USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 818 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 71 GLN : amide:sc= -7.14! C(o=-20!,f=-21!) USER MOD Set 1.2: A 93 GLN : amide:sc= -11.8! C(o=-20!,f=-24!) USER MOD Set 1.3: A 97 THR OG1 : rot 50:sc= -1.51! USER MOD Set 2.1: A 22 ASN :FLIP amide:sc= -1.7! C(o=-8.1!,f=-3.9!) USER MOD Set 2.2: A 25 GLN : amide:sc= -2.24! C(o=-3.9!,f=-8.1!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -2.13! C(o=-5.9!,f=-2.1!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.0209 F(o=-1.9!,f=-0.021) USER MOD Single : A 13 ASN : amide:sc= -0.574 K(o=-0.57,f=-7.3!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.0422 (180deg=-0.377) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0616) USER MOD Single : A 31 THR OG1 : rot 84:sc= 0.583 USER MOD Single : A 32 LYS NZ :NH3+ -118:sc= 0.00738 (180deg=0) USER MOD Single : A 33 MET CE :methyl 165:sc= -1.38 (180deg=-1.86) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.45! C(o=-5.5!,f=-3.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.704 USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= 0.00185 (180deg=-0.818) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -95:sc= -0.511 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.82) USER MOD Single : A 77 LYS NZ :NH3+ 156:sc= -0.0298 (180deg=-0.265) USER MOD Single : A 80 ASN :FLIP amide:sc= -8.42! C(o=-12!,f=-8.4!) USER MOD Single : A 83 LYS NZ :NH3+ -113:sc= 0.667 (180deg=-0.753) USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= -2.11 (180deg=-2.15) USER MOD Single : A 88 GLN : amide:sc= -0.27 K(o=-0.27,f=-0.95) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.406 X(o=0.41,f=-0.011) USER MOD Single : A 103 GLN :FLIP amide:sc= -1.08 F(o=-4.7!,f=-1.1) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.520 10.347 1.213 1.00 0.00 N ATOM 2 CA ALA A 1 -17.371 9.427 1.451 1.00 0.00 C ATOM 3 C ALA A 1 -16.069 10.227 1.442 1.00 0.00 C ATOM 4 O ALA A 1 -15.571 10.611 0.403 1.00 0.00 O ATOM 5 CB ALA A 1 -17.326 8.371 0.348 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.407 9.804 1.219 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.550 11.067 1.963 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.406 10.813 0.290 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.492 8.938 2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.486 7.699 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.255 7.800 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.205 8.860 -0.619 1.00 0.00 H new ATOM 10 N ASP A 2 -15.517 10.488 2.595 1.00 0.00 N ATOM 11 CA ASP A 2 -14.250 11.272 2.658 1.00 0.00 C ATOM 12 C ASP A 2 -13.052 10.369 2.350 1.00 0.00 C ATOM 13 O ASP A 2 -13.185 9.175 2.173 1.00 0.00 O ATOM 14 CB ASP A 2 -14.091 11.877 4.052 1.00 0.00 C ATOM 15 CG ASP A 2 -15.167 12.945 4.271 1.00 0.00 C ATOM 16 OD1 ASP A 2 -15.130 13.946 3.573 1.00 0.00 O ATOM 17 OD2 ASP A 2 -16.008 12.743 5.130 1.00 0.00 O ATOM 0 H ASP A 2 -15.889 10.192 3.498 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.291 12.070 1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.177 11.098 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.100 12.317 4.158 1.00 0.00 H new ATOM 22 N LEU A 3 -11.882 10.943 2.284 1.00 0.00 N ATOM 23 CA LEU A 3 -10.651 10.150 1.983 1.00 0.00 C ATOM 24 C LEU A 3 -10.612 8.892 2.864 1.00 0.00 C ATOM 25 O LEU A 3 -10.073 7.873 2.484 1.00 0.00 O ATOM 26 CB LEU A 3 -9.418 11.043 2.262 1.00 0.00 C ATOM 27 CG LEU A 3 -8.320 10.864 1.187 1.00 0.00 C ATOM 28 CD1 LEU A 3 -7.965 9.377 1.023 1.00 0.00 C ATOM 29 CD2 LEU A 3 -8.781 11.449 -0.163 1.00 0.00 C ATOM 0 H LEU A 3 -11.722 11.940 2.427 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.649 9.835 0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.727 12.088 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.009 10.800 3.243 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.431 11.403 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.191 9.269 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.599 8.983 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.853 8.823 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.995 11.313 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.684 10.936 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.990 12.512 -0.046 1.00 0.00 H new ATOM 41 N GLU A 4 -11.175 8.956 4.037 1.00 0.00 N ATOM 42 CA GLU A 4 -11.156 7.766 4.929 1.00 0.00 C ATOM 43 C GLU A 4 -11.842 6.589 4.232 1.00 0.00 C ATOM 44 O GLU A 4 -11.830 5.475 4.718 1.00 0.00 O ATOM 45 CB GLU A 4 -11.893 8.093 6.231 1.00 0.00 C ATOM 46 CG GLU A 4 -13.384 8.301 5.941 1.00 0.00 C ATOM 47 CD GLU A 4 -14.047 9.018 7.119 1.00 0.00 C ATOM 48 OE1 GLU A 4 -13.380 9.818 7.755 1.00 0.00 O ATOM 49 OE2 GLU A 4 -15.213 8.757 7.365 1.00 0.00 O ATOM 0 H GLU A 4 -11.646 9.778 4.415 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.124 7.498 5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.761 7.283 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.472 8.991 6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.508 8.887 5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.868 7.339 5.770 1.00 0.00 H new ATOM 56 N ASP A 5 -12.452 6.823 3.100 1.00 0.00 N ATOM 57 CA ASP A 5 -13.142 5.712 2.387 1.00 0.00 C ATOM 58 C ASP A 5 -12.130 4.825 1.663 1.00 0.00 C ATOM 59 O ASP A 5 -12.129 3.623 1.848 1.00 0.00 O ATOM 60 CB ASP A 5 -14.137 6.287 1.380 1.00 0.00 C ATOM 61 CG ASP A 5 -13.392 7.172 0.378 1.00 0.00 C ATOM 62 OD1 ASP A 5 -12.283 7.579 0.687 1.00 0.00 O ATOM 63 OD2 ASP A 5 -13.940 7.424 -0.682 1.00 0.00 O ATOM 0 H ASP A 5 -12.501 7.732 2.641 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.673 5.105 3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.650 5.480 0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.901 6.868 1.898 1.00 0.00 H new ATOM 68 N ASN A 6 -11.268 5.385 0.837 1.00 0.00 N ATOM 69 CA ASN A 6 -10.270 4.521 0.127 1.00 0.00 C ATOM 70 C ASN A 6 -9.640 3.624 1.196 1.00 0.00 C ATOM 71 O ASN A 6 -9.373 2.457 0.990 1.00 0.00 O ATOM 72 CB ASN A 6 -9.217 5.415 -0.593 1.00 0.00 C ATOM 73 CG ASN A 6 -7.781 4.999 -0.258 1.00 0.00 C ATOM 74 OD1 ASN A 6 -7.389 5.029 0.979 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 -7.014 4.649 -1.134 1.00 0.00 N flip ATOM 0 H ASN A 6 -11.215 6.382 0.629 1.00 0.00 H new ATOM 0 HA ASN A 6 -10.730 3.906 -0.647 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.369 5.356 -1.671 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -9.369 6.456 -0.306 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.325 4.626 -2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.059 4.378 -0.898 1.00 0.00 H new ATOM 82 N TRP A 7 -9.452 4.187 2.354 1.00 0.00 N ATOM 83 CA TRP A 7 -8.895 3.425 3.495 1.00 0.00 C ATOM 84 C TRP A 7 -9.829 2.243 3.793 1.00 0.00 C ATOM 85 O TRP A 7 -9.394 1.151 4.102 1.00 0.00 O ATOM 86 CB TRP A 7 -8.830 4.364 4.723 1.00 0.00 C ATOM 87 CG TRP A 7 -7.448 4.925 4.892 1.00 0.00 C ATOM 88 CD1 TRP A 7 -6.846 5.748 4.010 1.00 0.00 C ATOM 89 CD2 TRP A 7 -6.500 4.734 5.985 1.00 0.00 C ATOM 90 NE1 TRP A 7 -5.589 6.074 4.482 1.00 0.00 N ATOM 91 CE2 TRP A 7 -5.329 5.476 5.696 1.00 0.00 C ATOM 92 CE3 TRP A 7 -6.539 3.999 7.185 1.00 0.00 C ATOM 93 CZ2 TRP A 7 -4.237 5.488 6.562 1.00 0.00 C ATOM 94 CZ3 TRP A 7 -5.440 4.011 8.061 1.00 0.00 C ATOM 95 CH2 TRP A 7 -4.291 4.754 7.748 1.00 0.00 C ATOM 0 H TRP A 7 -9.666 5.163 2.559 1.00 0.00 H new ATOM 0 HA TRP A 7 -7.897 3.052 3.265 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -9.545 5.177 4.603 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.118 3.817 5.621 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -7.277 6.097 3.083 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -4.934 6.683 3.992 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.418 3.423 7.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.355 6.061 6.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.480 3.445 8.980 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -3.449 4.758 8.424 1.00 0.00 H new ATOM 106 N GLU A 8 -11.115 2.471 3.714 1.00 0.00 N ATOM 107 CA GLU A 8 -12.096 1.388 4.005 1.00 0.00 C ATOM 108 C GLU A 8 -11.853 0.216 3.054 1.00 0.00 C ATOM 109 O GLU A 8 -11.781 -0.923 3.466 1.00 0.00 O ATOM 110 CB GLU A 8 -13.511 1.929 3.812 1.00 0.00 C ATOM 111 CG GLU A 8 -14.529 0.912 4.336 1.00 0.00 C ATOM 112 CD GLU A 8 -15.924 1.273 3.823 1.00 0.00 C ATOM 113 OE1 GLU A 8 -16.044 1.558 2.642 1.00 0.00 O ATOM 114 OE2 GLU A 8 -16.849 1.257 4.618 1.00 0.00 O ATOM 0 H GLU A 8 -11.528 3.368 3.458 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.977 1.045 5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.624 2.876 4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.693 2.129 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.258 -0.091 4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.522 0.904 5.426 1.00 0.00 H new ATOM 121 N THR A 9 -11.707 0.477 1.787 1.00 0.00 N ATOM 122 CA THR A 9 -11.448 -0.637 0.838 1.00 0.00 C ATOM 123 C THR A 9 -10.227 -1.413 1.337 1.00 0.00 C ATOM 124 O THR A 9 -10.267 -2.610 1.565 1.00 0.00 O ATOM 125 CB THR A 9 -11.157 -0.061 -0.556 1.00 0.00 C ATOM 126 OG1 THR A 9 -12.085 0.976 -0.838 1.00 0.00 O ATOM 127 CG2 THR A 9 -11.294 -1.168 -1.603 1.00 0.00 C ATOM 0 H THR A 9 -11.755 1.407 1.370 1.00 0.00 H new ATOM 0 HA THR A 9 -12.315 -1.295 0.777 1.00 0.00 H new ATOM 0 HB THR A 9 -10.143 0.339 -0.583 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.901 1.347 -1.726 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.088 -0.760 -2.593 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.584 -1.966 -1.384 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.308 -1.568 -1.579 1.00 0.00 H new ATOM 135 N LEU A 10 -9.145 -0.718 1.522 1.00 0.00 N ATOM 136 CA LEU A 10 -7.908 -1.362 2.014 1.00 0.00 C ATOM 137 C LEU A 10 -8.131 -1.876 3.436 1.00 0.00 C ATOM 138 O LEU A 10 -7.465 -2.771 3.884 1.00 0.00 O ATOM 139 CB LEU A 10 -6.783 -0.309 2.018 1.00 0.00 C ATOM 140 CG LEU A 10 -6.084 -0.213 0.638 1.00 0.00 C ATOM 141 CD1 LEU A 10 -6.794 0.815 -0.250 1.00 0.00 C ATOM 142 CD2 LEU A 10 -4.632 0.231 0.836 1.00 0.00 C ATOM 0 H LEU A 10 -9.067 0.284 1.350 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.638 -2.200 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.196 0.664 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.048 -0.564 2.781 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.121 -1.191 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.291 0.871 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.831 0.514 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.765 1.793 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.137 0.300 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.613 1.206 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.111 -0.496 1.459 1.00 0.00 H new ATOM 154 N ASN A 11 -9.040 -1.306 4.158 1.00 0.00 N ATOM 155 CA ASN A 11 -9.256 -1.770 5.555 1.00 0.00 C ATOM 156 C ASN A 11 -9.663 -3.238 5.571 1.00 0.00 C ATOM 157 O ASN A 11 -8.959 -4.096 6.069 1.00 0.00 O ATOM 158 CB ASN A 11 -10.383 -0.970 6.185 1.00 0.00 C ATOM 159 CG ASN A 11 -10.456 -1.285 7.681 1.00 0.00 C ATOM 160 OD1 ASN A 11 -9.464 -1.915 8.255 1.00 0.00 O flip ATOM 161 ND2 ASN A 11 -11.428 -0.961 8.335 1.00 0.00 N flip ATOM 0 H ASN A 11 -9.643 -0.543 3.850 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.326 -1.635 6.108 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.215 0.096 6.035 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.330 -1.214 5.704 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.202 -0.470 7.889 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.469 -1.180 9.330 1.00 0.00 H new ATOM 168 N ASP A 12 -10.815 -3.518 5.044 1.00 0.00 N ATOM 169 CA ASP A 12 -11.322 -4.915 5.032 1.00 0.00 C ATOM 170 C ASP A 12 -10.294 -5.826 4.398 1.00 0.00 C ATOM 171 O ASP A 12 -10.327 -7.027 4.576 1.00 0.00 O ATOM 172 CB ASP A 12 -12.590 -4.979 4.199 1.00 0.00 C ATOM 173 CG ASP A 12 -13.733 -4.295 4.948 1.00 0.00 C ATOM 174 OD1 ASP A 12 -13.622 -3.108 5.204 1.00 0.00 O ATOM 175 OD2 ASP A 12 -14.700 -4.972 5.259 1.00 0.00 O ATOM 0 H ASP A 12 -11.436 -2.832 4.615 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.520 -5.231 6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.430 -4.492 3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.848 -6.017 3.991 1.00 0.00 H new ATOM 180 N ASN A 13 -9.386 -5.292 3.640 1.00 0.00 N ATOM 181 CA ASN A 13 -8.400 -6.199 3.010 1.00 0.00 C ATOM 182 C ASN A 13 -7.541 -6.831 4.118 1.00 0.00 C ATOM 183 O ASN A 13 -7.437 -8.035 4.213 1.00 0.00 O ATOM 184 CB ASN A 13 -7.523 -5.435 2.002 1.00 0.00 C ATOM 185 CG ASN A 13 -8.167 -5.469 0.612 1.00 0.00 C ATOM 186 OD1 ASN A 13 -7.848 -6.315 -0.198 1.00 0.00 O ATOM 187 ND2 ASN A 13 -9.069 -4.581 0.305 1.00 0.00 N ATOM 0 H ASN A 13 -9.284 -4.298 3.434 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.919 -6.983 2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.396 -4.402 2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.529 -5.881 1.962 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.507 -4.597 -0.616 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.337 -3.870 0.986 1.00 0.00 H new ATOM 194 N LEU A 14 -6.945 -6.033 4.972 1.00 0.00 N ATOM 195 CA LEU A 14 -6.120 -6.605 6.083 1.00 0.00 C ATOM 196 C LEU A 14 -7.009 -7.493 6.951 1.00 0.00 C ATOM 197 O LEU A 14 -6.569 -8.466 7.530 1.00 0.00 O ATOM 198 CB LEU A 14 -5.568 -5.479 6.978 1.00 0.00 C ATOM 199 CG LEU A 14 -4.436 -4.685 6.289 1.00 0.00 C ATOM 200 CD1 LEU A 14 -3.187 -5.546 6.098 1.00 0.00 C ATOM 201 CD2 LEU A 14 -4.910 -4.169 4.936 1.00 0.00 C ATOM 0 H LEU A 14 -6.994 -5.014 4.948 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.295 -7.171 5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.377 -4.798 7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.195 -5.907 7.908 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.178 -3.845 6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.410 -4.957 5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.828 -5.887 7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.431 -6.409 5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.106 -3.610 4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.193 -5.011 4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.771 -3.516 5.077 1.00 0.00 H new ATOM 213 N LYS A 15 -8.249 -7.133 7.065 1.00 0.00 N ATOM 214 CA LYS A 15 -9.194 -7.901 7.917 1.00 0.00 C ATOM 215 C LYS A 15 -9.271 -9.363 7.469 1.00 0.00 C ATOM 216 O LYS A 15 -9.152 -10.266 8.269 1.00 0.00 O ATOM 217 CB LYS A 15 -10.573 -7.240 7.790 1.00 0.00 C ATOM 218 CG LYS A 15 -11.565 -7.837 8.796 1.00 0.00 C ATOM 219 CD LYS A 15 -13.006 -7.596 8.299 1.00 0.00 C ATOM 220 CE LYS A 15 -13.372 -8.589 7.181 1.00 0.00 C ATOM 221 NZ LYS A 15 -14.849 -8.791 7.171 1.00 0.00 N ATOM 0 H LYS A 15 -8.658 -6.325 6.596 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.852 -7.893 8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.482 -6.167 7.957 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.952 -7.374 6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.383 -8.905 8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.425 -7.381 9.776 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.704 -7.702 9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.102 -6.575 7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.038 -8.208 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.864 -9.540 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.103 -9.461 6.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.154 -9.172 8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.323 -7.881 6.999 1.00 0.00 H new ATOM 235 N VAL A 16 -9.485 -9.620 6.215 1.00 0.00 N ATOM 236 CA VAL A 16 -9.592 -11.029 5.774 1.00 0.00 C ATOM 237 C VAL A 16 -8.253 -11.755 5.966 1.00 0.00 C ATOM 238 O VAL A 16 -8.218 -12.790 6.580 1.00 0.00 O ATOM 239 CB VAL A 16 -10.068 -11.049 4.303 1.00 0.00 C ATOM 240 CG1 VAL A 16 -9.412 -12.190 3.516 1.00 0.00 C ATOM 241 CG2 VAL A 16 -11.590 -11.231 4.256 1.00 0.00 C ATOM 0 H VAL A 16 -9.590 -8.920 5.481 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.323 -11.564 6.381 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.781 -10.101 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.769 -12.174 2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.329 -12.064 3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.670 -13.144 3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.923 -11.245 3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.859 -12.172 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.071 -10.406 4.781 1.00 0.00 H new ATOM 251 N ILE A 17 -7.154 -11.256 5.454 1.00 0.00 N ATOM 252 CA ILE A 17 -5.869 -12.007 5.655 1.00 0.00 C ATOM 253 C ILE A 17 -5.735 -12.318 7.151 1.00 0.00 C ATOM 254 O ILE A 17 -5.473 -13.438 7.544 1.00 0.00 O ATOM 255 CB ILE A 17 -4.642 -11.185 5.163 1.00 0.00 C ATOM 256 CG1 ILE A 17 -5.118 -9.943 4.414 1.00 0.00 C ATOM 257 CG2 ILE A 17 -3.778 -12.028 4.215 1.00 0.00 C ATOM 258 CD1 ILE A 17 -3.908 -9.136 3.941 1.00 0.00 C ATOM 0 H ILE A 17 -7.086 -10.389 4.921 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.891 -12.926 5.070 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.052 -10.896 6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.731 -10.233 3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.745 -9.332 5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.924 -11.439 3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.423 -12.916 4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.372 -12.329 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.249 -8.249 3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.313 -8.834 4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.299 -9.749 3.276 1.00 0.00 H new ATOM 270 N GLU A 18 -5.950 -11.338 7.980 1.00 0.00 N ATOM 271 CA GLU A 18 -5.869 -11.574 9.445 1.00 0.00 C ATOM 272 C GLU A 18 -6.843 -12.699 9.811 1.00 0.00 C ATOM 273 O GLU A 18 -6.615 -13.454 10.738 1.00 0.00 O ATOM 274 CB GLU A 18 -6.277 -10.291 10.189 1.00 0.00 C ATOM 275 CG GLU A 18 -5.211 -9.172 10.000 1.00 0.00 C ATOM 276 CD GLU A 18 -4.456 -8.919 11.312 1.00 0.00 C ATOM 277 OE1 GLU A 18 -5.109 -8.808 12.337 1.00 0.00 O ATOM 278 OE2 GLU A 18 -3.238 -8.839 11.267 1.00 0.00 O ATOM 0 H GLU A 18 -6.179 -10.383 7.706 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.852 -11.849 9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.242 -9.944 9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.400 -10.506 11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.508 -9.460 9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.695 -8.253 9.669 1.00 0.00 H new ATOM 285 N LYS A 19 -7.941 -12.799 9.094 1.00 0.00 N ATOM 286 CA LYS A 19 -8.969 -13.848 9.385 1.00 0.00 C ATOM 287 C LYS A 19 -9.278 -14.636 8.104 1.00 0.00 C ATOM 288 O LYS A 19 -10.418 -14.923 7.798 1.00 0.00 O ATOM 289 CB LYS A 19 -10.240 -13.141 9.887 1.00 0.00 C ATOM 290 CG LYS A 19 -9.934 -12.354 11.192 1.00 0.00 C ATOM 291 CD LYS A 19 -10.578 -10.956 11.164 1.00 0.00 C ATOM 292 CE LYS A 19 -12.101 -11.090 11.184 1.00 0.00 C ATOM 293 NZ LYS A 19 -12.534 -11.579 12.524 1.00 0.00 N ATOM 0 H LYS A 19 -8.169 -12.189 8.309 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.603 -14.543 10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.613 -12.460 9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.025 -13.875 10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.306 -12.911 12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.855 -12.258 11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.243 -10.374 12.022 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.262 -10.417 10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.565 -10.128 10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.427 -11.783 10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.544 -11.371 12.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.380 -12.606 12.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.980 -11.102 13.263 1.00 0.00 H new ATOM 307 N ALA A 20 -8.266 -14.967 7.342 1.00 0.00 N ATOM 308 CA ALA A 20 -8.487 -15.712 6.065 1.00 0.00 C ATOM 309 C ALA A 20 -9.067 -17.104 6.346 1.00 0.00 C ATOM 310 O ALA A 20 -9.778 -17.656 5.535 1.00 0.00 O ATOM 311 CB ALA A 20 -7.147 -15.837 5.310 1.00 0.00 C ATOM 0 H ALA A 20 -7.291 -14.752 7.551 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.201 -15.163 5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.304 -16.380 4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.759 -14.842 5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.430 -16.377 5.928 1.00 0.00 H new ATOM 317 N ASP A 21 -8.742 -17.679 7.469 1.00 0.00 N ATOM 318 CA ASP A 21 -9.241 -19.047 7.799 1.00 0.00 C ATOM 319 C ASP A 21 -8.532 -20.071 6.905 1.00 0.00 C ATOM 320 O ASP A 21 -8.248 -21.179 7.317 1.00 0.00 O ATOM 321 CB ASP A 21 -10.761 -19.121 7.581 1.00 0.00 C ATOM 322 CG ASP A 21 -11.404 -17.799 8.006 1.00 0.00 C ATOM 323 OD1 ASP A 21 -11.592 -17.611 9.196 1.00 0.00 O ATOM 324 OD2 ASP A 21 -11.700 -17.000 7.133 1.00 0.00 O ATOM 0 H ASP A 21 -8.146 -17.257 8.181 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.029 -19.268 8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.979 -19.323 6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.182 -19.944 8.158 1.00 0.00 H new ATOM 329 N ASN A 22 -8.233 -19.703 5.689 1.00 0.00 N ATOM 330 CA ASN A 22 -7.523 -20.644 4.765 1.00 0.00 C ATOM 331 C ASN A 22 -6.723 -19.846 3.730 1.00 0.00 C ATOM 332 O ASN A 22 -7.091 -18.750 3.358 1.00 0.00 O ATOM 333 CB ASN A 22 -8.535 -21.533 4.042 1.00 0.00 C ATOM 334 CG ASN A 22 -9.521 -22.113 5.053 1.00 0.00 C ATOM 335 OD1 ASN A 22 -10.619 -21.463 5.305 1.00 0.00 O flip ATOM 336 ND2 ASN A 22 -9.292 -23.164 5.615 1.00 0.00 N flip ATOM 0 H ASN A 22 -8.449 -18.789 5.291 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.848 -21.268 5.350 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.069 -20.955 3.288 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.019 -22.338 3.519 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.430 -23.672 5.416 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.961 -23.540 6.287 1.00 0.00 H new ATOM 343 N ALA A 23 -5.633 -20.391 3.261 1.00 0.00 N ATOM 344 CA ALA A 23 -4.808 -19.671 2.247 1.00 0.00 C ATOM 345 C ALA A 23 -5.691 -19.239 1.070 1.00 0.00 C ATOM 346 O ALA A 23 -5.343 -18.357 0.311 1.00 0.00 O ATOM 347 CB ALA A 23 -3.701 -20.605 1.743 1.00 0.00 C ATOM 0 H ALA A 23 -5.277 -21.306 3.537 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.363 -18.786 2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.095 -20.084 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.071 -20.907 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.149 -21.489 1.289 1.00 0.00 H new ATOM 353 N ALA A 24 -6.820 -19.865 0.901 1.00 0.00 N ATOM 354 CA ALA A 24 -7.711 -19.500 -0.236 1.00 0.00 C ATOM 355 C ALA A 24 -8.256 -18.079 -0.052 1.00 0.00 C ATOM 356 O ALA A 24 -8.174 -17.258 -0.944 1.00 0.00 O ATOM 357 CB ALA A 24 -8.877 -20.490 -0.305 1.00 0.00 C ATOM 0 H ALA A 24 -7.166 -20.614 1.501 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.137 -19.539 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.531 -20.225 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.490 -21.498 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.442 -20.453 0.627 1.00 0.00 H new ATOM 363 N GLN A 25 -8.829 -17.781 1.086 1.00 0.00 N ATOM 364 CA GLN A 25 -9.392 -16.414 1.291 1.00 0.00 C ATOM 365 C GLN A 25 -8.272 -15.370 1.301 1.00 0.00 C ATOM 366 O GLN A 25 -8.519 -14.187 1.159 1.00 0.00 O ATOM 367 CB GLN A 25 -10.151 -16.370 2.623 1.00 0.00 C ATOM 368 CG GLN A 25 -11.516 -17.113 2.498 1.00 0.00 C ATOM 369 CD GLN A 25 -11.635 -18.205 3.570 1.00 0.00 C ATOM 370 OE1 GLN A 25 -11.992 -17.930 4.698 1.00 0.00 O ATOM 371 NE2 GLN A 25 -11.350 -19.439 3.256 1.00 0.00 N ATOM 0 H GLN A 25 -8.931 -18.419 1.875 1.00 0.00 H new ATOM 0 HA GLN A 25 -10.074 -16.186 0.472 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.550 -16.831 3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.320 -15.334 2.918 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.335 -16.401 2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.605 -17.557 1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.050 -19.668 2.308 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.427 -20.175 3.958 1.00 0.00 H new ATOM 380 N VAL A 26 -7.044 -15.781 1.448 1.00 0.00 N ATOM 381 CA VAL A 26 -5.938 -14.794 1.441 1.00 0.00 C ATOM 382 C VAL A 26 -5.802 -14.260 0.012 1.00 0.00 C ATOM 383 O VAL A 26 -5.833 -13.070 -0.226 1.00 0.00 O ATOM 384 CB VAL A 26 -4.635 -15.489 1.882 1.00 0.00 C ATOM 385 CG1 VAL A 26 -3.423 -14.671 1.425 1.00 0.00 C ATOM 386 CG2 VAL A 26 -4.600 -15.653 3.411 1.00 0.00 C ATOM 0 H VAL A 26 -6.763 -16.754 1.572 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.139 -13.972 2.128 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.600 -16.476 1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.507 -15.170 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.432 -14.583 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.467 -13.677 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.673 -16.146 3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.654 -14.672 3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.448 -16.258 3.732 1.00 0.00 H new ATOM 396 N LYS A 27 -5.663 -15.141 -0.940 1.00 0.00 N ATOM 397 CA LYS A 27 -5.539 -14.702 -2.356 1.00 0.00 C ATOM 398 C LYS A 27 -6.692 -13.766 -2.690 1.00 0.00 C ATOM 399 O LYS A 27 -6.556 -12.824 -3.444 1.00 0.00 O ATOM 400 CB LYS A 27 -5.612 -15.921 -3.273 1.00 0.00 C ATOM 401 CG LYS A 27 -4.481 -16.880 -2.925 1.00 0.00 C ATOM 402 CD LYS A 27 -4.548 -18.109 -3.842 1.00 0.00 C ATOM 403 CE LYS A 27 -4.216 -17.727 -5.300 1.00 0.00 C ATOM 404 NZ LYS A 27 -5.471 -17.724 -6.107 1.00 0.00 N ATOM 0 H LYS A 27 -5.630 -16.150 -0.796 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.587 -14.190 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.575 -16.419 -3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.534 -15.612 -4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.519 -16.380 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.559 -17.187 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.848 -18.867 -3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.544 -18.549 -3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.747 -16.744 -5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.502 -18.435 -5.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.304 -17.231 -7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.763 -18.704 -6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.222 -17.235 -5.579 1.00 0.00 H new ATOM 418 N ASP A 28 -7.827 -14.034 -2.126 1.00 0.00 N ATOM 419 CA ASP A 28 -9.020 -13.185 -2.388 1.00 0.00 C ATOM 420 C ASP A 28 -8.723 -11.754 -1.960 1.00 0.00 C ATOM 421 O ASP A 28 -8.737 -10.850 -2.758 1.00 0.00 O ATOM 422 CB ASP A 28 -10.211 -13.747 -1.585 1.00 0.00 C ATOM 423 CG ASP A 28 -11.513 -13.613 -2.388 1.00 0.00 C ATOM 424 OD1 ASP A 28 -11.786 -14.495 -3.186 1.00 0.00 O ATOM 425 OD2 ASP A 28 -12.211 -12.634 -2.186 1.00 0.00 O ATOM 0 H ASP A 28 -7.985 -14.813 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.264 -13.190 -3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.032 -14.795 -1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.304 -13.213 -0.639 1.00 0.00 H new ATOM 430 N ALA A 29 -8.464 -11.548 -0.706 1.00 0.00 N ATOM 431 CA ALA A 29 -8.191 -10.164 -0.218 1.00 0.00 C ATOM 432 C ALA A 29 -7.060 -9.517 -1.017 1.00 0.00 C ATOM 433 O ALA A 29 -7.178 -8.398 -1.474 1.00 0.00 O ATOM 434 CB ALA A 29 -7.798 -10.219 1.259 1.00 0.00 C ATOM 0 H ALA A 29 -8.428 -12.275 0.008 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.093 -9.566 -0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.598 -9.210 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.613 -10.656 1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.903 -10.830 1.375 1.00 0.00 H new ATOM 440 N LEU A 30 -5.959 -10.189 -1.175 1.00 0.00 N ATOM 441 CA LEU A 30 -4.835 -9.573 -1.925 1.00 0.00 C ATOM 442 C LEU A 30 -5.293 -9.202 -3.338 1.00 0.00 C ATOM 443 O LEU A 30 -4.845 -8.226 -3.905 1.00 0.00 O ATOM 444 CB LEU A 30 -3.653 -10.547 -1.966 1.00 0.00 C ATOM 445 CG LEU A 30 -3.021 -10.634 -0.556 1.00 0.00 C ATOM 446 CD1 LEU A 30 -2.206 -11.923 -0.416 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.094 -9.428 -0.311 1.00 0.00 C ATOM 0 H LEU A 30 -5.789 -11.130 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.514 -8.660 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.989 -11.532 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.912 -10.209 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.827 -10.631 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.768 -11.970 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.858 -12.784 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.412 -11.934 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.656 -9.502 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.300 -9.422 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.670 -8.505 -0.387 1.00 0.00 H new ATOM 459 N THR A 31 -6.196 -9.952 -3.906 1.00 0.00 N ATOM 460 CA THR A 31 -6.687 -9.610 -5.262 1.00 0.00 C ATOM 461 C THR A 31 -7.478 -8.293 -5.189 1.00 0.00 C ATOM 462 O THR A 31 -7.444 -7.486 -6.100 1.00 0.00 O ATOM 463 CB THR A 31 -7.567 -10.755 -5.778 1.00 0.00 C ATOM 464 OG1 THR A 31 -6.739 -11.843 -6.164 1.00 0.00 O ATOM 465 CG2 THR A 31 -8.382 -10.287 -6.980 1.00 0.00 C ATOM 0 H THR A 31 -6.612 -10.784 -3.488 1.00 0.00 H new ATOM 0 HA THR A 31 -5.853 -9.477 -5.951 1.00 0.00 H new ATOM 0 HB THR A 31 -8.248 -11.070 -4.987 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.524 -12.386 -5.377 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.004 -11.107 -7.339 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.017 -9.452 -6.686 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.708 -9.968 -7.775 1.00 0.00 H new ATOM 473 N LYS A 32 -8.174 -8.050 -4.106 1.00 0.00 N ATOM 474 CA LYS A 32 -8.928 -6.766 -4.000 1.00 0.00 C ATOM 475 C LYS A 32 -7.901 -5.659 -3.810 1.00 0.00 C ATOM 476 O LYS A 32 -8.021 -4.579 -4.354 1.00 0.00 O ATOM 477 CB LYS A 32 -9.932 -6.772 -2.820 1.00 0.00 C ATOM 478 CG LYS A 32 -10.501 -8.181 -2.579 1.00 0.00 C ATOM 479 CD LYS A 32 -11.415 -8.627 -3.752 1.00 0.00 C ATOM 480 CE LYS A 32 -11.233 -10.130 -4.043 1.00 0.00 C ATOM 481 NZ LYS A 32 -12.478 -10.663 -4.666 1.00 0.00 N ATOM 0 H LYS A 32 -8.252 -8.675 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.518 -6.614 -4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.437 -6.418 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.747 -6.079 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.682 -8.891 -2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.068 -8.192 -1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.457 -8.423 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.179 -8.047 -4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.384 -10.283 -4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.015 -10.668 -3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.888 -11.395 -4.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.163 -9.890 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.253 -11.077 -5.593 1.00 0.00 H new ATOM 495 N MET A 33 -6.867 -5.933 -3.058 1.00 0.00 N ATOM 496 CA MET A 33 -5.814 -4.909 -2.858 1.00 0.00 C ATOM 497 C MET A 33 -5.318 -4.492 -4.243 1.00 0.00 C ATOM 498 O MET A 33 -5.130 -3.339 -4.511 1.00 0.00 O ATOM 499 CB MET A 33 -4.658 -5.516 -2.058 1.00 0.00 C ATOM 500 CG MET A 33 -4.824 -5.286 -0.541 1.00 0.00 C ATOM 501 SD MET A 33 -3.212 -5.510 0.263 1.00 0.00 S ATOM 502 CE MET A 33 -3.708 -6.656 1.576 1.00 0.00 C ATOM 0 H MET A 33 -6.711 -6.819 -2.578 1.00 0.00 H new ATOM 0 HA MET A 33 -6.203 -4.050 -2.311 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.600 -6.586 -2.259 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.717 -5.078 -2.391 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.205 -4.283 -0.351 1.00 0.00 H new ATOM 0 HG3 MET A 33 -5.551 -5.986 -0.130 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.821 -7.117 2.011 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.250 -6.111 2.349 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.352 -7.430 1.159 1.00 0.00 H new ATOM 512 N ARG A 34 -5.119 -5.427 -5.132 1.00 0.00 N ATOM 513 CA ARG A 34 -4.663 -5.068 -6.504 1.00 0.00 C ATOM 514 C ARG A 34 -5.539 -3.919 -7.015 1.00 0.00 C ATOM 515 O ARG A 34 -5.062 -2.896 -7.471 1.00 0.00 O ATOM 516 CB ARG A 34 -4.848 -6.313 -7.400 1.00 0.00 C ATOM 517 CG ARG A 34 -3.506 -6.787 -7.970 1.00 0.00 C ATOM 518 CD ARG A 34 -2.562 -7.242 -6.839 1.00 0.00 C ATOM 519 NE ARG A 34 -1.542 -6.183 -6.606 1.00 0.00 N ATOM 520 CZ ARG A 34 -0.652 -5.930 -7.525 1.00 0.00 C ATOM 521 NH1 ARG A 34 -0.691 -6.559 -8.667 1.00 0.00 N ATOM 522 NH2 ARG A 34 0.277 -5.049 -7.299 1.00 0.00 N ATOM 0 H ARG A 34 -5.253 -6.425 -4.967 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.618 -4.757 -6.512 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.305 -7.116 -6.822 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.531 -6.079 -8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.671 -7.610 -8.665 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.041 -5.980 -8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.129 -7.427 -5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.077 -8.180 -7.108 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.539 -5.658 -5.732 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.419 -7.251 -8.843 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.007 -6.359 -9.384 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.308 -4.558 -6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.975 -4.848 -8.015 1.00 0.00 H new ATOM 536 N ALA A 35 -6.824 -4.096 -6.926 1.00 0.00 N ATOM 537 CA ALA A 35 -7.764 -3.036 -7.384 1.00 0.00 C ATOM 538 C ALA A 35 -7.685 -1.842 -6.430 1.00 0.00 C ATOM 539 O ALA A 35 -7.472 -0.717 -6.836 1.00 0.00 O ATOM 540 CB ALA A 35 -9.189 -3.593 -7.395 1.00 0.00 C ATOM 0 H ALA A 35 -7.269 -4.935 -6.553 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.494 -2.714 -8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.880 -2.819 -7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.242 -4.445 -8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.462 -3.913 -6.389 1.00 0.00 H new ATOM 546 N ALA A 36 -7.861 -2.085 -5.160 1.00 0.00 N ATOM 547 CA ALA A 36 -7.806 -0.979 -4.162 1.00 0.00 C ATOM 548 C ALA A 36 -6.391 -0.375 -4.130 1.00 0.00 C ATOM 549 O ALA A 36 -6.190 0.739 -3.688 1.00 0.00 O ATOM 550 CB ALA A 36 -8.163 -1.553 -2.784 1.00 0.00 C ATOM 0 H ALA A 36 -8.042 -3.009 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.512 -0.194 -4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.128 -0.758 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.166 -1.977 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.448 -2.331 -2.518 1.00 0.00 H new ATOM 556 N ALA A 37 -5.411 -1.113 -4.579 1.00 0.00 N ATOM 557 CA ALA A 37 -4.005 -0.613 -4.566 1.00 0.00 C ATOM 558 C ALA A 37 -3.858 0.585 -5.503 1.00 0.00 C ATOM 559 O ALA A 37 -3.658 1.705 -5.073 1.00 0.00 O ATOM 560 CB ALA A 37 -3.068 -1.736 -5.018 1.00 0.00 C ATOM 0 H ALA A 37 -5.526 -2.053 -4.959 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.747 -0.299 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.039 -1.376 -5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.161 -2.583 -4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.336 -2.049 -6.027 1.00 0.00 H new ATOM 566 N LEU A 38 -3.937 0.359 -6.784 1.00 0.00 N ATOM 567 CA LEU A 38 -3.780 1.499 -7.728 1.00 0.00 C ATOM 568 C LEU A 38 -4.913 2.494 -7.495 1.00 0.00 C ATOM 569 O LEU A 38 -4.780 3.683 -7.738 1.00 0.00 O ATOM 570 CB LEU A 38 -3.815 1.008 -9.173 1.00 0.00 C ATOM 571 CG LEU A 38 -2.555 0.155 -9.482 1.00 0.00 C ATOM 572 CD1 LEU A 38 -2.909 -0.964 -10.469 1.00 0.00 C ATOM 573 CD2 LEU A 38 -1.464 1.040 -10.105 1.00 0.00 C ATOM 0 H LEU A 38 -4.101 -0.552 -7.213 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.818 1.980 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.714 0.415 -9.341 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.862 1.859 -9.853 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.191 -0.278 -8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.020 -1.558 -10.680 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.677 -1.603 -10.034 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.282 -0.527 -11.395 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.583 0.435 -10.319 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.836 1.479 -11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.198 1.834 -9.408 1.00 0.00 H new ATOM 585 N ASP A 39 -6.024 2.042 -6.974 1.00 0.00 N ATOM 586 CA ASP A 39 -7.118 3.005 -6.696 1.00 0.00 C ATOM 587 C ASP A 39 -6.528 4.004 -5.722 1.00 0.00 C ATOM 588 O ASP A 39 -6.764 5.193 -5.798 1.00 0.00 O ATOM 589 CB ASP A 39 -8.308 2.288 -6.052 1.00 0.00 C ATOM 590 CG ASP A 39 -9.492 3.252 -5.949 1.00 0.00 C ATOM 591 OD1 ASP A 39 -10.097 3.527 -6.972 1.00 0.00 O ATOM 592 OD2 ASP A 39 -9.771 3.701 -4.849 1.00 0.00 O ATOM 0 H ASP A 39 -6.215 1.069 -6.735 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.482 3.481 -7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.586 1.417 -6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.034 1.925 -5.061 1.00 0.00 H new ATOM 597 N ALA A 40 -5.695 3.517 -4.847 1.00 0.00 N ATOM 598 CA ALA A 40 -5.008 4.422 -3.910 1.00 0.00 C ATOM 599 C ALA A 40 -4.129 5.359 -4.742 1.00 0.00 C ATOM 600 O ALA A 40 -3.892 6.477 -4.367 1.00 0.00 O ATOM 601 CB ALA A 40 -4.165 3.618 -2.920 1.00 0.00 C ATOM 0 H ALA A 40 -5.465 2.528 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.728 4.999 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.662 4.299 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.810 2.944 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.421 3.037 -3.464 1.00 0.00 H new ATOM 607 N GLN A 41 -3.663 4.925 -5.901 1.00 0.00 N ATOM 608 CA GLN A 41 -2.837 5.851 -6.751 1.00 0.00 C ATOM 609 C GLN A 41 -3.631 7.153 -6.861 1.00 0.00 C ATOM 610 O GLN A 41 -3.098 8.225 -7.071 1.00 0.00 O ATOM 611 CB GLN A 41 -2.620 5.257 -8.166 1.00 0.00 C ATOM 612 CG GLN A 41 -1.340 5.834 -8.798 1.00 0.00 C ATOM 613 CD GLN A 41 -1.516 7.336 -9.034 1.00 0.00 C ATOM 614 OE1 GLN A 41 -2.674 7.792 -9.426 1.00 0.00 O flip ATOM 615 NE2 GLN A 41 -0.589 8.103 -8.861 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.816 3.992 -6.285 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.854 6.007 -6.307 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.546 4.171 -8.104 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.479 5.482 -8.798 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.487 5.656 -8.143 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.129 5.330 -9.741 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.317 7.748 -8.555 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.717 9.102 -9.022 1.00 0.00 H new ATOM 624 N LYS A 42 -4.924 7.033 -6.692 1.00 0.00 N ATOM 625 CA LYS A 42 -5.838 8.209 -6.747 1.00 0.00 C ATOM 626 C LYS A 42 -6.463 8.406 -5.353 1.00 0.00 C ATOM 627 O LYS A 42 -6.838 7.453 -4.699 1.00 0.00 O ATOM 628 CB LYS A 42 -6.958 7.943 -7.786 1.00 0.00 C ATOM 629 CG LYS A 42 -6.577 6.777 -8.710 1.00 0.00 C ATOM 630 CD LYS A 42 -7.574 6.691 -9.884 1.00 0.00 C ATOM 631 CE LYS A 42 -7.125 7.599 -11.031 1.00 0.00 C ATOM 632 NZ LYS A 42 -8.020 7.386 -12.204 1.00 0.00 N ATOM 0 H LYS A 42 -5.393 6.145 -6.514 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.286 9.102 -7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.891 7.715 -7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.132 8.841 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.565 6.918 -9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.579 5.842 -8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.646 5.661 -10.234 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.568 6.984 -9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.157 8.643 -10.718 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.092 7.379 -11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.719 8.001 -12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.967 6.392 -12.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.999 7.616 -11.940 1.00 0.00 H new ATOM 646 N ALA A 43 -6.592 9.625 -4.900 1.00 0.00 N ATOM 647 CA ALA A 43 -7.212 9.860 -3.559 1.00 0.00 C ATOM 648 C ALA A 43 -6.350 9.223 -2.465 1.00 0.00 C ATOM 649 O ALA A 43 -6.428 8.036 -2.210 1.00 0.00 O ATOM 650 CB ALA A 43 -8.617 9.245 -3.544 1.00 0.00 C ATOM 0 H ALA A 43 -6.297 10.466 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.279 10.931 -3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.077 9.412 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.227 9.712 -4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.547 8.174 -3.734 1.00 0.00 H new ATOM 656 N THR A 44 -5.516 10.001 -1.828 1.00 0.00 N ATOM 657 CA THR A 44 -4.625 9.460 -0.764 1.00 0.00 C ATOM 658 C THR A 44 -4.539 10.468 0.387 1.00 0.00 C ATOM 659 O THR A 44 -4.787 11.640 0.196 1.00 0.00 O ATOM 660 CB THR A 44 -3.254 9.248 -1.398 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.905 10.399 -2.156 1.00 0.00 O ATOM 662 CG2 THR A 44 -3.334 8.052 -2.331 1.00 0.00 C ATOM 0 H THR A 44 -5.414 11.001 -2.003 1.00 0.00 H new ATOM 0 HA THR A 44 -5.005 8.521 -0.361 1.00 0.00 H new ATOM 0 HB THR A 44 -2.507 9.077 -0.623 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.024 10.267 -2.564 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.361 7.886 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.622 7.167 -1.764 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.076 8.244 -3.106 1.00 0.00 H new ATOM 670 N PRO A 45 -4.194 10.030 1.581 1.00 0.00 N ATOM 671 CA PRO A 45 -4.088 10.938 2.750 1.00 0.00 C ATOM 672 C PRO A 45 -3.545 12.332 2.383 1.00 0.00 C ATOM 673 O PRO A 45 -4.045 13.324 2.874 1.00 0.00 O ATOM 674 CB PRO A 45 -3.165 10.171 3.705 1.00 0.00 C ATOM 675 CG PRO A 45 -3.516 8.739 3.459 1.00 0.00 C ATOM 676 CD PRO A 45 -3.868 8.637 1.964 1.00 0.00 C ATOM 0 HA PRO A 45 -5.058 11.165 3.193 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.114 10.369 3.492 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.338 10.454 4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.681 8.085 3.708 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.358 8.432 4.080 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.033 8.247 1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.712 7.968 1.797 1.00 0.00 H new ATOM 684 N PRO A 46 -2.554 12.437 1.519 1.00 0.00 N ATOM 685 CA PRO A 46 -1.989 13.739 1.090 1.00 0.00 C ATOM 686 C PRO A 46 -2.539 14.166 -0.276 1.00 0.00 C ATOM 687 O PRO A 46 -2.082 15.121 -0.872 1.00 0.00 O ATOM 688 CB PRO A 46 -0.481 13.429 1.015 1.00 0.00 C ATOM 689 CG PRO A 46 -0.383 11.913 0.936 1.00 0.00 C ATOM 690 CD PRO A 46 -1.813 11.380 0.832 1.00 0.00 C ATOM 0 HA PRO A 46 -2.235 14.563 1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.027 13.898 0.142 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.043 13.811 1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.206 11.609 0.071 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.115 11.512 1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.133 11.257 -0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.929 10.412 1.319 1.00 0.00 H new ATOM 698 N LYS A 47 -3.512 13.448 -0.765 1.00 0.00 N ATOM 699 CA LYS A 47 -4.122 13.761 -2.091 1.00 0.00 C ATOM 700 C LYS A 47 -3.022 14.129 -3.094 1.00 0.00 C ATOM 701 O LYS A 47 -3.295 14.764 -4.083 1.00 0.00 O ATOM 702 CB LYS A 47 -5.164 14.932 -2.005 1.00 0.00 C ATOM 703 CG LYS A 47 -5.451 15.364 -0.540 1.00 0.00 C ATOM 704 CD LYS A 47 -4.710 16.686 -0.198 1.00 0.00 C ATOM 705 CE LYS A 47 -5.571 17.894 -0.599 1.00 0.00 C ATOM 706 NZ LYS A 47 -4.922 19.148 -0.120 1.00 0.00 N ATOM 0 H LYS A 47 -3.919 12.641 -0.292 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.653 12.869 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.791 15.788 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.095 14.621 -2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.524 15.496 -0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.134 14.577 0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.492 16.724 0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.754 16.722 -0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.691 17.925 -1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.569 17.801 -0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.652 19.861 0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.381 18.950 0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.280 19.509 -0.854 1.00 0.00 H new ATOM 720 N LEU A 48 -1.791 13.743 -2.823 1.00 0.00 N ATOM 721 CA LEU A 48 -0.637 14.079 -3.732 1.00 0.00 C ATOM 722 C LEU A 48 -0.817 15.491 -4.296 1.00 0.00 C ATOM 723 O LEU A 48 -0.219 16.429 -3.813 1.00 0.00 O ATOM 724 CB LEU A 48 -0.541 13.054 -4.880 1.00 0.00 C ATOM 725 CG LEU A 48 0.819 13.140 -5.624 1.00 0.00 C ATOM 726 CD1 LEU A 48 0.944 14.470 -6.386 1.00 0.00 C ATOM 727 CD2 LEU A 48 1.998 12.995 -4.641 1.00 0.00 C ATOM 0 H LEU A 48 -1.533 13.201 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 48 0.289 14.040 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.673 12.049 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.353 13.225 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 48 0.854 12.317 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.905 14.506 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.139 14.547 -7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.876 15.300 -5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.938 13.059 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.954 13.793 -3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.936 12.030 -4.138 1.00 0.00 H new ATOM 739 N GLU A 49 -1.640 15.658 -5.297 1.00 0.00 N ATOM 740 CA GLU A 49 -1.853 17.020 -5.849 1.00 0.00 C ATOM 741 C GLU A 49 -2.403 17.914 -4.743 1.00 0.00 C ATOM 742 O GLU A 49 -3.589 18.155 -4.644 1.00 0.00 O ATOM 743 CB GLU A 49 -2.851 16.992 -7.001 1.00 0.00 C ATOM 744 CG GLU A 49 -2.436 15.951 -8.046 1.00 0.00 C ATOM 745 CD GLU A 49 -2.802 14.545 -7.559 1.00 0.00 C ATOM 746 OE1 GLU A 49 -3.639 14.439 -6.679 1.00 0.00 O ATOM 747 OE2 GLU A 49 -2.235 13.596 -8.079 1.00 0.00 O ATOM 0 H GLU A 49 -2.169 14.913 -5.751 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.902 17.401 -6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.846 16.759 -6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.909 17.977 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.933 16.157 -8.994 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.363 16.014 -8.228 1.00 0.00 H new ATOM 754 N ASP A 50 -1.535 18.398 -3.914 1.00 0.00 N ATOM 755 CA ASP A 50 -1.946 19.277 -2.787 1.00 0.00 C ATOM 756 C ASP A 50 -1.702 20.737 -3.183 1.00 0.00 C ATOM 757 O ASP A 50 -0.711 21.306 -2.792 1.00 0.00 O ATOM 758 CB ASP A 50 -1.103 18.941 -1.557 1.00 0.00 C ATOM 759 CG ASP A 50 -1.643 19.703 -0.346 1.00 0.00 C ATOM 760 OD1 ASP A 50 -2.266 20.733 -0.550 1.00 0.00 O ATOM 761 OD2 ASP A 50 -1.427 19.244 0.762 1.00 0.00 O ATOM 0 H ASP A 50 -0.532 18.220 -3.968 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.001 19.125 -2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.130 17.868 -1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.061 19.208 -1.733 1.00 0.00 H new ATOM 766 N LYS A 51 -2.607 21.305 -3.963 1.00 0.00 N ATOM 767 CA LYS A 51 -2.520 22.739 -4.462 1.00 0.00 C ATOM 768 C LYS A 51 -2.123 22.757 -5.937 1.00 0.00 C ATOM 769 O LYS A 51 -2.145 23.787 -6.578 1.00 0.00 O ATOM 770 CB LYS A 51 -1.490 23.584 -3.682 1.00 0.00 C ATOM 771 CG LYS A 51 -0.056 23.373 -4.244 1.00 0.00 C ATOM 772 CD LYS A 51 0.990 23.642 -3.149 1.00 0.00 C ATOM 773 CE LYS A 51 2.397 23.365 -3.693 1.00 0.00 C ATOM 774 NZ LYS A 51 3.397 24.118 -2.883 1.00 0.00 N ATOM 0 H LYS A 51 -3.439 20.814 -4.290 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.508 23.175 -4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.757 24.639 -3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.515 23.311 -2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.050 22.354 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.113 24.040 -5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.918 24.676 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.794 23.009 -2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.611 22.297 -3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.460 23.664 -4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.352 23.932 -3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.196 25.137 -2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.342 23.812 -1.891 1.00 0.00 H new ATOM 788 N SER A 52 -1.738 21.624 -6.444 1.00 0.00 N ATOM 789 CA SER A 52 -1.296 21.486 -7.863 1.00 0.00 C ATOM 790 C SER A 52 0.217 21.706 -7.951 1.00 0.00 C ATOM 791 O SER A 52 0.683 22.700 -8.473 1.00 0.00 O ATOM 792 CB SER A 52 -2.049 22.466 -8.764 1.00 0.00 C ATOM 793 OG SER A 52 -2.136 21.928 -10.077 1.00 0.00 O ATOM 0 H SER A 52 -1.709 20.752 -5.915 1.00 0.00 H new ATOM 0 HA SER A 52 -1.525 20.479 -8.212 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.048 22.649 -8.367 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.534 23.426 -8.786 1.00 0.00 H new ATOM 0 HG SER A 52 -2.620 22.554 -10.656 1.00 0.00 H new ATOM 799 N PRO A 53 0.975 20.769 -7.441 1.00 0.00 N ATOM 800 CA PRO A 53 2.465 20.831 -7.450 1.00 0.00 C ATOM 801 C PRO A 53 3.020 21.006 -8.873 1.00 0.00 C ATOM 802 O PRO A 53 3.451 22.076 -9.256 1.00 0.00 O ATOM 803 CB PRO A 53 2.889 19.472 -6.849 1.00 0.00 C ATOM 804 CG PRO A 53 1.715 19.035 -6.041 1.00 0.00 C ATOM 805 CD PRO A 53 0.493 19.541 -6.798 1.00 0.00 C ATOM 0 HA PRO A 53 2.849 21.683 -6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.124 18.749 -7.630 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.781 19.573 -6.230 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.691 17.950 -5.937 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.754 19.451 -5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.145 18.813 -7.531 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.342 19.740 -6.126 1.00 0.00 H new ATOM 813 N ASP A 54 2.999 19.957 -9.656 1.00 0.00 N ATOM 814 CA ASP A 54 3.506 20.024 -11.059 1.00 0.00 C ATOM 815 C ASP A 54 2.476 19.351 -11.969 1.00 0.00 C ATOM 816 O ASP A 54 1.972 19.956 -12.892 1.00 0.00 O ATOM 817 CB ASP A 54 4.848 19.285 -11.149 1.00 0.00 C ATOM 818 CG ASP A 54 5.783 19.789 -10.049 1.00 0.00 C ATOM 819 OD1 ASP A 54 6.334 20.865 -10.214 1.00 0.00 O ATOM 820 OD2 ASP A 54 5.934 19.087 -9.062 1.00 0.00 O ATOM 0 H ASP A 54 2.646 19.042 -9.376 1.00 0.00 H new ATOM 0 HA ASP A 54 3.654 21.059 -11.366 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.692 18.211 -11.044 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.300 19.447 -12.128 1.00 0.00 H new ATOM 825 N SER A 55 2.170 18.103 -11.678 1.00 0.00 N ATOM 826 CA SER A 55 1.163 17.285 -12.447 1.00 0.00 C ATOM 827 C SER A 55 1.836 16.111 -13.193 1.00 0.00 C ATOM 828 O SER A 55 1.326 15.011 -13.137 1.00 0.00 O ATOM 829 CB SER A 55 0.278 18.124 -13.390 1.00 0.00 C ATOM 830 OG SER A 55 1.008 18.556 -14.527 1.00 0.00 O ATOM 0 H SER A 55 2.597 17.595 -10.903 1.00 0.00 H new ATOM 0 HA SER A 55 0.487 16.868 -11.700 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.581 17.533 -13.709 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.111 18.989 -12.854 1.00 0.00 H new ATOM 0 HG SER A 55 1.363 19.455 -14.366 1.00 0.00 H new ATOM 836 N PRO A 56 2.978 16.270 -13.847 1.00 0.00 N ATOM 837 CA PRO A 56 3.640 15.115 -14.515 1.00 0.00 C ATOM 838 C PRO A 56 4.273 14.205 -13.455 1.00 0.00 C ATOM 839 O PRO A 56 4.145 12.998 -13.490 1.00 0.00 O ATOM 840 CB PRO A 56 4.726 15.752 -15.418 1.00 0.00 C ATOM 841 CG PRO A 56 4.481 17.229 -15.367 1.00 0.00 C ATOM 842 CD PRO A 56 3.766 17.492 -14.046 1.00 0.00 C ATOM 0 HA PRO A 56 2.948 14.501 -15.091 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.726 15.508 -15.059 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.654 15.378 -16.439 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.419 17.782 -15.420 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.872 17.553 -16.211 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.471 17.654 -13.231 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.132 18.377 -14.100 1.00 0.00 H new ATOM 850 N GLU A 57 4.946 14.802 -12.508 1.00 0.00 N ATOM 851 CA GLU A 57 5.588 14.012 -11.423 1.00 0.00 C ATOM 852 C GLU A 57 4.504 13.253 -10.647 1.00 0.00 C ATOM 853 O GLU A 57 4.788 12.529 -9.716 1.00 0.00 O ATOM 854 CB GLU A 57 6.366 14.964 -10.480 1.00 0.00 C ATOM 855 CG GLU A 57 7.872 14.896 -10.779 1.00 0.00 C ATOM 856 CD GLU A 57 8.140 15.414 -12.192 1.00 0.00 C ATOM 857 OE1 GLU A 57 7.475 14.956 -13.107 1.00 0.00 O ATOM 858 OE2 GLU A 57 9.007 16.260 -12.335 1.00 0.00 O ATOM 0 H GLU A 57 5.078 15.811 -12.441 1.00 0.00 H new ATOM 0 HA GLU A 57 6.290 13.294 -11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.009 15.986 -10.608 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.182 14.689 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.424 15.492 -10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.225 13.869 -10.684 1.00 0.00 H new ATOM 865 N MET A 58 3.267 13.417 -11.015 1.00 0.00 N ATOM 866 CA MET A 58 2.186 12.704 -10.285 1.00 0.00 C ATOM 867 C MET A 58 2.375 11.199 -10.474 1.00 0.00 C ATOM 868 O MET A 58 2.459 10.452 -9.517 1.00 0.00 O ATOM 869 CB MET A 58 0.825 13.141 -10.837 1.00 0.00 C ATOM 870 CG MET A 58 -0.285 12.263 -10.253 1.00 0.00 C ATOM 871 SD MET A 58 -1.897 12.967 -10.684 1.00 0.00 S ATOM 872 CE MET A 58 -2.259 11.892 -12.097 1.00 0.00 C ATOM 0 H MET A 58 2.958 14.010 -11.785 1.00 0.00 H new ATOM 0 HA MET A 58 2.227 12.944 -9.222 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.641 14.186 -10.588 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.824 13.067 -11.924 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.203 11.248 -10.642 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.181 12.199 -9.170 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.227 12.161 -12.520 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.485 12.014 -12.855 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.283 10.853 -11.767 1.00 0.00 H new ATOM 882 N LYS A 59 2.464 10.731 -11.689 1.00 0.00 N ATOM 883 CA LYS A 59 2.667 9.269 -11.875 1.00 0.00 C ATOM 884 C LYS A 59 3.904 8.860 -11.071 1.00 0.00 C ATOM 885 O LYS A 59 3.984 7.770 -10.552 1.00 0.00 O ATOM 886 CB LYS A 59 2.853 8.929 -13.366 1.00 0.00 C ATOM 887 CG LYS A 59 2.228 7.548 -13.676 1.00 0.00 C ATOM 888 CD LYS A 59 0.734 7.711 -13.977 1.00 0.00 C ATOM 889 CE LYS A 59 0.126 6.344 -14.290 1.00 0.00 C ATOM 890 NZ LYS A 59 -1.360 6.457 -14.344 1.00 0.00 N ATOM 0 H LYS A 59 2.406 11.285 -12.544 1.00 0.00 H new ATOM 0 HA LYS A 59 1.792 8.722 -11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.385 9.696 -13.983 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.914 8.922 -13.616 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.733 7.093 -14.528 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.367 6.877 -12.828 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.227 8.160 -13.123 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.594 8.386 -14.822 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.507 5.975 -15.242 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.418 5.622 -13.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.771 5.526 -14.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.716 6.791 -13.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.630 7.133 -15.087 1.00 0.00 H new ATOM 904 N ASP A 60 4.862 9.738 -10.929 1.00 0.00 N ATOM 905 CA ASP A 60 6.054 9.371 -10.118 1.00 0.00 C ATOM 906 C ASP A 60 5.536 8.937 -8.748 1.00 0.00 C ATOM 907 O ASP A 60 6.053 8.035 -8.120 1.00 0.00 O ATOM 908 CB ASP A 60 6.997 10.580 -9.972 1.00 0.00 C ATOM 909 CG ASP A 60 8.408 10.092 -9.624 1.00 0.00 C ATOM 910 OD1 ASP A 60 8.622 9.729 -8.479 1.00 0.00 O ATOM 911 OD2 ASP A 60 9.247 10.092 -10.508 1.00 0.00 O ATOM 0 H ASP A 60 4.870 10.675 -11.332 1.00 0.00 H new ATOM 0 HA ASP A 60 6.619 8.571 -10.596 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.018 11.152 -10.900 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.630 11.248 -9.193 1.00 0.00 H new ATOM 916 N PHE A 61 4.479 9.562 -8.302 1.00 0.00 N ATOM 917 CA PHE A 61 3.887 9.174 -7.000 1.00 0.00 C ATOM 918 C PHE A 61 3.523 7.690 -7.077 1.00 0.00 C ATOM 919 O PHE A 61 3.852 6.919 -6.200 1.00 0.00 O ATOM 920 CB PHE A 61 2.649 10.043 -6.727 1.00 0.00 C ATOM 921 CG PHE A 61 2.198 9.906 -5.279 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.084 10.168 -4.216 1.00 0.00 C ATOM 923 CD2 PHE A 61 0.875 9.529 -5.000 1.00 0.00 C ATOM 924 CE1 PHE A 61 2.645 10.046 -2.892 1.00 0.00 C ATOM 925 CE2 PHE A 61 0.443 9.412 -3.676 1.00 0.00 C ATOM 926 CZ PHE A 61 1.327 9.667 -2.622 1.00 0.00 C ATOM 0 H PHE A 61 4.004 10.323 -8.787 1.00 0.00 H new ATOM 0 HA PHE A 61 4.589 9.330 -6.181 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.877 11.087 -6.944 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.839 9.749 -7.394 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.102 10.463 -4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.189 9.329 -5.810 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.326 10.245 -2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.576 9.124 -3.466 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.991 9.571 -1.600 1.00 0.00 H new ATOM 936 N ARG A 62 2.883 7.270 -8.145 1.00 0.00 N ATOM 937 CA ARG A 62 2.553 5.822 -8.282 1.00 0.00 C ATOM 938 C ARG A 62 3.831 5.026 -8.060 1.00 0.00 C ATOM 939 O ARG A 62 3.808 3.963 -7.493 1.00 0.00 O ATOM 940 CB ARG A 62 2.006 5.531 -9.686 1.00 0.00 C ATOM 941 CG ARG A 62 1.785 4.004 -9.885 1.00 0.00 C ATOM 942 CD ARG A 62 2.842 3.441 -10.837 1.00 0.00 C ATOM 943 NE ARG A 62 2.605 1.986 -11.048 1.00 0.00 N ATOM 944 CZ ARG A 62 3.297 1.337 -11.944 1.00 0.00 C ATOM 945 NH1 ARG A 62 4.195 1.964 -12.653 1.00 0.00 N ATOM 946 NH2 ARG A 62 3.091 0.062 -12.130 1.00 0.00 N ATOM 0 H ARG A 62 2.580 7.863 -8.917 1.00 0.00 H new ATOM 0 HA ARG A 62 1.793 5.544 -7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.065 6.062 -9.832 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.702 5.904 -10.437 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.840 3.492 -8.924 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.788 3.822 -10.287 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.803 3.967 -11.791 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.838 3.601 -10.425 1.00 0.00 H new ATOM 0 HE ARG A 62 1.903 1.497 -10.493 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.356 2.961 -12.507 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.736 1.458 -13.354 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.389 -0.427 -11.575 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.632 -0.445 -12.830 1.00 0.00 H new ATOM 960 N HIS A 63 4.953 5.540 -8.484 1.00 0.00 N ATOM 961 CA HIS A 63 6.223 4.797 -8.265 1.00 0.00 C ATOM 962 C HIS A 63 6.347 4.478 -6.773 1.00 0.00 C ATOM 963 O HIS A 63 6.742 3.400 -6.396 1.00 0.00 O ATOM 964 CB HIS A 63 7.419 5.647 -8.722 1.00 0.00 C ATOM 965 CG HIS A 63 8.611 4.761 -8.983 1.00 0.00 C ATOM 966 ND1 HIS A 63 8.480 3.461 -9.447 1.00 0.00 N ATOM 967 CD2 HIS A 63 9.961 4.975 -8.847 1.00 0.00 C ATOM 968 CE1 HIS A 63 9.718 2.948 -9.573 1.00 0.00 C ATOM 969 NE2 HIS A 63 10.658 3.829 -9.220 1.00 0.00 N ATOM 0 H HIS A 63 5.044 6.433 -8.968 1.00 0.00 H new ATOM 0 HA HIS A 63 6.217 3.874 -8.845 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.160 6.198 -9.626 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.664 6.385 -7.958 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.413 5.893 -8.503 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.926 1.946 -9.918 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.669 3.692 -9.223 1.00 0.00 H new ATOM 977 N GLY A 64 5.993 5.408 -5.921 1.00 0.00 N ATOM 978 CA GLY A 64 6.081 5.145 -4.450 1.00 0.00 C ATOM 979 C GLY A 64 5.081 4.045 -4.087 1.00 0.00 C ATOM 980 O GLY A 64 5.403 3.089 -3.408 1.00 0.00 O ATOM 0 H GLY A 64 5.649 6.333 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.092 4.840 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.862 6.054 -3.890 1.00 0.00 H new ATOM 984 N PHE A 65 3.873 4.165 -4.562 1.00 0.00 N ATOM 985 CA PHE A 65 2.844 3.127 -4.284 1.00 0.00 C ATOM 986 C PHE A 65 3.246 1.862 -5.032 1.00 0.00 C ATOM 987 O PHE A 65 3.021 0.759 -4.590 1.00 0.00 O ATOM 988 CB PHE A 65 1.501 3.617 -4.858 1.00 0.00 C ATOM 989 CG PHE A 65 0.619 4.176 -3.777 1.00 0.00 C ATOM 990 CD1 PHE A 65 -0.213 3.326 -3.045 1.00 0.00 C ATOM 991 CD2 PHE A 65 0.622 5.545 -3.524 1.00 0.00 C ATOM 992 CE1 PHE A 65 -1.046 3.852 -2.053 1.00 0.00 C ATOM 993 CE2 PHE A 65 -0.209 6.074 -2.541 1.00 0.00 C ATOM 994 CZ PHE A 65 -1.046 5.229 -1.802 1.00 0.00 C ATOM 0 H PHE A 65 3.553 4.945 -5.136 1.00 0.00 H new ATOM 0 HA PHE A 65 2.759 2.938 -3.214 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.683 4.381 -5.614 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.992 2.791 -5.355 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.213 2.265 -3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.270 6.197 -4.091 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.688 3.198 -1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.208 7.137 -2.348 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.691 5.639 -1.039 1.00 0.00 H new ATOM 1004 N ASP A 66 3.811 2.036 -6.184 1.00 0.00 N ATOM 1005 CA ASP A 66 4.198 0.874 -7.011 1.00 0.00 C ATOM 1006 C ASP A 66 5.026 -0.099 -6.165 1.00 0.00 C ATOM 1007 O ASP A 66 4.783 -1.290 -6.158 1.00 0.00 O ATOM 1008 CB ASP A 66 5.044 1.341 -8.198 1.00 0.00 C ATOM 1009 CG ASP A 66 5.270 0.171 -9.157 1.00 0.00 C ATOM 1010 OD1 ASP A 66 4.379 -0.103 -9.943 1.00 0.00 O ATOM 1011 OD2 ASP A 66 6.330 -0.429 -9.091 1.00 0.00 O ATOM 0 H ASP A 66 4.024 2.946 -6.593 1.00 0.00 H new ATOM 0 HA ASP A 66 3.297 0.380 -7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.542 2.158 -8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.001 1.727 -7.846 1.00 0.00 H new ATOM 1016 N ILE A 67 6.001 0.397 -5.450 1.00 0.00 N ATOM 1017 CA ILE A 67 6.836 -0.505 -4.607 1.00 0.00 C ATOM 1018 C ILE A 67 5.976 -1.139 -3.514 1.00 0.00 C ATOM 1019 O ILE A 67 5.821 -2.342 -3.452 1.00 0.00 O ATOM 1020 CB ILE A 67 7.974 0.283 -3.945 1.00 0.00 C ATOM 1021 CG1 ILE A 67 8.641 1.210 -4.988 1.00 0.00 C ATOM 1022 CG2 ILE A 67 8.993 -0.713 -3.367 1.00 0.00 C ATOM 1023 CD1 ILE A 67 10.093 1.522 -4.592 1.00 0.00 C ATOM 0 H ILE A 67 6.254 1.384 -5.414 1.00 0.00 H new ATOM 0 HA ILE A 67 7.256 -1.281 -5.247 1.00 0.00 H new ATOM 0 HB ILE A 67 7.585 0.904 -3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.621 0.735 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.075 2.138 -5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.808 -0.166 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.503 -1.347 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.391 -1.333 -4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 67 10.542 2.175 -5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.107 2.018 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.661 0.594 -4.533 1.00 0.00 H new ATOM 1035 N LEU A 68 5.435 -0.340 -2.634 1.00 0.00 N ATOM 1036 CA LEU A 68 4.612 -0.911 -1.537 1.00 0.00 C ATOM 1037 C LEU A 68 3.519 -1.815 -2.137 1.00 0.00 C ATOM 1038 O LEU A 68 3.234 -2.883 -1.621 1.00 0.00 O ATOM 1039 CB LEU A 68 4.051 0.242 -0.663 1.00 0.00 C ATOM 1040 CG LEU A 68 2.707 0.789 -1.194 1.00 0.00 C ATOM 1041 CD1 LEU A 68 1.524 -0.094 -0.715 1.00 0.00 C ATOM 1042 CD2 LEU A 68 2.516 2.242 -0.682 1.00 0.00 C ATOM 0 H LEU A 68 5.528 0.676 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 68 5.213 -1.539 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.916 -0.114 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.779 1.052 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 68 2.724 0.775 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.588 0.311 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.658 -1.112 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.494 -0.102 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.570 2.637 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.510 2.246 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.335 2.865 -1.042 1.00 0.00 H new ATOM 1054 N VAL A 69 2.935 -1.429 -3.241 1.00 0.00 N ATOM 1055 CA VAL A 69 1.902 -2.291 -3.883 1.00 0.00 C ATOM 1056 C VAL A 69 2.559 -3.574 -4.441 1.00 0.00 C ATOM 1057 O VAL A 69 1.902 -4.576 -4.666 1.00 0.00 O ATOM 1058 CB VAL A 69 1.227 -1.499 -5.016 1.00 0.00 C ATOM 1059 CG1 VAL A 69 0.441 -2.438 -5.919 1.00 0.00 C ATOM 1060 CG2 VAL A 69 0.280 -0.458 -4.410 1.00 0.00 C ATOM 0 H VAL A 69 3.130 -0.553 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 69 1.152 -2.581 -3.147 1.00 0.00 H new ATOM 0 HB VAL A 69 1.994 -1.000 -5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.032 -1.865 -6.717 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.116 -3.175 -6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.325 -2.948 -5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.201 0.106 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.480 -0.962 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.847 0.224 -3.775 1.00 0.00 H new ATOM 1070 N GLY A 70 3.844 -3.540 -4.690 1.00 0.00 N ATOM 1071 CA GLY A 70 4.538 -4.736 -5.266 1.00 0.00 C ATOM 1072 C GLY A 70 4.652 -5.870 -4.247 1.00 0.00 C ATOM 1073 O GLY A 70 4.282 -6.992 -4.527 1.00 0.00 O ATOM 0 H GLY A 70 4.445 -2.734 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.991 -5.087 -6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.534 -4.450 -5.605 1.00 0.00 H new ATOM 1077 N GLN A 71 5.172 -5.612 -3.083 1.00 0.00 N ATOM 1078 CA GLN A 71 5.310 -6.719 -2.094 1.00 0.00 C ATOM 1079 C GLN A 71 3.928 -7.185 -1.654 1.00 0.00 C ATOM 1080 O GLN A 71 3.762 -8.292 -1.180 1.00 0.00 O ATOM 1081 CB GLN A 71 6.113 -6.237 -0.880 1.00 0.00 C ATOM 1082 CG GLN A 71 5.296 -5.201 -0.082 1.00 0.00 C ATOM 1083 CD GLN A 71 4.345 -5.918 0.877 1.00 0.00 C ATOM 1084 OE1 GLN A 71 3.220 -5.500 1.072 1.00 0.00 O ATOM 1085 NE2 GLN A 71 4.760 -6.993 1.482 1.00 0.00 N ATOM 0 H GLN A 71 5.504 -4.698 -2.774 1.00 0.00 H new ATOM 0 HA GLN A 71 5.838 -7.552 -2.557 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.365 -7.084 -0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.054 -5.795 -1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.966 -4.548 0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.729 -4.567 -0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.705 -7.340 1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.141 -7.489 2.123 1.00 0.00 H new ATOM 1094 N ILE A 72 2.929 -6.370 -1.823 1.00 0.00 N ATOM 1095 CA ILE A 72 1.567 -6.806 -1.428 1.00 0.00 C ATOM 1096 C ILE A 72 1.217 -8.054 -2.249 1.00 0.00 C ATOM 1097 O ILE A 72 1.012 -9.132 -1.721 1.00 0.00 O ATOM 1098 CB ILE A 72 0.563 -5.684 -1.749 1.00 0.00 C ATOM 1099 CG1 ILE A 72 0.588 -4.624 -0.634 1.00 0.00 C ATOM 1100 CG2 ILE A 72 -0.859 -6.252 -1.870 1.00 0.00 C ATOM 1101 CD1 ILE A 72 -0.273 -3.406 -1.030 1.00 0.00 C ATOM 0 H ILE A 72 2.995 -5.430 -2.214 1.00 0.00 H new ATOM 0 HA ILE A 72 1.527 -7.027 -0.361 1.00 0.00 H new ATOM 0 HB ILE A 72 0.849 -5.229 -2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.214 -5.055 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.614 -4.307 -0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.555 -5.445 -2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.888 -6.992 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.144 -6.723 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.245 -2.665 -0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.119 -2.966 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.302 -3.725 -1.193 1.00 0.00 H new ATOM 1113 N ASP A 73 1.138 -7.903 -3.542 1.00 0.00 N ATOM 1114 CA ASP A 73 0.789 -9.060 -4.408 1.00 0.00 C ATOM 1115 C ASP A 73 1.819 -10.170 -4.239 1.00 0.00 C ATOM 1116 O ASP A 73 1.491 -11.330 -4.292 1.00 0.00 O ATOM 1117 CB ASP A 73 0.756 -8.617 -5.866 1.00 0.00 C ATOM 1118 CG ASP A 73 2.100 -7.993 -6.244 1.00 0.00 C ATOM 1119 OD1 ASP A 73 3.077 -8.722 -6.297 1.00 0.00 O ATOM 1120 OD2 ASP A 73 2.130 -6.796 -6.476 1.00 0.00 O ATOM 0 H ASP A 73 1.301 -7.025 -4.036 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.192 -9.436 -4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.546 -9.470 -6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.047 -7.896 -6.019 1.00 0.00 H new ATOM 1125 N ASP A 74 3.065 -9.857 -4.035 1.00 0.00 N ATOM 1126 CA ASP A 74 4.032 -10.967 -3.883 1.00 0.00 C ATOM 1127 C ASP A 74 3.603 -11.802 -2.682 1.00 0.00 C ATOM 1128 O ASP A 74 3.919 -12.968 -2.581 1.00 0.00 O ATOM 1129 CB ASP A 74 5.441 -10.409 -3.719 1.00 0.00 C ATOM 1130 CG ASP A 74 6.460 -11.552 -3.729 1.00 0.00 C ATOM 1131 OD1 ASP A 74 6.163 -12.593 -3.170 1.00 0.00 O ATOM 1132 OD2 ASP A 74 7.522 -11.365 -4.299 1.00 0.00 O ATOM 0 H ASP A 74 3.444 -8.913 -3.969 1.00 0.00 H new ATOM 0 HA ASP A 74 4.044 -11.602 -4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.660 -9.708 -4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.515 -9.853 -2.784 1.00 0.00 H new ATOM 1137 N ALA A 75 2.816 -11.239 -1.805 1.00 0.00 N ATOM 1138 CA ALA A 75 2.313 -12.052 -0.676 1.00 0.00 C ATOM 1139 C ALA A 75 1.281 -13.004 -1.280 1.00 0.00 C ATOM 1140 O ALA A 75 1.159 -14.153 -0.900 1.00 0.00 O ATOM 1141 CB ALA A 75 1.656 -11.168 0.379 1.00 0.00 C ATOM 0 H ALA A 75 2.507 -10.267 -1.825 1.00 0.00 H new ATOM 0 HA ALA A 75 3.124 -12.588 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.294 -11.788 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.385 -10.453 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.819 -10.631 -0.067 1.00 0.00 H new ATOM 1147 N LEU A 76 0.573 -12.514 -2.268 1.00 0.00 N ATOM 1148 CA LEU A 76 -0.435 -13.346 -2.989 1.00 0.00 C ATOM 1149 C LEU A 76 0.309 -14.557 -3.536 1.00 0.00 C ATOM 1150 O LEU A 76 -0.162 -15.674 -3.515 1.00 0.00 O ATOM 1151 CB LEU A 76 -1.002 -12.490 -4.143 1.00 0.00 C ATOM 1152 CG LEU A 76 -2.342 -13.042 -4.667 1.00 0.00 C ATOM 1153 CD1 LEU A 76 -3.091 -11.934 -5.424 1.00 0.00 C ATOM 1154 CD2 LEU A 76 -2.105 -14.217 -5.625 1.00 0.00 C ATOM 0 H LEU A 76 0.654 -11.556 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.254 -13.671 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.142 -11.465 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.280 -12.457 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.930 -13.385 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.039 -12.324 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.281 -11.098 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.485 -11.594 -6.264 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.063 -14.593 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.507 -13.881 -6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.577 -15.013 -5.101 1.00 0.00 H new ATOM 1166 N LYS A 77 1.495 -14.312 -4.001 1.00 0.00 N ATOM 1167 CA LYS A 77 2.356 -15.383 -4.550 1.00 0.00 C ATOM 1168 C LYS A 77 2.691 -16.391 -3.449 1.00 0.00 C ATOM 1169 O LYS A 77 2.614 -17.595 -3.624 1.00 0.00 O ATOM 1170 CB LYS A 77 3.631 -14.693 -5.053 1.00 0.00 C ATOM 1171 CG LYS A 77 4.293 -15.496 -6.167 1.00 0.00 C ATOM 1172 CD LYS A 77 5.529 -14.721 -6.701 1.00 0.00 C ATOM 1173 CE LYS A 77 6.800 -15.203 -5.991 1.00 0.00 C ATOM 1174 NZ LYS A 77 7.152 -16.567 -6.476 1.00 0.00 N ATOM 0 H LYS A 77 1.915 -13.383 -4.023 1.00 0.00 H new ATOM 0 HA LYS A 77 1.862 -15.926 -5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.387 -13.695 -5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.330 -14.569 -4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.597 -16.474 -5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.583 -15.670 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.625 -14.870 -7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.396 -13.651 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.621 -14.513 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.644 -15.218 -4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.169 -16.734 -6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.608 -17.276 -5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.925 -16.645 -7.488 1.00 0.00 H new ATOM 1188 N LEU A 78 3.062 -15.891 -2.319 1.00 0.00 N ATOM 1189 CA LEU A 78 3.420 -16.749 -1.177 1.00 0.00 C ATOM 1190 C LEU A 78 2.185 -17.528 -0.698 1.00 0.00 C ATOM 1191 O LEU A 78 2.202 -18.736 -0.610 1.00 0.00 O ATOM 1192 CB LEU A 78 3.929 -15.799 -0.091 1.00 0.00 C ATOM 1193 CG LEU A 78 5.462 -15.771 -0.071 1.00 0.00 C ATOM 1194 CD1 LEU A 78 5.977 -15.133 -1.361 1.00 0.00 C ATOM 1195 CD2 LEU A 78 5.933 -14.953 1.125 1.00 0.00 C ATOM 0 H LEU A 78 3.134 -14.890 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 78 4.178 -17.488 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.544 -14.795 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.553 -16.116 0.882 1.00 0.00 H new ATOM 0 HG LEU A 78 5.846 -16.788 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.067 -15.113 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.636 -15.716 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.596 -14.115 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.023 -14.930 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.550 -13.936 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.564 -15.407 2.045 1.00 0.00 H new ATOM 1207 N ALA A 79 1.120 -16.844 -0.376 1.00 0.00 N ATOM 1208 CA ALA A 79 -0.105 -17.544 0.108 1.00 0.00 C ATOM 1209 C ALA A 79 -0.403 -18.757 -0.783 1.00 0.00 C ATOM 1210 O ALA A 79 -0.811 -19.798 -0.306 1.00 0.00 O ATOM 1211 CB ALA A 79 -1.288 -16.572 0.070 1.00 0.00 C ATOM 0 H ALA A 79 1.045 -15.828 -0.427 1.00 0.00 H new ATOM 0 HA ALA A 79 0.055 -17.888 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.186 -17.078 0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.077 -15.717 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.443 -16.228 -0.952 1.00 0.00 H new ATOM 1217 N ASN A 80 -0.188 -18.647 -2.067 1.00 0.00 N ATOM 1218 CA ASN A 80 -0.447 -19.817 -2.954 1.00 0.00 C ATOM 1219 C ASN A 80 0.536 -20.923 -2.569 1.00 0.00 C ATOM 1220 O ASN A 80 0.266 -22.099 -2.719 1.00 0.00 O ATOM 1221 CB ASN A 80 -0.245 -19.420 -4.423 1.00 0.00 C ATOM 1222 CG ASN A 80 -0.686 -17.972 -4.630 1.00 0.00 C ATOM 1223 OD1 ASN A 80 -1.723 -17.507 -3.984 1.00 0.00 O flip ATOM 1224 ND2 ASN A 80 -0.078 -17.248 -5.393 1.00 0.00 N flip ATOM 0 H ASN A 80 0.152 -17.807 -2.536 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.474 -20.163 -2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 80 0.803 -19.534 -4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.820 -20.082 -5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.732 -17.606 -5.899 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.377 -16.282 -5.527 1.00 0.00 H new ATOM 1231 N GLU A 81 1.673 -20.541 -2.056 1.00 0.00 N ATOM 1232 CA GLU A 81 2.688 -21.548 -1.634 1.00 0.00 C ATOM 1233 C GLU A 81 2.365 -22.010 -0.207 1.00 0.00 C ATOM 1234 O GLU A 81 3.097 -22.769 0.395 1.00 0.00 O ATOM 1235 CB GLU A 81 4.078 -20.904 -1.667 1.00 0.00 C ATOM 1236 CG GLU A 81 5.163 -21.981 -1.560 1.00 0.00 C ATOM 1237 CD GLU A 81 6.522 -21.369 -1.900 1.00 0.00 C ATOM 1238 OE1 GLU A 81 6.972 -20.522 -1.147 1.00 0.00 O ATOM 1239 OE2 GLU A 81 7.088 -21.755 -2.909 1.00 0.00 O ATOM 0 H GLU A 81 1.944 -19.569 -1.910 1.00 0.00 H new ATOM 0 HA GLU A 81 2.671 -22.404 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.204 -20.341 -2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.178 -20.194 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.181 -22.396 -0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.942 -22.804 -2.240 1.00 0.00 H new ATOM 1246 N GLY A 82 1.252 -21.575 0.329 1.00 0.00 N ATOM 1247 CA GLY A 82 0.855 -22.005 1.707 1.00 0.00 C ATOM 1248 C GLY A 82 1.495 -21.106 2.773 1.00 0.00 C ATOM 1249 O GLY A 82 1.938 -21.579 3.801 1.00 0.00 O ATOM 0 H GLY A 82 0.599 -20.939 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.230 -21.972 1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.158 -23.039 1.870 1.00 0.00 H new ATOM 1253 N LYS A 83 1.541 -19.816 2.550 1.00 0.00 N ATOM 1254 CA LYS A 83 2.143 -18.894 3.564 1.00 0.00 C ATOM 1255 C LYS A 83 1.041 -18.230 4.375 1.00 0.00 C ATOM 1256 O LYS A 83 0.976 -17.023 4.487 1.00 0.00 O ATOM 1257 CB LYS A 83 2.937 -17.808 2.846 1.00 0.00 C ATOM 1258 CG LYS A 83 4.131 -18.388 2.049 1.00 0.00 C ATOM 1259 CD LYS A 83 4.770 -19.609 2.729 1.00 0.00 C ATOM 1260 CE LYS A 83 6.055 -19.983 1.988 1.00 0.00 C ATOM 1261 NZ LYS A 83 7.071 -18.911 2.185 1.00 0.00 N ATOM 0 H LYS A 83 1.187 -19.360 1.709 1.00 0.00 H new ATOM 0 HA LYS A 83 2.794 -19.466 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.278 -17.267 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.305 -17.087 3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.793 -18.670 1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.887 -17.613 1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.990 -19.385 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.075 -20.449 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.438 -20.934 2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.850 -20.114 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.254 -18.435 1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.715 -18.218 2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.954 -19.330 2.540 1.00 0.00 H new ATOM 1275 N VAL A 84 0.190 -19.008 4.954 1.00 0.00 N ATOM 1276 CA VAL A 84 -0.903 -18.428 5.779 1.00 0.00 C ATOM 1277 C VAL A 84 -0.295 -17.602 6.919 1.00 0.00 C ATOM 1278 O VAL A 84 -0.786 -16.545 7.264 1.00 0.00 O ATOM 1279 CB VAL A 84 -1.754 -19.561 6.366 1.00 0.00 C ATOM 1280 CG1 VAL A 84 -3.095 -19.004 6.849 1.00 0.00 C ATOM 1281 CG2 VAL A 84 -2.004 -20.618 5.289 1.00 0.00 C ATOM 0 H VAL A 84 0.198 -20.026 4.896 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.529 -17.787 5.158 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.225 -20.010 7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.696 -19.812 7.265 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.921 -18.250 7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.625 -18.553 6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.609 -21.424 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.531 -20.164 4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.051 -21.019 4.945 1.00 0.00 H new ATOM 1291 N LYS A 85 0.770 -18.080 7.512 1.00 0.00 N ATOM 1292 CA LYS A 85 1.406 -17.331 8.631 1.00 0.00 C ATOM 1293 C LYS A 85 2.208 -16.150 8.078 1.00 0.00 C ATOM 1294 O LYS A 85 2.055 -15.022 8.501 1.00 0.00 O ATOM 1295 CB LYS A 85 2.322 -18.279 9.444 1.00 0.00 C ATOM 1296 CG LYS A 85 2.901 -19.405 8.560 1.00 0.00 C ATOM 1297 CD LYS A 85 3.822 -20.321 9.404 1.00 0.00 C ATOM 1298 CE LYS A 85 3.043 -21.539 9.926 1.00 0.00 C ATOM 1299 NZ LYS A 85 1.659 -21.135 10.306 1.00 0.00 N ATOM 0 H LYS A 85 1.225 -18.959 7.267 1.00 0.00 H new ATOM 0 HA LYS A 85 0.631 -16.944 9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.138 -17.707 9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.756 -18.716 10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.091 -19.991 8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.463 -18.975 7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.665 -20.654 8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.233 -19.759 10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.007 -22.314 9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.555 -21.967 10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.145 -21.961 10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.701 -20.399 11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.164 -20.763 9.470 1.00 0.00 H new ATOM 1313 N GLU A 86 3.067 -16.417 7.145 1.00 0.00 N ATOM 1314 CA GLU A 86 3.907 -15.352 6.548 1.00 0.00 C ATOM 1315 C GLU A 86 3.004 -14.333 5.839 1.00 0.00 C ATOM 1316 O GLU A 86 3.216 -13.139 5.918 1.00 0.00 O ATOM 1317 CB GLU A 86 4.868 -16.034 5.540 1.00 0.00 C ATOM 1318 CG GLU A 86 6.319 -16.012 6.047 1.00 0.00 C ATOM 1319 CD GLU A 86 7.279 -16.294 4.889 1.00 0.00 C ATOM 1320 OE1 GLU A 86 6.801 -16.529 3.792 1.00 0.00 O ATOM 1321 OE2 GLU A 86 8.477 -16.267 5.121 1.00 0.00 O ATOM 0 H GLU A 86 3.226 -17.349 6.762 1.00 0.00 H new ATOM 0 HA GLU A 86 4.481 -14.822 7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.554 -17.065 5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.809 -15.526 4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.544 -15.042 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.451 -16.758 6.831 1.00 0.00 H new ATOM 1328 N ALA A 87 2.002 -14.797 5.148 1.00 0.00 N ATOM 1329 CA ALA A 87 1.092 -13.855 4.434 1.00 0.00 C ATOM 1330 C ALA A 87 0.437 -12.917 5.450 1.00 0.00 C ATOM 1331 O ALA A 87 0.386 -11.720 5.252 1.00 0.00 O ATOM 1332 CB ALA A 87 0.009 -14.646 3.697 1.00 0.00 C ATOM 0 H ALA A 87 1.772 -15.786 5.046 1.00 0.00 H new ATOM 0 HA ALA A 87 1.665 -13.271 3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.655 -13.956 3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.476 -15.316 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.566 -15.231 4.415 1.00 0.00 H new ATOM 1338 N GLN A 88 -0.055 -13.441 6.541 1.00 0.00 N ATOM 1339 CA GLN A 88 -0.689 -12.551 7.556 1.00 0.00 C ATOM 1340 C GLN A 88 0.387 -11.612 8.113 1.00 0.00 C ATOM 1341 O GLN A 88 0.151 -10.441 8.343 1.00 0.00 O ATOM 1342 CB GLN A 88 -1.305 -13.401 8.691 1.00 0.00 C ATOM 1343 CG GLN A 88 -2.769 -13.726 8.375 1.00 0.00 C ATOM 1344 CD GLN A 88 -3.433 -14.335 9.609 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -3.572 -13.685 10.625 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -3.849 -15.567 9.561 1.00 0.00 N ATOM 0 H GLN A 88 -0.046 -14.435 6.772 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.487 -11.966 7.099 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.738 -14.324 8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.241 -12.861 9.636 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.297 -12.821 8.074 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.826 -14.422 7.538 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.732 -16.112 8.707 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.292 -15.988 10.378 1.00 0.00 H new ATOM 1355 N ALA A 89 1.577 -12.108 8.311 1.00 0.00 N ATOM 1356 CA ALA A 89 2.665 -11.230 8.826 1.00 0.00 C ATOM 1357 C ALA A 89 2.918 -10.136 7.789 1.00 0.00 C ATOM 1358 O ALA A 89 3.113 -8.975 8.113 1.00 0.00 O ATOM 1359 CB ALA A 89 3.940 -12.050 9.033 1.00 0.00 C ATOM 0 H ALA A 89 1.842 -13.078 8.140 1.00 0.00 H new ATOM 0 HA ALA A 89 2.376 -10.790 9.781 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.732 -11.403 9.410 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.748 -12.845 9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.250 -12.487 8.084 1.00 0.00 H new ATOM 1365 N ALA A 90 2.889 -10.492 6.534 1.00 0.00 N ATOM 1366 CA ALA A 90 3.100 -9.470 5.480 1.00 0.00 C ATOM 1367 C ALA A 90 1.990 -8.436 5.616 1.00 0.00 C ATOM 1368 O ALA A 90 2.121 -7.300 5.208 1.00 0.00 O ATOM 1369 CB ALA A 90 3.028 -10.130 4.100 1.00 0.00 C ATOM 0 H ALA A 90 2.729 -11.442 6.198 1.00 0.00 H new ATOM 0 HA ALA A 90 4.078 -9.000 5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.183 -9.377 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.801 -10.895 4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.048 -10.589 3.967 1.00 0.00 H new ATOM 1375 N ALA A 91 0.900 -8.830 6.215 1.00 0.00 N ATOM 1376 CA ALA A 91 -0.231 -7.889 6.417 1.00 0.00 C ATOM 1377 C ALA A 91 0.232 -6.753 7.338 1.00 0.00 C ATOM 1378 O ALA A 91 0.016 -5.590 7.063 1.00 0.00 O ATOM 1379 CB ALA A 91 -1.401 -8.656 7.053 1.00 0.00 C ATOM 0 H ALA A 91 0.746 -9.772 6.575 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.558 -7.465 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.240 -7.977 7.208 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.707 -9.467 6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.087 -9.069 8.012 1.00 0.00 H new ATOM 1385 N GLU A 92 0.871 -7.088 8.428 1.00 0.00 N ATOM 1386 CA GLU A 92 1.354 -6.034 9.369 1.00 0.00 C ATOM 1387 C GLU A 92 2.386 -5.157 8.659 1.00 0.00 C ATOM 1388 O GLU A 92 2.731 -4.088 9.124 1.00 0.00 O ATOM 1389 CB GLU A 92 1.978 -6.703 10.610 1.00 0.00 C ATOM 1390 CG GLU A 92 0.899 -6.931 11.686 1.00 0.00 C ATOM 1391 CD GLU A 92 1.308 -8.090 12.602 1.00 0.00 C ATOM 1392 OE1 GLU A 92 1.023 -9.223 12.252 1.00 0.00 O ATOM 1393 OE2 GLU A 92 1.901 -7.823 13.634 1.00 0.00 O ATOM 0 H GLU A 92 1.080 -8.046 8.708 1.00 0.00 H new ATOM 0 HA GLU A 92 0.520 -5.409 9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.431 -7.654 10.331 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.775 -6.075 11.010 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.762 -6.023 12.274 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.058 -7.151 11.212 1.00 0.00 H new ATOM 1400 N GLN A 93 2.872 -5.592 7.533 1.00 0.00 N ATOM 1401 CA GLN A 93 3.868 -4.776 6.791 1.00 0.00 C ATOM 1402 C GLN A 93 3.110 -3.655 6.070 1.00 0.00 C ATOM 1403 O GLN A 93 3.518 -2.514 6.079 1.00 0.00 O ATOM 1404 CB GLN A 93 4.654 -5.720 5.831 1.00 0.00 C ATOM 1405 CG GLN A 93 4.300 -5.523 4.343 1.00 0.00 C ATOM 1406 CD GLN A 93 4.945 -4.238 3.828 1.00 0.00 C ATOM 1407 OE1 GLN A 93 5.120 -4.066 2.638 1.00 0.00 O ATOM 1408 NE2 GLN A 93 5.308 -3.325 4.679 1.00 0.00 N ATOM 0 H GLN A 93 2.622 -6.478 7.094 1.00 0.00 H new ATOM 0 HA GLN A 93 4.603 -4.305 7.444 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.723 -5.554 5.966 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.455 -6.755 6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.648 -6.376 3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.218 -5.473 4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.160 -3.471 5.678 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.740 -2.463 4.348 1.00 0.00 H new ATOM 1417 N LEU A 94 2.002 -3.972 5.472 1.00 0.00 N ATOM 1418 CA LEU A 94 1.200 -2.932 4.768 1.00 0.00 C ATOM 1419 C LEU A 94 0.591 -1.966 5.797 1.00 0.00 C ATOM 1420 O LEU A 94 0.543 -0.765 5.596 1.00 0.00 O ATOM 1421 CB LEU A 94 0.087 -3.633 3.984 1.00 0.00 C ATOM 1422 CG LEU A 94 -0.789 -2.618 3.236 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.034 -1.887 2.161 1.00 0.00 C ATOM 1424 CD2 LEU A 94 -1.942 -3.378 2.575 1.00 0.00 C ATOM 0 H LEU A 94 1.611 -4.914 5.438 1.00 0.00 H new ATOM 0 HA LEU A 94 1.832 -2.362 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.525 -4.333 3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.530 -4.217 4.667 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.172 -1.875 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.602 -1.171 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.863 -1.360 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.425 -2.612 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.579 -2.676 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.541 -4.113 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.528 -3.887 3.340 1.00 0.00 H new ATOM 1436 N LYS A 95 0.109 -2.493 6.891 1.00 0.00 N ATOM 1437 CA LYS A 95 -0.518 -1.630 7.939 1.00 0.00 C ATOM 1438 C LYS A 95 0.461 -0.545 8.401 1.00 0.00 C ATOM 1439 O LYS A 95 0.298 0.629 8.109 1.00 0.00 O ATOM 1440 CB LYS A 95 -0.914 -2.499 9.141 1.00 0.00 C ATOM 1441 CG LYS A 95 -2.097 -3.400 8.754 1.00 0.00 C ATOM 1442 CD LYS A 95 -2.329 -4.517 9.816 1.00 0.00 C ATOM 1443 CE LYS A 95 -3.560 -4.201 10.675 1.00 0.00 C ATOM 1444 NZ LYS A 95 -3.483 -4.975 11.946 1.00 0.00 N ATOM 0 H LYS A 95 0.122 -3.490 7.106 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.400 -1.150 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.067 -3.108 9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.186 -1.867 9.986 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.999 -2.797 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.908 -3.854 7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.464 -5.477 9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.449 -4.609 10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.605 -3.133 10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.471 -4.457 10.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.316 -4.764 12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.459 -5.992 11.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.620 -4.710 12.462 1.00 0.00 H new ATOM 1458 N THR A 96 1.465 -0.921 9.144 1.00 0.00 N ATOM 1459 CA THR A 96 2.428 0.092 9.648 1.00 0.00 C ATOM 1460 C THR A 96 3.183 0.747 8.485 1.00 0.00 C ATOM 1461 O THR A 96 3.715 1.829 8.631 1.00 0.00 O ATOM 1462 CB THR A 96 3.417 -0.569 10.623 1.00 0.00 C ATOM 1463 OG1 THR A 96 2.764 -1.635 11.298 1.00 0.00 O ATOM 1464 CG2 THR A 96 3.906 0.461 11.651 1.00 0.00 C ATOM 0 H THR A 96 1.658 -1.883 9.422 1.00 0.00 H new ATOM 0 HA THR A 96 1.875 0.869 10.175 1.00 0.00 H new ATOM 0 HB THR A 96 4.272 -0.951 10.066 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.390 -2.061 11.920 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.606 -0.015 12.338 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.405 1.281 11.135 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.055 0.849 12.211 1.00 0.00 H new ATOM 1472 N THR A 97 3.237 0.126 7.328 1.00 0.00 N ATOM 1473 CA THR A 97 3.964 0.773 6.190 1.00 0.00 C ATOM 1474 C THR A 97 3.455 2.214 6.071 1.00 0.00 C ATOM 1475 O THR A 97 4.205 3.151 6.183 1.00 0.00 O ATOM 1476 CB THR A 97 3.718 -0.003 4.882 1.00 0.00 C ATOM 1477 OG1 THR A 97 4.702 -1.014 4.757 1.00 0.00 O ATOM 1478 CG2 THR A 97 3.809 0.924 3.660 1.00 0.00 C ATOM 0 H THR A 97 2.818 -0.782 7.126 1.00 0.00 H new ATOM 0 HA THR A 97 5.038 0.768 6.373 1.00 0.00 H new ATOM 0 HB THR A 97 2.717 -0.434 4.920 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.749 -1.529 5.589 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.631 0.348 2.752 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.059 1.711 3.743 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.802 1.372 3.616 1.00 0.00 H new ATOM 1486 N ILE A 98 2.178 2.383 5.863 1.00 0.00 N ATOM 1487 CA ILE A 98 1.604 3.751 5.770 1.00 0.00 C ATOM 1488 C ILE A 98 1.943 4.524 7.050 1.00 0.00 C ATOM 1489 O ILE A 98 2.454 5.622 7.001 1.00 0.00 O ATOM 1490 CB ILE A 98 0.072 3.614 5.588 1.00 0.00 C ATOM 1491 CG1 ILE A 98 -0.241 3.196 4.119 1.00 0.00 C ATOM 1492 CG2 ILE A 98 -0.670 4.927 5.956 1.00 0.00 C ATOM 1493 CD1 ILE A 98 -0.346 1.669 4.012 1.00 0.00 C ATOM 0 H ILE A 98 1.504 1.625 5.753 1.00 0.00 H new ATOM 0 HA ILE A 98 2.018 4.299 4.924 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.288 2.842 6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -1.174 3.655 3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.542 3.561 3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.742 4.791 5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.470 5.178 6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.320 5.735 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.565 1.391 2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 98 0.598 1.217 4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.146 1.313 4.661 1.00 0.00 H new ATOM 1505 N ARG A 99 1.664 3.974 8.194 1.00 0.00 N ATOM 1506 CA ARG A 99 1.969 4.714 9.447 1.00 0.00 C ATOM 1507 C ARG A 99 3.476 5.033 9.539 1.00 0.00 C ATOM 1508 O ARG A 99 3.865 6.158 9.782 1.00 0.00 O ATOM 1509 CB ARG A 99 1.536 3.847 10.648 1.00 0.00 C ATOM 1510 CG ARG A 99 0.998 4.733 11.802 1.00 0.00 C ATOM 1511 CD ARG A 99 1.433 4.172 13.159 1.00 0.00 C ATOM 1512 NE ARG A 99 2.919 4.078 13.199 1.00 0.00 N ATOM 1513 CZ ARG A 99 3.520 3.698 14.291 1.00 0.00 C ATOM 1514 NH1 ARG A 99 2.820 3.397 15.349 1.00 0.00 N ATOM 1515 NH2 ARG A 99 4.823 3.624 14.326 1.00 0.00 N ATOM 0 H ARG A 99 1.242 3.054 8.317 1.00 0.00 H new ATOM 0 HA ARG A 99 1.425 5.659 9.452 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.765 3.143 10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.382 3.257 11.000 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.368 5.752 11.688 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.090 4.781 11.754 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.076 4.816 13.963 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.990 3.189 13.318 1.00 0.00 H new ATOM 0 HE ARG A 99 3.467 4.311 12.371 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.802 3.459 15.322 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.290 3.100 16.204 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.370 3.864 13.499 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.294 3.327 15.180 1.00 0.00 H new ATOM 1529 N ALA A 100 4.322 4.050 9.365 1.00 0.00 N ATOM 1530 CA ALA A 100 5.800 4.296 9.463 1.00 0.00 C ATOM 1531 C ALA A 100 6.244 5.264 8.365 1.00 0.00 C ATOM 1532 O ALA A 100 7.196 6.006 8.515 1.00 0.00 O ATOM 1533 CB ALA A 100 6.548 2.972 9.304 1.00 0.00 C ATOM 0 H ALA A 100 4.057 3.087 9.159 1.00 0.00 H new ATOM 0 HA ALA A 100 6.025 4.732 10.437 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.621 3.150 9.375 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.241 2.284 10.092 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.316 2.537 8.332 1.00 0.00 H new ATOM 1539 N TYR A 101 5.546 5.261 7.274 1.00 0.00 N ATOM 1540 CA TYR A 101 5.876 6.172 6.145 1.00 0.00 C ATOM 1541 C TYR A 101 5.495 7.589 6.566 1.00 0.00 C ATOM 1542 O TYR A 101 5.652 8.524 5.815 1.00 0.00 O ATOM 1543 CB TYR A 101 5.038 5.745 4.914 1.00 0.00 C ATOM 1544 CG TYR A 101 5.753 4.685 4.094 1.00 0.00 C ATOM 1545 CD1 TYR A 101 6.628 3.781 4.711 1.00 0.00 C ATOM 1546 CD2 TYR A 101 5.535 4.608 2.703 1.00 0.00 C ATOM 1547 CE1 TYR A 101 7.289 2.811 3.947 1.00 0.00 C ATOM 1548 CE2 TYR A 101 6.197 3.632 1.944 1.00 0.00 C ATOM 1549 CZ TYR A 101 7.073 2.737 2.566 1.00 0.00 C ATOM 1550 OH TYR A 101 7.727 1.780 1.816 1.00 0.00 O ATOM 0 H TYR A 101 4.743 4.654 7.109 1.00 0.00 H new ATOM 0 HA TYR A 101 6.936 6.130 5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 101 4.073 5.361 5.245 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.837 6.616 4.290 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.793 3.832 5.777 1.00 0.00 H new ATOM 0 HD2 TYR A 101 4.859 5.300 2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.967 2.119 4.424 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.030 3.572 0.879 1.00 0.00 H new ATOM 0 HH TYR A 101 7.464 1.865 0.876 1.00 0.00 H new ATOM 1560 N ASN A 102 4.939 7.708 7.753 1.00 0.00 N ATOM 1561 CA ASN A 102 4.451 9.021 8.283 1.00 0.00 C ATOM 1562 C ASN A 102 3.016 9.114 7.820 1.00 0.00 C ATOM 1563 O ASN A 102 2.664 9.976 7.036 1.00 0.00 O ATOM 1564 CB ASN A 102 5.249 10.216 7.737 1.00 0.00 C ATOM 1565 CG ASN A 102 4.943 11.449 8.586 1.00 0.00 C ATOM 1566 OD1 ASN A 102 5.717 11.825 9.443 1.00 0.00 O ATOM 1567 ND2 ASN A 102 3.828 12.098 8.375 1.00 0.00 N ATOM 0 H ASN A 102 4.801 6.925 8.392 1.00 0.00 H new ATOM 0 HA ASN A 102 4.563 9.061 9.366 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.317 9.998 7.761 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.985 10.401 6.696 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.605 12.924 8.931 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.181 11.779 7.654 1.00 0.00 H new ATOM 1574 N GLN A 103 2.192 8.187 8.243 1.00 0.00 N ATOM 1575 CA GLN A 103 0.803 8.162 7.766 1.00 0.00 C ATOM 1576 C GLN A 103 0.872 8.297 6.244 1.00 0.00 C ATOM 1577 O GLN A 103 0.311 9.184 5.632 1.00 0.00 O ATOM 1578 CB GLN A 103 0.042 9.301 8.424 1.00 0.00 C ATOM 1579 CG GLN A 103 -0.674 8.785 9.680 1.00 0.00 C ATOM 1580 CD GLN A 103 -1.829 7.883 9.252 1.00 0.00 C ATOM 1581 OE1 GLN A 103 -1.948 7.567 7.993 1.00 0.00 O flip ATOM 1582 NE2 GLN A 103 -2.628 7.465 10.067 1.00 0.00 N flip ATOM 0 H GLN A 103 2.437 7.448 8.902 1.00 0.00 H new ATOM 0 HA GLN A 103 0.276 7.243 8.021 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.729 10.105 8.689 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.683 9.718 7.725 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.022 8.233 10.311 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.047 9.621 10.272 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.531 7.715 11.051 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.396 6.864 9.767 1.00 0.00 H new ATOM 1591 N LYS A 104 1.612 7.388 5.672 1.00 0.00 N ATOM 1592 CA LYS A 104 1.848 7.327 4.223 1.00 0.00 C ATOM 1593 C LYS A 104 2.552 8.614 3.779 1.00 0.00 C ATOM 1594 O LYS A 104 3.763 8.640 3.687 1.00 0.00 O ATOM 1595 CB LYS A 104 0.510 7.056 3.538 1.00 0.00 C ATOM 1596 CG LYS A 104 0.556 7.390 2.046 1.00 0.00 C ATOM 1597 CD LYS A 104 1.813 6.749 1.420 1.00 0.00 C ATOM 1598 CE LYS A 104 1.619 6.584 -0.086 1.00 0.00 C ATOM 1599 NZ LYS A 104 2.942 6.383 -0.738 1.00 0.00 N ATOM 0 H LYS A 104 2.084 6.648 6.192 1.00 0.00 H new ATOM 0 HA LYS A 104 2.515 6.514 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.242 6.008 3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.270 7.646 4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.341 7.019 1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.575 8.470 1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.686 7.372 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.004 5.779 1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.969 5.733 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.128 7.465 -0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.810 6.271 -1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.548 7.208 -0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.393 5.530 -0.351 1.00 0.00 H new ATOM 1613 N TYR A 105 1.852 9.681 3.525 1.00 0.00 N ATOM 1614 CA TYR A 105 2.556 10.944 3.120 1.00 0.00 C ATOM 1615 C TYR A 105 1.762 12.149 3.635 1.00 0.00 C ATOM 1616 O TYR A 105 2.023 13.277 3.268 1.00 0.00 O ATOM 1617 CB TYR A 105 2.699 11.001 1.573 1.00 0.00 C ATOM 1618 CG TYR A 105 4.163 11.017 1.174 1.00 0.00 C ATOM 1619 CD1 TYR A 105 4.888 9.823 1.132 1.00 0.00 C ATOM 1620 CD2 TYR A 105 4.786 12.229 0.850 1.00 0.00 C ATOM 1621 CE1 TYR A 105 6.235 9.837 0.766 1.00 0.00 C ATOM 1622 CE2 TYR A 105 6.136 12.244 0.483 1.00 0.00 C ATOM 1623 CZ TYR A 105 6.862 11.047 0.441 1.00 0.00 C ATOM 1624 OH TYR A 105 8.194 11.061 0.080 1.00 0.00 O ATOM 0 H TYR A 105 0.835 9.742 3.577 1.00 0.00 H new ATOM 0 HA TYR A 105 3.555 10.964 3.555 1.00 0.00 H new ATOM 0 HB2 TYR A 105 2.203 10.140 1.124 1.00 0.00 H new ATOM 0 HB3 TYR A 105 2.202 11.891 1.189 1.00 0.00 H new ATOM 0 HD1 TYR A 105 4.406 8.890 1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 105 4.225 13.151 0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.795 8.914 0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.618 13.178 0.232 1.00 0.00 H new ATOM 0 HH TYR A 105 8.471 11.981 -0.114 1.00 0.00 H new ATOM 1634 N GLY A 106 0.786 11.919 4.469 1.00 0.00 N ATOM 1635 CA GLY A 106 -0.028 13.051 4.984 1.00 0.00 C ATOM 1636 C GLY A 106 -0.767 12.622 6.251 1.00 0.00 C ATOM 1637 O GLY A 106 -1.180 11.476 6.310 1.00 0.00 O ATOM 1638 OXT GLY A 106 -0.911 13.446 7.139 1.00 0.00 O ATOM 0 H GLY A 106 0.519 10.997 4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 106 0.614 13.905 5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.743 13.372 4.226 1.00 0.00 H new TER 1642 GLY A 106