113 -14.055 9.129 9.084 1.00 1.34 O ATOM 1712 CB SER A 113 -16.745 8.226 9.244 1.00 1.01 C ATOM 1713 OG SER A 113 -17.996 7.745 8.783 1.00 1.63 O ATOM 0 H SER A 113 -16.578 5.875 9.954 1.00 0.87 H new ATOM 0 HA SER A 113 -15.602 7.243 7.699 1.00 0.75 H new ATOM 0 HB2 SER A 113 -16.753 8.284 10.332 1.00 1.01 H new ATOM 0 HB3 SER A 113 -16.581 9.237 8.872 1.00 1.01 H new ATOM 0 HG SER A 113 -18.710 8.342 9.091 1.00 1.63 H new ATOM 1719 N VAL A 114 -13.362 7.087 9.717 1.00 1.07 N ATOM 1720 CA VAL A 114 -12.047 7.551 10.141 1.00 1.57 C ATOM 1721 C VAL A 114 -10.992 7.176 9.104 1.00 1.35 C ATOM 1722 O VAL A 114 -9.796 7.150 9.394 1.00 1.61 O ATOM 1723 CB VAL A 114 -11.654 6.958 11.510 1.00 2.24 C ATOM 1724 CG1 VAL A 114 -10.537 7.769 12.149 1.00 2.89 C ATOM 1725 CG2 VAL A 114 -12.864 6.889 12.430 1.00 2.90 C ATOM 0 H VAL A 114 -13.518 6.087 9.842 1.00 1.07 H new ATOM 0 HA VAL A 114 -12.097 8.636 10.236 1.00 1.57 H new ATOM 0 HB VAL A 114 -11.287 5.944 11.350 1.00 2.24 H new ATOM 0 HG11 VAL A 114 -10.276 7.333 13.113 1.00 2.89 H new ATOM 0 HG12 VAL A 114 -9.663 7.760 11.498 1.00 2.89 H new ATOM 0 HG13 VAL A 114 -10.871 8.797 12.294 1.00 2.89 H new ATOM 0 HG21 VAL A 114 -12.567 6.468 13.391 1.00 2.90 H new ATOM 0 HG22 VAL A 114 -13.264 7.892 12.581 1.00 2.90 H new ATOM 0 HG23 VAL A 114 -13.629 6.258 11.978 1.00 2.90 H new ATOM 1735 N GLY A 115 -11.451 6.890 7.888 1.00 1.05 N ATOM 1736 CA GLY A 115 -10.546 6.517 6.817 1.00 0.96 C ATOM 1737 C GLY A 115 -9.629 7.657 6.410 1.00 0.87 C ATOM 1738 O GLY A 115 -10.055 8.591 5.730 1.00 0.97 O ATOM 0 H GLY A 115 -12.437 6.910 7.626 1.00 1.05 H new ATOM 0 HA2 GLY A 115 -9.944 5.666 7.134 1.00 0.96 H new ATOM 0 HA3 GLY A 115 -11.125 6.194 5.952 1.00 0.96 H new ATOM 1742 N GLY A 116 -8.367 7.581 6.831 1.00 0.80 N ATOM 1743 CA GLY A 116 -7.403 8.619 6.499 1.00 0.80 C ATOM 1744 C GLY A 116 -7.086 8.664 5.013 1.00 0.70 C ATOM 1745 O GLY A 116 -7.955 9.006 4.210 1.00 0.75 O ATOM 0 H GLY A 116 -7.995 6.818 7.397 1.00 0.80 H new ATOM 0 HA2 GLY A 116 -7.793 9.587 6.814 1.00 0.80 H new ATOM 0 HA3 GLY A 116 -6.483 8.449 7.059 1.00 0.80 H new ATOM 1749 N PRO A 117 -5.843 8.332 4.603 1.00 0.62 N ATOM 1750 CA PRO A 117 -5.459 8.342 3.187 1.00 0.60 C ATOM 1751 C PRO A 117 -6.318 7.388 2.369 1.00 0.53 C ATOM 1752 O PRO A 117 -6.634 7.656 1.210 1.00 0.59 O ATOM 1753 CB PRO A 117 -3.998 7.874 3.195 1.00 0.57 C ATOM 1754 CG PRO A 117 -3.805 7.217 4.519 1.00 0.70 C ATOM 1755 CD PRO A 117 -4.726 7.924 5.471 1.00 0.59 C ATOM 0 HA PRO A 117 -5.591 9.324 2.734 1.00 0.60 H new ATOM 0 HB2 PRO A 117 -3.803 7.179 2.378 1.00 0.57 H new ATOM 0 HB3 PRO A 117 -3.315 8.714 3.069 1.00 0.57 H new ATOM 0 HG2 PRO A 117 -4.041 6.154 4.465 1.00 0.70 H new ATOM 0 HG3 PRO A 117 -2.769 7.297 4.847 1.00 0.70 H new ATOM 0 HD2 PRO A 117 -5.058 7.267 6.275 1.00 0.59 H new ATOM 0 HD3 PRO A 117 -4.243 8.782 5.939 1.00 0.59 H new ATOM 1763 N ILE A 118 -6.691 6.273 2.986 1.00 0.44 N ATOM 1764 CA ILE A 118 -7.530 5.280 2.333 1.00 0.40 C ATOM 1765 C ILE A 118 -9.000 5.576 2.609 1.00 0.43 C ATOM 1766 O ILE A 118 -9.446 5.522 3.756 1.00 0.50 O ATOM 1767 CB ILE A 118 -7.179 3.850 2.798 1.00 0.33 C ATOM 1768 CG1 ILE A 118 -5.684 3.585 2.590 1.00 0.28 C ATOM 1769 CG2 ILE A 118 -8.016 2.825 2.049 1.00 0.35 C ATOM 1770 CD1 ILE A 118 -5.232 2.224 3.075 1.00 1.25 C ATOM 0 H ILE A 118 -6.424 6.035 3.941 1.00 0.44 H new ATOM 0 HA ILE A 118 -7.346 5.337 1.260 1.00 0.40 H new ATOM 0 HB ILE A 118 -7.405 3.760 3.860 1.00 0.33 H new ATOM 0 HG12 ILE A 118 -5.452 3.678 1.529 1.00 0.28 H new ATOM 0 HG13 ILE A 118 -5.112 4.354 3.110 1.00 0.28 H new ATOM 0 HG21 ILE A 118 -7.755 1.823 2.390 1.00 0.35 H new ATOM 0 HG22 ILE A 118 -9.073 3.009 2.240 1.00 0.35 H new ATOM 0 HG23 ILE A 118 -7.821 2.907 0.980 1.00 0.35 H new ATOM 0 HD11 ILE A 118 -4.163 2.110 2.894 1.00 1.25 H new ATOM 0 HD12 ILE A 118 -5.431 2.134 4.143 1.00 1.25 H new ATOM 0 HD13 ILE A 118 -5.776 1.447 2.538 1.00 1.25 H new ATOM 1782 N GLY A 119 -9.743 5.903 1.550 1.00 0.43 N ATOM 1783 CA GLY A 119 -11.158 6.222 1.685 1.00 0.48 C ATOM 1784 C GLY A 119 -11.902 5.261 2.596 1.00 0.45 C ATOM 1785 O GLY A 119 -11.465 4.127 2.789 1.00 0.40 O ATOM 0 H GLY A 119 -9.387 5.953 0.595 1.00 0.43 H new ATOM 0 HA2 GLY A 119 -11.260 7.235 2.074 1.00 0.48 H new ATOM 0 HA3 GLY A 119 -11.622 6.211 0.699 1.00 0.48 H new ATOM 1789 N PRO A 120 -13.049 5.682 3.166 1.00 0.52 N ATOM 1790 CA PRO A 120 -13.834 4.832 4.064 1.00 0.56 C ATOM 1791 C PRO A 120 -14.372 3.598 3.344 1.00 0.51 C ATOM 1792 O PRO A 120 -14.948 3.705 2.260 1.00 0.48 O ATOM 1793 CB PRO A 120 -14.981 5.741 4.520 1.00 0.64 C ATOM 1794 CG PRO A 120 -15.077 6.797 3.473 1.00 0.67 C ATOM 1795 CD PRO A 120 -13.676 7.002 2.965 1.00 0.59 C ATOM 0 HA PRO A 120 -13.240 4.448 4.893 1.00 0.56 H new ATOM 0 HB2 PRO A 120 -15.915 5.185 4.606 1.00 0.64 H new ATOM 0 HB3 PRO A 120 -14.776 6.174 5.499 1.00 0.64 H new ATOM 0 HG2 PRO A 120 -15.743 6.489 2.667 1.00 0.67 H new ATOM 0 HG3 PRO A 120 -15.482 7.721 3.886 1.00 0.67 H new ATOM 0 HD2 PRO A 120 -13.667 7.297 1.916 1.00 0.59 H new ATOM 0 HD3 PRO A 120 -13.157 7.783 3.520 1.00 0.59 H new ATOM 1803 N ASN A 121 -14.188 2.432 3.957 1.00 0.55 N ATOM 1804 CA ASN A 121 -14.629 1.167 3.368 1.00 0.58 C ATOM 1805 C ASN A 121 -14.157 1.062 1.924 1.00 0.49 C ATOM 1806 O ASN A 121 -14.837 0.482 1.081 1.00 0.53 O ATOM 1807 CB ASN A 121 -16.156 1.064 3.402 1.00 0.68 C ATOM 1808 CG ASN A 121 -16.743 1.538 4.713 1.00 0.79 C ATOM 1809 OD1 ASN A 121 -16.935 0.754 5.641 1.00 1.12 O ATOM 1810 ND2 ASN A 121 -17.042 2.829 4.787 1.00 0.67 N ATOM 0 H ASN A 121 -13.735 2.335 4.866 1.00 0.55 H new ATOM 0 HA ASN A 121 -14.198 0.354 3.952 1.00 0.58 H new ATOM 0 HB2 ASN A 121 -16.574 1.654 2.587 1.00 0.68 H new ATOM 0 HB3 ASN A 121 -16.450 0.029 3.230 1.00 0.68 H new ATOM 0 HD21 ASN A 121 -17.450 3.210 5.641 1.00 0.67 H new ATOM 0 HD22 ASN A 121 -16.864 3.440 3.990 1.00 0.67 H new ATOM 1817 N GLU A 122 -12.982 1.611 1.651 1.00 0.40 N ATOM 1818 CA GLU A 122 -12.424 1.579 0.307 1.00 0.35 C ATOM 1819 C GLU A 122 -11.132 0.780 0.263 1.00 0.31 C ATOM 1820 O GLU A 122 -10.228 1.007 1.065 1.00 0.33 O ATOM 1821 CB GLU A 122 -12.173 2.998 -0.204 1.00 0.35 C ATOM 1822 CG GLU A 122 -13.440 3.727 -0.619 1.00 1.09 C ATOM 1823 CD GLU A 122 -13.165 5.117 -1.158 1.00 1.24 C ATOM 1824 OE1 GLU A 122 -12.605 5.223 -2.271 1.00 1.60 O ATOM 1825 OE2 GLU A 122 -13.515 6.100 -0.472 1.00 1.73 O ATOM 0 H GLU A 122 -12.398 2.083 2.341 1.00 0.40 H new ATOM 0 HA GLU A 122 -13.152 1.089 -0.340 1.00 0.35 H new ATOM 0 HB2 GLU A 122 -11.672 3.572 0.575 1.00 0.35 H new ATOM 0 HB3 GLU A 122 -11.493 2.954 -1.055 1.00 0.35 H new ATOM 0 HG2 GLU A 122 -13.958 3.143 -1.380 1.00 1.09 H new ATOM 0 HG3 GLU A 122 -14.110 3.800 0.238 1.00 1.09 H new ATOM 1832 N THR A 123 -11.050 -0.159 -0.670 1.00 0.26 N ATOM 1833 CA THR A 123 -9.846 -0.954 -0.824 1.00 0.24 C ATOM 1834 C THR A 123 -8.952 -0.291 -1.864 1.00 0.22 C ATOM 1835 O THR A 123 -9.391 -0.006 -2.976 1.00 0.24 O ATOM 1836 CB THR A 123 -10.169 -2.397 -1.254 1.00 0.25 C ATOM 1837 OG1 THR A 123 -11.053 -3.002 -0.302 1.00 0.29 O ATOM 1838 CG2 THR A 123 -8.898 -3.227 -1.366 1.00 0.24 C ATOM 0 H THR A 123 -11.798 -0.385 -1.325 1.00 0.26 H new ATOM 0 HA THR A 123 -9.337 -1.006 0.138 1.00 0.24 H new ATOM 0 HB THR A 123 -10.650 -2.363 -2.232 1.00 0.25 H new ATOM 0 HG1 THR A 123 -10.539 -3.578 0.302 1.00 0.29 H new ATOM 0 HG21 THR A 123 -9.152 -4.242 -1.671 1.00 0.24 H new ATOM 0 HG22 THR A 123 -8.236 -2.780 -2.108 1.00 0.24 H new ATOM 0 HG23 THR A 123 -8.395 -3.254 -0.400 1.00 0.24 H new ATOM 1846 N LEU A 124 -7.699 -0.050 -1.508 1.00 0.20 N ATOM 1847 CA LEU A 124 -6.774 0.620 -2.415 1.00 0.19 C ATOM 1848 C LEU A 124 -5.619 -0.282 -2.838 1.00 0.17 C ATOM 1849 O LEU A 124 -5.285 -1.254 -2.159 1.00 0.18 O ATOM 1850 CB LEU A 124 -6.211 1.870 -1.738 1.00 0.23 C ATOM 1851 CG LEU A 124 -7.082 3.126 -1.826 1.00 0.47 C ATOM 1852 CD1 LEU A 124 -8.522 2.832 -1.427 1.00 1.15 C ATOM 1853 CD2 LEU A 124 -6.500 4.218 -0.944 1.00 1.47 C ATOM 0 H LEU A 124 -7.300 -0.305 -0.605 1.00 0.20 H new ATOM 0 HA LEU A 124 -7.334 0.886 -3.312 1.00 0.19 H new ATOM 0 HB2 LEU A 124 -6.038 1.644 -0.686 1.00 0.23 H new ATOM 0 HB3 LEU A 124 -5.240 2.093 -2.180 1.00 0.23 H new ATOM 0 HG LEU A 124 -7.089 3.465 -2.862 1.00 0.47 H new ATOM 0 HD11 LEU A 124 -9.113 3.745 -1.500 1.00 1.15 H new ATOM 0 HD12 LEU A 124 -8.937 2.076 -2.093 1.00 1.15 H new ATOM 0 HD13 LEU A 124 -8.548 2.465 -0.401 1.00 1.15 H new ATOM 0 HD21 LEU A 124 -7.123 5.110 -1.010 1.00 1.47 H new ATOM 0 HD22 LEU A 124 -6.469 3.873 0.089 1.00 1.47 H new ATOM 0 HD23 LEU A 124 -5.490 4.456 -1.278 1.00 1.47 H new ATOM 1865 N ILE A 125 -5.017 0.062 -3.970 1.00 0.15 N ATOM 1866 CA ILE A 125 -3.872 -0.664 -4.501 1.00 0.14 C ATOM 1867 C ILE A 125 -2.649 0.240 -4.492 1.00 0.13 C ATOM 1868 O ILE A 125 -2.747 1.426 -4.810 1.00 0.16 O ATOM 1869 CB ILE A 125 -4.117 -1.147 -5.942 1.00 0.14 C ATOM 1870 CG1 ILE A 125 -5.385 -1.988 -6.012 1.00 0.17 C ATOM 1871 CG2 ILE A 125 -2.923 -1.943 -6.450 1.00 0.17 C ATOM 1872 CD1 ILE A 125 -6.647 -1.172 -6.186 1.00 0.20 C ATOM 0 H ILE A 125 -5.309 0.852 -4.545 1.00 0.15 H new ATOM 0 HA ILE A 125 -3.714 -1.537 -3.868 1.00 0.14 H new ATOM 0 HB ILE A 125 -4.244 -0.273 -6.581 1.00 0.14 H new ATOM 0 HG12 ILE A 125 -5.300 -2.690 -6.841 1.00 0.17 H new ATOM 0 HG13 ILE A 125 -5.468 -2.580 -5.101 1.00 0.17 H new ATOM 0 HG21 ILE A 125 -3.115 -2.276 -7.470 1.00 0.17 H new ATOM 0 HG22 ILE A 125 -2.033 -1.314 -6.435 1.00 0.17 H new ATOM 0 HG23 ILE A 125 -2.765 -2.810 -5.809 1.00 0.17 H new ATOM 0 HD11 ILE A 125 -7.508 -1.839 -6.228 1.00 0.20 H new ATOM 0 HD12 ILE A 125 -6.757 -0.489 -5.344 1.00 0.20 H new ATOM 0 HD13 ILE A 125 -6.586 -0.600 -7.112 1.00 0.20 H new ATOM 1884 N PHE A 126 -1.502 -0.312 -4.128 1.00 0.13 N ATOM 1885 CA PHE A 126 -0.282 0.476 -4.073 1.00 0.14 C ATOM 1886 C PHE A 126 0.865 -0.219 -4.792 1.00 0.14 C ATOM 1887 O PHE A 126 1.121 -1.404 -4.583 1.00 0.16 O ATOM 1888 CB PHE A 126 0.095 0.738 -2.614 1.00 0.16 C ATOM 1889 CG PHE A 126 -0.999 1.400 -1.828 1.00 0.16 C ATOM 1890 CD1 PHE A 126 -1.270 2.749 -1.991 1.00 0.19 C ATOM 1891 CD2 PHE A 126 -1.758 0.671 -0.926 1.00 0.18 C ATOM 1892 CE1 PHE A 126 -2.278 3.359 -1.268 1.00 0.23 C ATOM 1893 CE2 PHE A 126 -2.766 1.276 -0.201 1.00 0.22 C ATOM 1894 CZ PHE A 126 -3.026 2.622 -0.372 1.00 0.24 C ATOM 0 H PHE A 126 -1.391 -1.292 -3.869 1.00 0.13 H new ATOM 0 HA PHE A 126 -0.466 1.423 -4.581 1.00 0.14 H new ATOM 0 HB2 PHE A 126 0.354 -0.207 -2.138 1.00 0.16 H new ATOM 0 HB3 PHE A 126 0.986 1.365 -2.583 1.00 0.16 H new ATOM 0 HD1 PHE A 126 -0.687 3.330 -2.690 1.00 0.19 H new ATOM 0 HD2 PHE A 126 -1.559 -0.382 -0.789 1.00 0.18 H new ATOM 0 HE1 PHE A 126 -2.480 4.411 -1.404 1.00 0.23 H new ATOM 0 HE2 PHE A 126 -3.350 0.697 0.499 1.00 0.22 H new ATOM 0 HZ PHE A 126 -3.813 3.097 0.195 1.00 0.24 H new ATOM 1904 N LYS A 127 1.550 0.538 -5.642 1.00 0.14 N ATOM 1905 CA LYS A 127 2.690 0.020 -6.385 1.00 0.15 C ATOM 1906 C LYS A 127 3.962 0.666 -5.862 1.00 0.16 C ATOM 1907 O LYS A 127 4.251 1.823 -6.169 1.00 0.19 O ATOM 1908 CB LYS A 127 2.530 0.305 -7.881 1.00 0.18 C ATOM 1909 CG LYS A 127 1.306 -0.351 -8.501 1.00 0.89 C ATOM 1910 CD LYS A 127 1.410 -1.870 -8.494 1.00 1.23 C ATOM 1911 CE LYS A 127 2.243 -2.384 -9.659 1.00 1.62 C ATOM 1912 NZ LYS A 127 3.670 -1.973 -9.555 1.00 2.28 N ATOM 0 H LYS A 127 1.333 1.516 -5.833 1.00 0.14 H new ATOM 0 HA LYS A 127 2.746 -1.060 -6.248 1.00 0.15 H new ATOM 0 HB2 LYS A 127 2.469 1.383 -8.032 1.00 0.18 H new ATOM 0 HB3 LYS A 127 3.421 -0.041 -8.405 1.00 0.18 H new ATOM 0 HG2 LYS A 127 0.414 -0.046 -7.953 1.00 0.89 H new ATOM 0 HG3 LYS A 127 1.186 -0.000 -9.526 1.00 0.89 H new ATOM 0 HD2 LYS A 127 1.855 -2.200 -7.555 1.00 1.23 H new ATOM 0 HD3 LYS A 127 0.411 -2.303 -8.542 1.00 1.23 H new ATOM 0 HE2 LYS A 127 2.182 -3.472 -9.695 1.00 1.62 H new ATOM 0 HE3 LYS A 127 1.826 -2.010 -10.594 1.00 1.62 H new ATOM 0 HZ1 LYS A 127 4.272 -2.691 -10.006 1.00 2.28 H new ATOM 0 HZ2 LYS A 127 3.804 -1.059 -10.034 1.00 2.28 H new ATOM 0 HZ3 LYS A 127 3.932 -1.881 -8.553 1.00 2.28 H new ATOM 1926 N ILE A 128 4.721 -0.082 -5.077 1.00 0.16 N ATOM 1927 CA ILE A 128 5.944 0.442 -4.491 1.00 0.19 C ATOM 1928 C ILE A 128 7.183 -0.074 -5.193 1.00 0.18 C ATOM 1929 O ILE A 128 7.445 -1.276 -5.221 1.00 0.22 O ATOM 1930 CB ILE A 128 6.056 0.083 -2.997 1.00 0.23 C ATOM 1931 CG1 ILE A 128 4.782 0.475 -2.247 1.00 0.31 C ATOM 1932 CG2 ILE A 128 7.265 0.764 -2.376 1.00 0.27 C ATOM 1933 CD1 ILE A 128 3.725 -0.606 -2.239 1.00 0.82 C ATOM 0 H ILE A 128 4.513 -1.050 -4.832 1.00 0.16 H new ATOM 0 HA ILE A 128 5.887 1.524 -4.611 1.00 0.19 H new ATOM 0 HB ILE A 128 6.183 -0.996 -2.915 1.00 0.23 H new ATOM 0 HG12 ILE A 128 5.039 0.727 -1.218 1.00 0.31 H new ATOM 0 HG13 ILE A 128 4.366 1.374 -2.701 1.00 0.31 H new ATOM 0 HG21 ILE A 128 7.329 0.500 -1.320 1.00 0.27 H new ATOM 0 HG22 ILE A 128 8.170 0.436 -2.888 1.00 0.27 H new ATOM 0 HG23 ILE A 128 7.164 1.845 -2.474 1.00 0.27 H new ATOM 0 HD11 ILE A 128 2.851 -0.256 -1.689 1.00 0.82 H new ATOM 0 HD12 ILE A 128 3.438 -0.842 -3.264 1.00 0.82 H new ATOM 0 HD13 ILE A 128 4.122 -1.500 -1.758 1.00 0.82 H new ATOM 1945 N HIS A 129 7.944 0.849 -5.756 1.00 0.15 N ATOM 1946 CA HIS A 129 9.183 0.501 -6.417 1.00 0.15 C ATOM 1947 C HIS A 129 10.335 1.094 -5.621 1.00 0.15 C ATOM 1948 O HIS A 129 10.663 2.272 -5.760 1.00 0.15 O ATOM 1949 CB HIS A 129 9.196 1.014 -7.855 1.00 0.15 C ATOM 1950 CG HIS A 129 9.669 -0.013 -8.836 1.00 0.17 C ATOM 1951 ND1 HIS A 129 9.165 -0.129 -10.113 1.00 0.22 N ATOM 1952 CD2 HIS A 129 10.592 -0.996 -8.707 1.00 0.20 C ATOM 1953 CE1 HIS A 129 9.754 -1.142 -10.725 1.00 0.26 C ATOM 1954 NE2 HIS A 129 10.625 -1.688 -9.894 1.00 0.26 N ATOM 0 H HIS A 129 7.723 1.845 -5.767 1.00 0.15 H new ATOM 0 HA HIS A 129 9.284 -0.583 -6.460 1.00 0.15 H new ATOM 0 HB2 HIS A 129 8.191 1.336 -8.130 1.00 0.15 H new ATOM 0 HB3 HIS A 129 9.840 1.891 -7.917 1.00 0.15 H new ATOM 0 HD2 HIS A 129 11.192 -1.199 -7.832 1.00 0.20 H new ATOM 0 HE1 HIS A 129 9.557 -1.469 -11.735 1.00 0.26 H new ATOM 0 HE2 HIS A 129 11.222 -2.489 -10.099 1.00 0.26 H new ATOM 1963 N LEU A 130 10.946 0.260 -4.792 1.00 0.16 N ATOM 1964 CA LEU A 130 12.041 0.692 -3.939 1.00 0.17 C ATOM 1965 C LEU A 130 13.367 0.693 -4.684 1.00 0.17 C ATOM 1966 O LEU A 130 13.784 -0.325 -5.233 1.00 0.25 O ATOM 1967 CB LEU A 130 12.116 -0.210 -2.703 1.00 0.22 C ATOM 1968 CG LEU A 130 13.272 0.076 -1.742 1.00 0.46 C ATOM 1969 CD1 LEU A 130 13.339 1.552 -1.392 1.00 1.36 C ATOM 1970 CD2 LEU A 130 13.123 -0.758 -0.479 1.00 1.41 C ATOM 0 H LEU A 130 10.699 -0.725 -4.693 1.00 0.16 H new ATOM 0 HA LEU A 130 11.847 1.718 -3.626 1.00 0.17 H new ATOM 0 HB2 LEU A 130 11.179 -0.120 -2.153 1.00 0.22 H new ATOM 0 HB3 LEU A 130 12.192 -1.245 -3.035 1.00 0.22 H new ATOM 0 HG LEU A 130 14.203 -0.196 -2.240 1.00 0.46 H new ATOM 0 HD11 LEU A 130 14.169 1.726 -0.708 1.00 1.36 H new ATOM 0 HD12 LEU A 130 13.489 2.135 -2.301 1.00 1.36 H new ATOM 0 HD13 LEU A 130 12.407 1.856 -0.916 1.00 1.36 H new ATOM 0 HD21 LEU A 130 13.951 -0.546 0.197 1.00 1.41 H new ATOM 0 HD22 LEU A 130 12.182 -0.510 0.012 1.00 1.41 H new ATOM 0 HD23 LEU A 130 13.129 -1.816 -0.739 1.00 1.41 H new ATOM 1982 N ILE A 131 14.018 1.852 -4.705 1.00 0.13 N ATOM 1983 CA ILE A 131 15.305 1.994 -5.373 1.00 0.15 C ATOM 1984 C ILE A 131 16.448 1.690 -4.414 1.00 0.17 C ATOM 1985 O ILE A 131 17.284 0.828 -4.686 1.00 0.22 O ATOM 1986 CB ILE A 131 15.490 3.412 -5.947 1.00 0.18 C ATOM 1987 CG1 ILE A 131 14.300 3.785 -6.835 1.00 0.16 C ATOM 1988 CG2 ILE A 131 16.794 3.503 -6.729 1.00 0.26 C ATOM 1989 CD1 ILE A 131 14.302 5.236 -7.269 1.00 1.17 C ATOM 0 H ILE A 131 13.674 2.706 -4.266 1.00 0.13 H new ATOM 0 HA ILE A 131 15.320 1.278 -6.195 1.00 0.15 H new ATOM 0 HB ILE A 131 15.537 4.120 -5.120 1.00 0.18 H new ATOM 0 HG12 ILE A 131 14.304 3.149 -7.720 1.00 0.16 H new ATOM 0 HG13 ILE A 131 13.375 3.576 -6.297 1.00 0.16 H new ATOM 0 HG21 ILE A 131 16.910 4.511 -7.128 1.00 0.26 H new ATOM 0 HG22 ILE A 131 17.631 3.276 -6.069 1.00 0.26 H new ATOM 0 HG23 ILE A 131 16.776 2.787 -7.551 1.00 0.26 H new ATOM 0 HD11 ILE A 131 13.431 5.430 -7.895 1.00 1.17 H new ATOM 0 HD12 ILE A 131 14.267 5.879 -6.389 1.00 1.17 H new ATOM 0 HD13 ILE A 131 15.210 5.445 -7.835 1.00 1.17 H new ATOM 2001 N SER A 132 16.485 2.403 -3.291 1.00 0.17 N ATOM 2002 CA SER A 132 17.536 2.192 -2.300 1.00 0.20 C ATOM 2003 C SER A 132 17.169 2.806 -0.951 1.00 0.22 C ATOM 2004 O SER A 132 16.250 3.620 -0.852 1.00 0.23 O ATOM 2005 CB SER A 132 18.858 2.776 -2.795 1.00 0.23 C ATOM 2006 OG SER A 132 18.837 4.192 -2.763 1.00 1.17 O ATOM 0 H SER A 132 15.807 3.125 -3.046 1.00 0.17 H new ATOM 0 HA SER A 132 17.646 1.116 -2.162 1.00 0.20 H new ATOM 0 HB2 SER A 132 19.676 2.408 -2.175 1.00 0.23 H new ATOM 0 HB3 SER A 132 19.051 2.436 -3.812 1.00 0.23 H new ATOM 0 HG SER A 132 19.696 4.539 -3.083 1.00 1.17 H new ATOM 2012 N VAL A 133 17.905 2.407 0.085 1.00 0.25 N ATOM 2013 CA VAL A 133 17.675 2.903 1.439 1.00 0.29 C ATOM 2014 C VAL A 133 18.793 3.837 1.887 1.00 0.41 C ATOM 2015 O VAL A 133 19.972 3.506 1.762 1.00 0.57 O ATOM 2016 CB VAL A 133 17.573 1.743 2.446 1.00 0.45 C ATOM 2017 CG1 VAL A 133 18.727 0.768 2.258 1.00 1.16 C ATOM 2018 CG2 VAL A 133 17.549 2.277 3.869 1.00 1.43 C ATOM 0 H VAL A 133 18.670 1.737 0.010 1.00 0.25 H new ATOM 0 HA VAL A 133 16.733 3.451 1.415 1.00 0.29 H new ATOM 0 HB VAL A 133 16.641 1.208 2.263 1.00 0.45 H new ATOM 0 HG11 VAL A 133 18.638 -0.045 2.979 1.00 1.16 H new ATOM 0 HG12 VAL A 133 18.699 0.361 1.247 1.00 1.16 H new ATOM 0 HG13 VAL A 133 19.672 1.288 2.414 1.00 1.16 H new ATOM 0 HG21 VAL A 133 17.477 1.444 4.569 1.00 1.43 H new ATOM 0 HG22 VAL A 133 18.464 2.836 4.063 1.00 1.43 H new ATOM 0 HG23 VAL A 133 16.689 2.934 3.997 1.00 1.43 H new ATOM 2028 N LYS A 134 18.408 4.993 2.425 1.00 0.41 N ATOM 2029 CA LYS A 134 19.364 5.987 2.913 1.00 0.58 C ATOM 2030 C LYS A 134 20.632 6.011 2.063 1.00 0.68 C ATOM 2031 O LYS A 134 21.718 5.676 2.538 1.00 1.28 O ATOM 2032 CB LYS A 134 19.711 5.706 4.378 1.00 0.69 C ATOM 2033 CG LYS A 134 19.490 6.899 5.294 1.00 1.69 C ATOM 2034 CD LYS A 134 19.800 6.553 6.741 1.00 1.90 C ATOM 2035 CE LYS A 134 19.440 7.699 7.676 1.00 2.62 C ATOM 2036 NZ LYS A 134 17.984 8.013 7.631 1.00 3.08 N ATOM 0 H LYS A 134 17.431 5.266 2.535 1.00 0.41 H new ATOM 0 HA LYS A 134 18.896 6.969 2.836 1.00 0.58 H new ATOM 0 HB2 LYS A 134 19.108 4.870 4.732 1.00 0.69 H new ATOM 0 HB3 LYS A 134 20.754 5.397 4.443 1.00 0.69 H new ATOM 0 HG2 LYS A 134 20.121 7.728 4.973 1.00 1.69 H new ATOM 0 HG3 LYS A 134 18.457 7.236 5.212 1.00 1.69 H new ATOM 0 HD2 LYS A 134 19.247 5.659 7.029 1.00 1.90 H new ATOM 0 HD3 LYS A 134 20.860 6.319 6.842 1.00 1.90 H new ATOM 0 HE2 LYS A 134 19.725 7.439 8.696 1.00 2.62 H new ATOM 0 HE3 LYS A 134 20.012 8.585 7.401 1.00 2.62 H new ATOM 0 HZ1 LYS A 134 17.718 8.551 8.481 1.00 3.08 H new ATOM 0 HZ2 LYS A 134 17.777 8.580 6.784 1.00 3.08 H new ATOM 0 HZ3 LYS A 134 17.439 7.128 7.597 1.00 3.08 H new ATOM 2050 N LYS A 135 20.478 6.400 0.802 1.00 0.95 N ATOM 2051 CA LYS A 135 21.598 6.478 -0.126 1.00 1.05 C ATOM 2052 C LYS A 135 22.234 5.109 -0.340 1.00 0.97 C ATOM 2053 O LYS A 135 23.458 4.979 -0.364 1.00 0.99 O ATOM 2054 CB LYS A 135 22.642 7.467 0.384 1.00 1.19 C ATOM 2055 CG LYS A 135 22.166 8.909 0.385 1.00 1.67 C ATOM 2056 CD LYS A 135 23.306 9.872 0.670 1.00 2.16 C ATOM 2057 CE LYS A 135 23.812 9.737 2.099 1.00 2.86 C ATOM 2058 NZ LYS A 135 22.750 10.049 3.095 1.00 3.16 N ATOM 0 H LYS A 135 19.581 6.668 0.398 1.00 0.95 H new ATOM 0 HA LYS A 135 21.215 6.828 -1.084 1.00 1.05 H new ATOM 0 HB2 LYS A 135 22.930 7.188 1.398 1.00 1.19 H new ATOM 0 HB3 LYS A 135 23.536 7.389 -0.234 1.00 1.19 H new ATOM 0 HG2 LYS A 135 21.721 9.147 -0.581 1.00 1.67 H new ATOM 0 HG3 LYS A 135 21.386 9.035 1.136 1.00 1.67 H new ATOM 0 HD2 LYS A 135 24.124 9.684 -0.025 1.00 2.16 H new ATOM 0 HD3 LYS A 135 22.970 10.895 0.498 1.00 2.16 H new ATOM 0 HE2 LYS A 135 24.175 8.722 2.261 1.00 2.86 H new ATOM 0 HE3 LYS A 135 24.659 10.407 2.249 1.00 2.86 H new ATOM 0 HZ1 LYS A 135 23.184 10.212 4.026 1.00 3.16 H new ATOM 0 HZ2 LYS A 135 22.236 10.903 2.798 1.00 3.16 H new ATOM 0 HZ3 LYS A 135 22.087 9.250 3.158 1.00 3.16 H new ATOM 2072 N SER A 136 21.386 4.095 -0.492 1.00 0.99 N ATOM 2073 CA SER A 136 21.845 2.725 -0.711 1.00 0.96 C ATOM 2074 C SER A 136 22.936 2.336 0.286 1.00 1.03 C ATOM 2075 O SER A 136 24.077 2.077 -0.097 1.00 1.31 O ATOM 2076 CB SER A 136 22.358 2.556 -2.145 1.00 0.95 C ATOM 2077 OG SER A 136 23.478 3.389 -2.392 1.00 1.19 O ATOM 0 H SER A 136 20.371 4.197 -0.467 1.00 0.99 H new ATOM 0 HA SER A 136 20.994 2.062 -0.556 1.00 0.96 H new ATOM 0 HB2 SER A 136 22.632 1.515 -2.315 1.00 0.95 H new ATOM 0 HB3 SER A 136 21.561 2.796 -2.849 1.00 0.95 H new ATOM 0 HG SER A 136 23.799 3.766 -1.546 1.00 1.19 H new ATOM 2083 N SER A 137 22.576 2.293 1.564 1.00 0.91 N ATOM 2084 CA SER A 137 23.525 1.935 2.614 1.00 1.03 C ATOM 2085 C SER A 137 23.798 0.434 2.611 1.00 1.82 C ATOM 2086 O SER A 137 24.769 0.012 1.949 1.00 2.51 O ATOM 2087 CB SER A 137 22.990 2.368 3.981 1.00 1.57 C ATOM 2088 OG SER A 137 23.878 1.990 5.018 1.00 2.37 O ATOM 2089 OXT SER A 137 23.039 -0.306 3.271 1.00 2.53 O ATOM 0 H SER A 137 21.635 2.501 1.899 1.00 0.91 H new ATOM 0 HA SER A 137 24.462 2.456 2.418 1.00 1.03 H new ATOM 0 HB2 SER A 137 22.849 3.449 3.994 1.00 1.57 H new ATOM 0 HB3 SER A 137 22.013 1.917 4.152 1.00 1.57 H new ATOM 0 HG SER A 137 23.515 2.279 5.881 1.00 2.37 H new TER 2095 SER A 137