USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 835 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 107 SER OG : rot 180:sc= 0.00137 USER MOD Set 1.2: A 108 THR OG1 : rot 180:sc= 0.0612 USER MOD Set 2.1: A 29 SER OG : rot 134:sc= 0.656 USER MOD Set 2.2: A 66 TYR OH : rot -97:sc= 1.24 USER MOD Set 3.1: A 18 ASN : amide:sc= 0.741 K(o=1.3,f=-1) USER MOD Set 3.2: A 20 SER OG : rot -64:sc= 0.537 USER MOD Single : A 15 GLN : amide:sc= -0.136 K(o=-0.14,f=-3.3!) USER MOD Single : A 21 SER OG : rot -150:sc= -0.292 USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= -0.0283 (180deg=-0.39) USER MOD Single : A 34 MET CE :methyl -115:sc= -3.26! (180deg=-8.08!) USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 0.0254 (180deg=0.0209) USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00937) USER MOD Single : A 59 TYR OH : rot -5:sc= -5.06! USER MOD Single : A 60 SER OG : rot -33:sc= 0.556 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 0.988 (180deg=0.879) USER MOD Single : A 69 ASN : amide:sc= -1.19 K(o=-1.2,f=-4.7!) USER MOD Single : A 70 THR OG1 : rot -73:sc= 0.666 USER MOD Single : A 78 THR OG1 : rot 69:sc= 0.481 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0.0868 USER MOD Single : A 81 ASN :FLIP amide:sc= -3.38! C(o=-7.4!,f=-3.4!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -80:sc= 1.3 USER MOD Single : A 92 LYS NZ :NH3+ 176:sc= -1.83 (180deg=-2.01) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -160:sc= -0.399 USER MOD Single : A 106 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.183) USER MOD Single : A 110 THR OG1 : rot 71:sc= 0.21 USER MOD Single : A 112 SER OG : rot -35:sc= 0.728 USER MOD Single : A 115 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.189) USER MOD Single : A 116 TYR OH : rot 30:sc= -4.23! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -2.456 -3.463 -9.867 1.00 0.00 N ATOM 2 CA VAL A 14 -3.788 -2.859 -10.079 1.00 0.00 C ATOM 3 C VAL A 14 -3.751 -1.442 -10.690 1.00 0.00 C ATOM 4 O VAL A 14 -4.655 -1.075 -11.432 1.00 0.00 O ATOM 5 CB VAL A 14 -4.530 -2.872 -8.716 1.00 0.00 C ATOM 6 CG1 VAL A 14 -4.007 -1.841 -7.703 1.00 0.00 C ATOM 7 CG2 VAL A 14 -6.041 -2.789 -8.915 1.00 0.00 C ATOM 0 HA VAL A 14 -4.319 -3.454 -10.822 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.305 -3.835 -8.257 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.579 -1.917 -6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.955 -2.036 -7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.115 -0.838 -8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.537 -2.800 -7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.289 -1.866 -9.439 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.378 -3.642 -9.504 1.00 0.00 H new ATOM 17 N GLN A 15 -2.715 -0.685 -10.317 1.00 0.00 N ATOM 18 CA GLN A 15 -2.590 0.774 -10.524 1.00 0.00 C ATOM 19 C GLN A 15 -3.647 1.670 -9.854 1.00 0.00 C ATOM 20 O GLN A 15 -3.327 2.546 -9.060 1.00 0.00 O ATOM 21 CB GLN A 15 -2.340 1.141 -11.994 1.00 0.00 C ATOM 22 CG GLN A 15 -0.842 1.040 -12.325 1.00 0.00 C ATOM 23 CD GLN A 15 -0.053 2.210 -11.720 1.00 0.00 C ATOM 24 OE1 GLN A 15 -0.069 3.331 -12.218 1.00 0.00 O ATOM 25 NE2 GLN A 15 0.607 1.992 -10.600 1.00 0.00 N ATOM 0 H GLN A 15 -1.904 -1.081 -9.843 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.690 1.019 -9.959 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.908 0.475 -12.643 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -2.694 2.153 -12.188 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.447 0.098 -11.945 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.707 1.029 -13.407 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.619 1.059 -10.188 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.106 2.756 -10.145 1.00 0.00 H new ATOM 34 N ASP A 16 -4.905 1.294 -10.044 1.00 0.00 N ATOM 35 CA ASP A 16 -6.054 1.993 -9.453 1.00 0.00 C ATOM 36 C ASP A 16 -7.014 1.068 -8.689 1.00 0.00 C ATOM 37 O ASP A 16 -7.914 0.455 -9.252 1.00 0.00 O ATOM 38 CB ASP A 16 -6.846 2.772 -10.512 1.00 0.00 C ATOM 39 CG ASP A 16 -6.051 3.923 -11.135 1.00 0.00 C ATOM 40 OD1 ASP A 16 -5.370 3.669 -12.157 1.00 0.00 O ATOM 41 OD2 ASP A 16 -6.184 5.049 -10.618 1.00 0.00 O ATOM 0 H ASP A 16 -5.166 0.490 -10.616 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.619 2.685 -8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.158 2.086 -11.300 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.753 3.170 -10.058 1.00 0.00 H new ATOM 47 N VAL A 17 -6.787 1.006 -7.377 1.00 0.00 N ATOM 48 CA VAL A 17 -7.671 0.204 -6.504 1.00 0.00 C ATOM 49 C VAL A 17 -8.580 1.115 -5.665 1.00 0.00 C ATOM 50 O VAL A 17 -8.165 2.148 -5.132 1.00 0.00 O ATOM 51 CB VAL A 17 -6.908 -0.896 -5.735 1.00 0.00 C ATOM 52 CG1 VAL A 17 -6.037 -0.415 -4.581 1.00 0.00 C ATOM 53 CG2 VAL A 17 -7.839 -1.980 -5.200 1.00 0.00 C ATOM 0 H VAL A 17 -6.024 1.483 -6.897 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.355 -0.374 -7.125 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.240 -1.294 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.549 -1.270 -4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.281 0.273 -4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.658 0.096 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.255 -2.730 -4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.564 -1.534 -4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.364 -2.451 -6.031 1.00 0.00 H new ATOM 63 N ASN A 18 -9.854 0.829 -5.841 1.00 0.00 N ATOM 64 CA ASN A 18 -10.976 1.528 -5.188 1.00 0.00 C ATOM 65 C ASN A 18 -11.885 0.486 -4.501 1.00 0.00 C ATOM 66 O ASN A 18 -11.539 -0.694 -4.509 1.00 0.00 O ATOM 67 CB ASN A 18 -11.718 2.386 -6.231 1.00 0.00 C ATOM 68 CG ASN A 18 -12.269 1.556 -7.402 1.00 0.00 C ATOM 69 OD1 ASN A 18 -13.277 0.890 -7.278 1.00 0.00 O ATOM 70 ND2 ASN A 18 -11.583 1.588 -8.524 1.00 0.00 N ATOM 0 H ASN A 18 -10.162 0.080 -6.461 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.621 2.208 -4.413 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.541 2.910 -5.745 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.040 3.146 -6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.893 1.041 -9.327 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.741 2.159 -8.591 1.00 0.00 H new ATOM 77 N ASP A 19 -13.114 0.857 -4.201 1.00 0.00 N ATOM 78 CA ASP A 19 -14.061 -0.018 -3.465 1.00 0.00 C ATOM 79 C ASP A 19 -14.401 -1.358 -4.134 1.00 0.00 C ATOM 80 O ASP A 19 -14.281 -2.401 -3.498 1.00 0.00 O ATOM 81 CB ASP A 19 -15.353 0.749 -3.150 1.00 0.00 C ATOM 82 CG ASP A 19 -15.100 1.965 -2.251 1.00 0.00 C ATOM 83 OD1 ASP A 19 -15.190 1.820 -1.016 1.00 0.00 O ATOM 84 OD2 ASP A 19 -14.741 3.008 -2.841 1.00 0.00 O ATOM 0 H ASP A 19 -13.502 1.767 -4.451 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.528 -0.290 -2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.815 1.077 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.061 0.079 -2.662 1.00 0.00 H new ATOM 90 N SER A 20 -14.627 -1.333 -5.447 1.00 0.00 N ATOM 91 CA SER A 20 -14.983 -2.554 -6.213 1.00 0.00 C ATOM 92 C SER A 20 -13.779 -3.513 -6.327 1.00 0.00 C ATOM 93 O SER A 20 -13.863 -4.686 -5.948 1.00 0.00 O ATOM 94 CB SER A 20 -15.507 -2.179 -7.600 1.00 0.00 C ATOM 95 OG SER A 20 -14.483 -1.475 -8.319 1.00 0.00 O ATOM 0 H SER A 20 -14.573 -0.487 -6.014 1.00 0.00 H new ATOM 0 HA SER A 20 -15.773 -3.074 -5.671 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.800 -3.076 -8.146 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.397 -1.557 -7.509 1.00 0.00 H new ATOM 0 HG SER A 20 -14.289 -0.628 -7.866 1.00 0.00 H new ATOM 101 N SER A 21 -12.647 -2.964 -6.767 1.00 0.00 N ATOM 102 CA SER A 21 -11.385 -3.710 -6.875 1.00 0.00 C ATOM 103 C SER A 21 -10.755 -4.135 -5.552 1.00 0.00 C ATOM 104 O SER A 21 -10.070 -5.144 -5.512 1.00 0.00 O ATOM 105 CB SER A 21 -10.345 -3.078 -7.795 1.00 0.00 C ATOM 106 OG SER A 21 -10.217 -1.669 -7.574 1.00 0.00 O ATOM 0 H SER A 21 -12.575 -1.990 -7.060 1.00 0.00 H new ATOM 0 HA SER A 21 -11.722 -4.628 -7.357 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.380 -3.559 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.623 -3.258 -8.834 1.00 0.00 H new ATOM 0 HG SER A 21 -9.954 -1.229 -8.409 1.00 0.00 H new ATOM 112 N TRP A 22 -11.098 -3.440 -4.470 1.00 0.00 N ATOM 113 CA TRP A 22 -10.657 -3.792 -3.116 1.00 0.00 C ATOM 114 C TRP A 22 -11.009 -5.253 -2.755 1.00 0.00 C ATOM 115 O TRP A 22 -10.141 -6.055 -2.423 1.00 0.00 O ATOM 116 CB TRP A 22 -11.334 -2.815 -2.154 1.00 0.00 C ATOM 117 CG TRP A 22 -10.772 -2.934 -0.740 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.284 -3.687 0.222 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.603 -2.367 -0.275 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.484 -3.631 1.297 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.439 -2.857 1.029 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.600 -1.602 -0.904 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.246 -2.594 1.726 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.394 -1.384 -0.226 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.222 -1.860 1.094 1.00 0.00 C ATOM 0 H TRP A 22 -11.693 -2.612 -4.505 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.572 -3.718 -3.049 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.198 -1.796 -2.515 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.407 -3.006 -2.136 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.200 -4.255 0.152 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.652 -4.109 2.182 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.759 -1.192 -1.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.116 -2.951 2.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.592 -0.850 -0.714 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.301 -1.660 1.621 1.00 0.00 H new ATOM 136 N LYS A 23 -12.244 -5.628 -3.037 1.00 0.00 N ATOM 137 CA LYS A 23 -12.739 -6.983 -2.719 1.00 0.00 C ATOM 138 C LYS A 23 -12.101 -8.074 -3.582 1.00 0.00 C ATOM 139 O LYS A 23 -11.233 -8.805 -3.117 1.00 0.00 O ATOM 140 CB LYS A 23 -14.272 -6.964 -2.810 1.00 0.00 C ATOM 141 CG LYS A 23 -14.782 -5.934 -1.805 1.00 0.00 C ATOM 142 CD LYS A 23 -16.243 -5.566 -2.075 1.00 0.00 C ATOM 143 CE LYS A 23 -16.733 -4.554 -1.033 1.00 0.00 C ATOM 144 NZ LYS A 23 -16.790 -5.205 0.287 1.00 0.00 N ATOM 0 H LYS A 23 -12.933 -5.024 -3.485 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.441 -7.245 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.592 -6.705 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.681 -7.950 -2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.686 -6.331 -0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.164 -5.037 -1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.341 -5.145 -3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.863 -6.462 -2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.062 -3.695 -0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.718 -4.178 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.420 -4.664 0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.155 -6.173 0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.836 -5.238 0.699 1.00 0.00 H new ATOM 158 N GLU A 24 -12.288 -7.909 -4.892 1.00 0.00 N ATOM 159 CA GLU A 24 -11.786 -8.854 -5.915 1.00 0.00 C ATOM 160 C GLU A 24 -10.242 -8.939 -6.052 1.00 0.00 C ATOM 161 O GLU A 24 -9.771 -9.920 -6.623 1.00 0.00 O ATOM 162 CB GLU A 24 -12.443 -8.549 -7.273 1.00 0.00 C ATOM 163 CG GLU A 24 -12.152 -7.119 -7.704 1.00 0.00 C ATOM 164 CD GLU A 24 -12.713 -6.722 -9.073 1.00 0.00 C ATOM 165 OE1 GLU A 24 -13.956 -6.663 -9.195 1.00 0.00 O ATOM 166 OE2 GLU A 24 -11.880 -6.386 -9.941 1.00 0.00 O ATOM 0 H GLU A 24 -12.793 -7.115 -5.285 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.075 -9.844 -5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.071 -9.244 -8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.520 -8.701 -7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.557 -6.441 -6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.072 -6.973 -7.716 1.00 0.00 H new ATOM 174 N PHE A 25 -9.523 -7.866 -5.735 1.00 0.00 N ATOM 175 CA PHE A 25 -8.044 -7.857 -5.782 1.00 0.00 C ATOM 176 C PHE A 25 -7.272 -7.905 -4.461 1.00 0.00 C ATOM 177 O PHE A 25 -6.344 -8.682 -4.302 1.00 0.00 O ATOM 178 CB PHE A 25 -7.534 -6.663 -6.599 1.00 0.00 C ATOM 179 CG PHE A 25 -7.634 -6.892 -8.110 1.00 0.00 C ATOM 180 CD1 PHE A 25 -6.598 -7.612 -8.747 1.00 0.00 C ATOM 181 CD2 PHE A 25 -8.640 -6.242 -8.855 1.00 0.00 C ATOM 182 CE1 PHE A 25 -6.563 -7.674 -10.157 1.00 0.00 C ATOM 183 CE2 PHE A 25 -8.605 -6.304 -10.265 1.00 0.00 C ATOM 184 CZ PHE A 25 -7.559 -7.022 -10.903 1.00 0.00 C ATOM 0 H PHE A 25 -9.934 -6.980 -5.440 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.833 -8.818 -6.252 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.107 -5.775 -6.332 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.496 -6.464 -6.334 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.840 -8.110 -8.161 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.429 -5.702 -8.352 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.777 -8.219 -10.658 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -9.366 -5.811 -10.852 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.529 -7.068 -11.982 1.00 0.00 H new ATOM 194 N VAL A 26 -7.716 -7.097 -3.514 1.00 0.00 N ATOM 195 CA VAL A 26 -7.009 -6.947 -2.213 1.00 0.00 C ATOM 196 C VAL A 26 -7.445 -8.078 -1.286 1.00 0.00 C ATOM 197 O VAL A 26 -6.609 -8.832 -0.799 1.00 0.00 O ATOM 198 CB VAL A 26 -7.225 -5.560 -1.568 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.555 -5.434 -0.186 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.682 -4.457 -2.468 1.00 0.00 C ATOM 0 H VAL A 26 -8.558 -6.528 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.936 -7.014 -2.393 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.302 -5.453 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.740 -4.439 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.969 -6.183 0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.481 -5.591 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.844 -3.489 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.614 -4.609 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.198 -4.483 -3.428 1.00 0.00 H new ATOM 210 N LEU A 27 -8.761 -8.244 -1.152 1.00 0.00 N ATOM 211 CA LEU A 27 -9.275 -9.305 -0.262 1.00 0.00 C ATOM 212 C LEU A 27 -9.191 -10.706 -0.889 1.00 0.00 C ATOM 213 O LEU A 27 -9.018 -11.692 -0.176 1.00 0.00 O ATOM 214 CB LEU A 27 -10.682 -8.975 0.256 1.00 0.00 C ATOM 215 CG LEU A 27 -10.813 -7.563 0.871 1.00 0.00 C ATOM 216 CD1 LEU A 27 -12.172 -7.463 1.567 1.00 0.00 C ATOM 217 CD2 LEU A 27 -9.720 -7.191 1.879 1.00 0.00 C ATOM 0 H LEU A 27 -9.473 -7.686 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.614 -9.333 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.391 -9.069 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.964 -9.714 1.006 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.708 -6.862 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.283 -6.472 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.967 -7.627 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.236 -8.218 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.899 -6.183 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.737 -7.896 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.746 -7.229 1.390 1.00 0.00 H new ATOM 229 N GLU A 28 -9.191 -10.736 -2.228 1.00 0.00 N ATOM 230 CA GLU A 28 -9.116 -11.986 -3.004 1.00 0.00 C ATOM 231 C GLU A 28 -7.944 -11.987 -4.000 1.00 0.00 C ATOM 232 O GLU A 28 -8.026 -11.464 -5.105 1.00 0.00 O ATOM 233 CB GLU A 28 -10.466 -12.193 -3.715 1.00 0.00 C ATOM 234 CG GLU A 28 -11.574 -12.452 -2.697 1.00 0.00 C ATOM 235 CD GLU A 28 -12.930 -12.001 -3.252 1.00 0.00 C ATOM 236 OE1 GLU A 28 -13.314 -10.848 -2.951 1.00 0.00 O ATOM 237 OE2 GLU A 28 -13.553 -12.827 -3.942 1.00 0.00 O ATOM 0 H GLU A 28 -9.243 -9.897 -2.806 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.923 -12.817 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.709 -11.312 -4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.395 -13.034 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.610 -13.513 -2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.358 -11.918 -1.772 1.00 0.00 H new ATOM 245 N SER A 29 -6.806 -12.421 -3.464 1.00 0.00 N ATOM 246 CA SER A 29 -5.548 -12.588 -4.224 1.00 0.00 C ATOM 247 C SER A 29 -4.855 -13.897 -3.781 1.00 0.00 C ATOM 248 O SER A 29 -5.485 -14.797 -3.233 1.00 0.00 O ATOM 249 CB SER A 29 -4.701 -11.321 -4.011 1.00 0.00 C ATOM 250 OG SER A 29 -3.458 -11.361 -4.719 1.00 0.00 O ATOM 0 H SER A 29 -6.720 -12.672 -2.479 1.00 0.00 H new ATOM 0 HA SER A 29 -5.717 -12.690 -5.296 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.271 -10.450 -4.334 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.504 -11.196 -2.946 1.00 0.00 H new ATOM 0 HG SER A 29 -3.317 -10.508 -5.180 1.00 0.00 H new ATOM 256 N GLU A 30 -3.529 -13.918 -3.883 1.00 0.00 N ATOM 257 CA GLU A 30 -2.605 -15.004 -3.482 1.00 0.00 C ATOM 258 C GLU A 30 -2.476 -15.190 -1.954 1.00 0.00 C ATOM 259 O GLU A 30 -1.659 -15.990 -1.488 1.00 0.00 O ATOM 260 CB GLU A 30 -1.229 -14.856 -4.149 1.00 0.00 C ATOM 261 CG GLU A 30 -0.675 -13.428 -4.271 1.00 0.00 C ATOM 262 CD GLU A 30 -0.215 -12.800 -2.953 1.00 0.00 C ATOM 263 OE1 GLU A 30 1.012 -12.755 -2.755 1.00 0.00 O ATOM 264 OE2 GLU A 30 -1.112 -12.266 -2.262 1.00 0.00 O ATOM 0 H GLU A 30 -3.023 -13.124 -4.275 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.065 -15.921 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.511 -15.453 -3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.287 -15.286 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.166 -13.438 -4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.443 -12.792 -4.711 1.00 0.00 H new ATOM 272 N VAL A 31 -3.191 -14.304 -1.268 1.00 0.00 N ATOM 273 CA VAL A 31 -3.443 -14.210 0.184 1.00 0.00 C ATOM 274 C VAL A 31 -2.622 -13.131 0.939 1.00 0.00 C ATOM 275 O VAL A 31 -3.264 -12.143 1.291 1.00 0.00 O ATOM 276 CB VAL A 31 -3.699 -15.581 0.863 1.00 0.00 C ATOM 277 CG1 VAL A 31 -3.940 -15.475 2.367 1.00 0.00 C ATOM 278 CG2 VAL A 31 -4.942 -16.227 0.239 1.00 0.00 C ATOM 0 H VAL A 31 -3.664 -13.547 -1.761 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.424 -13.747 0.292 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.800 -16.177 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.112 -16.469 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.067 -15.030 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.813 -14.849 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.127 -17.191 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.804 -15.577 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.779 -16.372 -0.829 1.00 0.00 H new ATOM 288 N PRO A 32 -1.295 -13.199 1.134 1.00 0.00 N ATOM 289 CA PRO A 32 -0.560 -12.107 1.804 1.00 0.00 C ATOM 290 C PRO A 32 -0.543 -10.887 0.875 1.00 0.00 C ATOM 291 O PRO A 32 -0.027 -10.914 -0.239 1.00 0.00 O ATOM 292 CB PRO A 32 0.843 -12.649 2.090 1.00 0.00 C ATOM 293 CG PRO A 32 0.690 -14.154 1.948 1.00 0.00 C ATOM 294 CD PRO A 32 -0.365 -14.309 0.849 1.00 0.00 C ATOM 0 HA PRO A 32 -1.021 -11.788 2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.575 -12.254 1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.181 -12.374 3.089 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.631 -14.628 1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.366 -14.614 2.882 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.072 -14.226 -0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.863 -15.277 0.899 1.00 0.00 H new ATOM 302 N VAL A 33 -1.293 -9.872 1.294 1.00 0.00 N ATOM 303 CA VAL A 33 -1.514 -8.658 0.498 1.00 0.00 C ATOM 304 C VAL A 33 -1.004 -7.410 1.215 1.00 0.00 C ATOM 305 O VAL A 33 -1.163 -7.248 2.425 1.00 0.00 O ATOM 306 CB VAL A 33 -3.018 -8.608 0.145 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.500 -7.260 -0.383 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.391 -9.712 -0.857 1.00 0.00 C ATOM 0 H VAL A 33 -1.768 -9.863 2.197 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.937 -8.685 -0.427 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.529 -8.772 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.566 -7.316 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.326 -6.491 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.953 -7.009 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.455 -9.651 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.815 -9.582 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.168 -10.687 -0.424 1.00 0.00 H new ATOM 318 N MET A 34 -0.486 -6.502 0.395 1.00 0.00 N ATOM 319 CA MET A 34 -0.015 -5.182 0.820 1.00 0.00 C ATOM 320 C MET A 34 -0.753 -4.099 0.028 1.00 0.00 C ATOM 321 O MET A 34 -1.006 -4.219 -1.164 1.00 0.00 O ATOM 322 CB MET A 34 1.485 -5.068 0.571 1.00 0.00 C ATOM 323 CG MET A 34 2.062 -3.716 1.000 1.00 0.00 C ATOM 324 SD MET A 34 3.875 -3.596 0.848 1.00 0.00 S ATOM 325 CE MET A 34 4.332 -4.788 2.086 1.00 0.00 C ATOM 0 H MET A 34 -0.378 -6.664 -0.606 1.00 0.00 H new ATOM 0 HA MET A 34 -0.212 -5.051 1.884 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.999 -5.864 1.111 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.684 -5.222 -0.490 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.605 -2.931 0.397 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.782 -3.526 2.036 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.855 -4.285 2.900 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.435 -5.271 2.474 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.987 -5.539 1.644 1.00 0.00 H new ATOM 335 N VAL A 35 -1.061 -3.029 0.738 1.00 0.00 N ATOM 336 CA VAL A 35 -1.671 -1.834 0.125 1.00 0.00 C ATOM 337 C VAL A 35 -0.989 -0.541 0.576 1.00 0.00 C ATOM 338 O VAL A 35 -0.715 -0.357 1.756 1.00 0.00 O ATOM 339 CB VAL A 35 -3.185 -1.866 0.394 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.529 -1.771 1.882 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.905 -0.771 -0.391 1.00 0.00 C ATOM 0 H VAL A 35 -0.903 -2.950 1.743 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.519 -1.851 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.536 -2.839 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.611 -1.799 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.080 -2.610 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.141 -0.836 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.974 -0.817 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.518 0.204 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.737 -0.918 -1.458 1.00 0.00 H new ATOM 351 N ASP A 36 -0.794 0.343 -0.402 1.00 0.00 N ATOM 352 CA ASP A 36 -0.274 1.710 -0.188 1.00 0.00 C ATOM 353 C ASP A 36 -1.424 2.678 -0.483 1.00 0.00 C ATOM 354 O ASP A 36 -2.010 2.674 -1.567 1.00 0.00 O ATOM 355 CB ASP A 36 0.908 2.063 -1.102 1.00 0.00 C ATOM 356 CG ASP A 36 0.557 2.227 -2.592 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.438 3.396 -3.012 1.00 0.00 O ATOM 358 OD2 ASP A 36 0.370 1.176 -3.232 1.00 0.00 O ATOM 0 H ASP A 36 -0.993 0.136 -1.381 1.00 0.00 H new ATOM 0 HA ASP A 36 0.091 1.779 0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.357 2.990 -0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.665 1.285 -1.007 1.00 0.00 H new ATOM 364 N PHE A 37 -1.912 3.264 0.592 1.00 0.00 N ATOM 365 CA PHE A 37 -2.910 4.333 0.462 1.00 0.00 C ATOM 366 C PHE A 37 -2.255 5.626 -0.049 1.00 0.00 C ATOM 367 O PHE A 37 -1.523 6.288 0.690 1.00 0.00 O ATOM 368 CB PHE A 37 -3.577 4.542 1.816 1.00 0.00 C ATOM 369 CG PHE A 37 -4.649 3.508 2.143 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.364 2.118 2.115 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.953 3.976 2.425 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.397 1.197 2.342 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.983 3.048 2.657 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.705 1.666 2.589 1.00 0.00 C ATOM 0 H PHE A 37 -1.648 3.033 1.550 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.667 4.049 -0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.814 4.518 2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.025 5.535 1.840 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.360 1.772 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.156 5.036 2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.193 0.137 2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.981 3.391 2.886 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.506 0.956 2.728 1.00 0.00 H new ATOM 384 N TRP A 38 -2.516 5.975 -1.302 1.00 0.00 N ATOM 385 CA TRP A 38 -1.890 7.172 -1.887 1.00 0.00 C ATOM 386 C TRP A 38 -2.889 8.330 -1.837 1.00 0.00 C ATOM 387 O TRP A 38 -4.083 8.184 -2.136 1.00 0.00 O ATOM 388 CB TRP A 38 -1.328 6.915 -3.293 1.00 0.00 C ATOM 389 CG TRP A 38 -2.378 6.902 -4.406 1.00 0.00 C ATOM 390 CD1 TRP A 38 -3.084 5.839 -4.774 1.00 0.00 C ATOM 391 CD2 TRP A 38 -2.818 7.992 -5.149 1.00 0.00 C ATOM 392 NE1 TRP A 38 -3.927 6.179 -5.751 1.00 0.00 N ATOM 393 CE2 TRP A 38 -3.841 7.487 -5.976 1.00 0.00 C ATOM 394 CE3 TRP A 38 -2.580 9.379 -5.068 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -4.648 8.372 -6.726 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -3.382 10.248 -5.807 1.00 0.00 C ATOM 397 CH2 TRP A 38 -4.411 9.764 -6.636 1.00 0.00 C ATOM 0 H TRP A 38 -3.141 5.466 -1.927 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.018 7.446 -1.293 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.587 7.682 -3.520 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.807 5.958 -3.292 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.990 4.851 -4.348 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.542 5.535 -6.248 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.788 9.763 -4.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.435 7.991 -7.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.210 11.312 -5.742 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.019 10.454 -7.203 1.00 0.00 H new ATOM 408 N ALA A 39 -2.329 9.516 -1.697 1.00 0.00 N ATOM 409 CA ALA A 39 -3.111 10.728 -1.400 1.00 0.00 C ATOM 410 C ALA A 39 -2.930 11.735 -2.547 1.00 0.00 C ATOM 411 O ALA A 39 -1.833 11.806 -3.091 1.00 0.00 O ATOM 412 CB ALA A 39 -2.598 11.293 -0.074 1.00 0.00 C ATOM 0 H ALA A 39 -1.326 9.679 -1.783 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.175 10.510 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.157 12.194 0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.732 10.551 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.540 11.536 -0.167 1.00 0.00 H new ATOM 418 N PRO A 40 -3.966 12.494 -2.905 1.00 0.00 N ATOM 419 CA PRO A 40 -3.868 13.478 -4.000 1.00 0.00 C ATOM 420 C PRO A 40 -2.710 14.485 -3.834 1.00 0.00 C ATOM 421 O PRO A 40 -1.934 14.690 -4.758 1.00 0.00 O ATOM 422 CB PRO A 40 -5.230 14.140 -4.121 1.00 0.00 C ATOM 423 CG PRO A 40 -6.104 13.580 -2.993 1.00 0.00 C ATOM 424 CD PRO A 40 -5.335 12.419 -2.362 1.00 0.00 C ATOM 0 HA PRO A 40 -3.611 12.970 -4.929 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.141 15.223 -4.038 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.675 13.931 -5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.316 14.350 -2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.064 13.240 -3.382 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.328 12.501 -1.275 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.800 11.464 -2.607 1.00 0.00 H new ATOM 432 N TRP A 41 -2.484 14.903 -2.588 1.00 0.00 N ATOM 433 CA TRP A 41 -1.371 15.790 -2.192 1.00 0.00 C ATOM 434 C TRP A 41 0.050 15.198 -2.212 1.00 0.00 C ATOM 435 O TRP A 41 1.034 15.925 -2.166 1.00 0.00 O ATOM 436 CB TRP A 41 -1.708 16.448 -0.841 1.00 0.00 C ATOM 437 CG TRP A 41 -2.378 15.509 0.159 1.00 0.00 C ATOM 438 CD1 TRP A 41 -3.656 15.591 0.523 1.00 0.00 C ATOM 439 CD2 TRP A 41 -1.749 14.668 1.064 1.00 0.00 C ATOM 440 NE1 TRP A 41 -3.863 14.883 1.628 1.00 0.00 N ATOM 441 CE2 TRP A 41 -2.728 14.314 2.011 1.00 0.00 C ATOM 442 CE3 TRP A 41 -0.458 14.110 1.116 1.00 0.00 C ATOM 443 CZ2 TRP A 41 -2.416 13.418 3.057 1.00 0.00 C ATOM 444 CZ3 TRP A 41 -0.151 13.193 2.151 1.00 0.00 C ATOM 445 CH2 TRP A 41 -1.126 12.865 3.118 1.00 0.00 C ATOM 0 H TRP A 41 -3.078 14.633 -1.804 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.305 16.533 -2.987 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.790 16.837 -0.399 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -2.363 17.301 -1.018 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -4.414 16.152 -0.003 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -4.758 14.791 2.108 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.286 14.376 0.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.158 13.162 3.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.830 12.744 2.200 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.877 12.180 3.915 1.00 0.00 H new ATOM 456 N CYS A 42 0.137 13.872 -2.333 1.00 0.00 N ATOM 457 CA CYS A 42 1.403 13.118 -2.436 1.00 0.00 C ATOM 458 C CYS A 42 2.097 13.279 -3.810 1.00 0.00 C ATOM 459 O CYS A 42 3.300 13.074 -3.932 1.00 0.00 O ATOM 460 CB CYS A 42 1.055 11.664 -2.126 1.00 0.00 C ATOM 461 SG CYS A 42 2.427 10.488 -1.860 1.00 0.00 S ATOM 0 H CYS A 42 -0.687 13.271 -2.364 1.00 0.00 H new ATOM 0 HA CYS A 42 2.135 13.507 -1.728 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.430 11.654 -1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.445 11.285 -2.946 1.00 0.00 H new ATOM 466 N GLY A 43 1.318 13.670 -4.823 1.00 0.00 N ATOM 467 CA GLY A 43 1.771 13.783 -6.226 1.00 0.00 C ATOM 468 C GLY A 43 1.530 12.468 -6.995 1.00 0.00 C ATOM 469 O GLY A 43 0.539 11.792 -6.722 1.00 0.00 O ATOM 0 H GLY A 43 0.338 13.923 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.240 14.598 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.832 14.033 -6.250 1.00 0.00 H new ATOM 473 N PRO A 44 2.460 12.043 -7.866 1.00 0.00 N ATOM 474 CA PRO A 44 2.312 10.816 -8.689 1.00 0.00 C ATOM 475 C PRO A 44 2.505 9.486 -7.920 1.00 0.00 C ATOM 476 O PRO A 44 2.747 8.450 -8.539 1.00 0.00 O ATOM 477 CB PRO A 44 3.348 10.978 -9.796 1.00 0.00 C ATOM 478 CG PRO A 44 4.467 11.763 -9.115 1.00 0.00 C ATOM 479 CD PRO A 44 3.720 12.745 -8.221 1.00 0.00 C ATOM 0 HA PRO A 44 1.289 10.733 -9.057 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.699 10.014 -10.163 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.942 11.517 -10.652 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.120 11.110 -8.536 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.095 12.279 -9.841 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.300 12.992 -7.332 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.519 13.681 -8.741 1.00 0.00 H new ATOM 487 N CYS A 45 2.082 9.466 -6.662 1.00 0.00 N ATOM 488 CA CYS A 45 2.283 8.315 -5.754 1.00 0.00 C ATOM 489 C CYS A 45 1.653 6.972 -6.158 1.00 0.00 C ATOM 490 O CYS A 45 2.261 5.922 -5.961 1.00 0.00 O ATOM 491 CB CYS A 45 1.916 8.729 -4.318 1.00 0.00 C ATOM 492 SG CYS A 45 3.057 10.041 -3.741 1.00 0.00 S ATOM 0 H CYS A 45 1.586 10.245 -6.229 1.00 0.00 H new ATOM 0 HA CYS A 45 3.345 8.080 -5.831 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.887 9.088 -4.285 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.974 7.866 -3.655 1.00 0.00 H new ATOM 497 N LYS A 46 0.621 7.087 -6.983 1.00 0.00 N ATOM 498 CA LYS A 46 -0.097 5.952 -7.614 1.00 0.00 C ATOM 499 C LYS A 46 0.798 5.257 -8.654 1.00 0.00 C ATOM 500 O LYS A 46 1.193 4.102 -8.496 1.00 0.00 O ATOM 501 CB LYS A 46 -1.331 6.593 -8.236 1.00 0.00 C ATOM 502 CG LYS A 46 -2.343 5.542 -8.676 1.00 0.00 C ATOM 503 CD LYS A 46 -2.547 5.572 -10.189 1.00 0.00 C ATOM 504 CE LYS A 46 -3.271 6.831 -10.674 1.00 0.00 C ATOM 505 NZ LYS A 46 -3.645 6.542 -12.059 1.00 0.00 N ATOM 0 H LYS A 46 0.237 7.994 -7.249 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.370 5.167 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.795 7.267 -7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.036 7.197 -9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.000 4.553 -8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.295 5.717 -8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.577 5.506 -10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.118 4.694 -10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.149 7.041 -10.064 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.624 7.706 -10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.233 7.316 -12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.786 6.453 -12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.181 5.652 -12.095 1.00 0.00 H new ATOM 519 N LEU A 47 1.239 6.061 -9.630 1.00 0.00 N ATOM 520 CA LEU A 47 2.141 5.684 -10.743 1.00 0.00 C ATOM 521 C LEU A 47 3.438 4.980 -10.335 1.00 0.00 C ATOM 522 O LEU A 47 4.023 4.241 -11.122 1.00 0.00 O ATOM 523 CB LEU A 47 2.536 6.962 -11.494 1.00 0.00 C ATOM 524 CG LEU A 47 1.840 7.155 -12.848 1.00 0.00 C ATOM 525 CD1 LEU A 47 2.189 6.013 -13.814 1.00 0.00 C ATOM 526 CD2 LEU A 47 0.325 7.321 -12.698 1.00 0.00 C ATOM 0 H LEU A 47 0.967 7.043 -9.673 1.00 0.00 H new ATOM 0 HA LEU A 47 1.577 4.970 -11.344 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.314 7.821 -10.862 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.614 6.954 -11.654 1.00 0.00 H new ATOM 0 HG LEU A 47 2.217 8.084 -13.277 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.683 6.174 -14.766 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.267 5.990 -13.975 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.865 5.064 -13.387 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.126 7.455 -13.681 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.093 6.433 -12.225 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.114 8.194 -12.081 1.00 0.00 H new ATOM 538 N ILE A 48 3.938 5.373 -9.176 1.00 0.00 N ATOM 539 CA ILE A 48 5.216 4.862 -8.650 1.00 0.00 C ATOM 540 C ILE A 48 5.162 3.854 -7.502 1.00 0.00 C ATOM 541 O ILE A 48 5.847 2.838 -7.610 1.00 0.00 O ATOM 542 CB ILE A 48 6.217 6.001 -8.357 1.00 0.00 C ATOM 543 CG1 ILE A 48 5.547 7.183 -7.645 1.00 0.00 C ATOM 544 CG2 ILE A 48 6.920 6.389 -9.655 1.00 0.00 C ATOM 545 CD1 ILE A 48 6.504 8.079 -6.849 1.00 0.00 C ATOM 0 H ILE A 48 3.481 6.052 -8.567 1.00 0.00 H new ATOM 0 HA ILE A 48 5.578 4.257 -9.481 1.00 0.00 H new ATOM 0 HB ILE A 48 6.976 5.652 -7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.034 7.793 -8.388 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.785 6.797 -6.968 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.629 7.193 -9.458 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.452 5.525 -10.053 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.181 6.727 -10.382 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.941 8.887 -6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.000 7.488 -6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.252 8.500 -7.521 1.00 0.00 H new ATOM 557 N ALA A 49 4.429 4.158 -6.410 1.00 0.00 N ATOM 558 CA ALA A 49 4.399 3.336 -5.161 1.00 0.00 C ATOM 559 C ALA A 49 5.755 2.675 -4.877 1.00 0.00 C ATOM 560 O ALA A 49 5.793 1.539 -4.416 1.00 0.00 O ATOM 561 CB ALA A 49 3.199 2.397 -5.312 1.00 0.00 C ATOM 0 H ALA A 49 3.834 4.985 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 49 4.255 3.931 -4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.119 1.764 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.288 2.985 -5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.335 1.772 -6.195 1.00 0.00 H new ATOM 567 N PRO A 50 6.832 3.483 -4.799 1.00 0.00 N ATOM 568 CA PRO A 50 8.214 2.982 -4.925 1.00 0.00 C ATOM 569 C PRO A 50 8.569 1.870 -3.932 1.00 0.00 C ATOM 570 O PRO A 50 8.730 0.719 -4.350 1.00 0.00 O ATOM 571 CB PRO A 50 9.125 4.187 -4.692 1.00 0.00 C ATOM 572 CG PRO A 50 8.195 5.403 -4.611 1.00 0.00 C ATOM 573 CD PRO A 50 6.830 4.839 -4.232 1.00 0.00 C ATOM 0 HA PRO A 50 8.335 2.534 -5.911 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.699 4.072 -3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.843 4.297 -5.504 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.546 6.118 -3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.152 5.930 -5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.693 4.819 -3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.021 5.442 -4.644 1.00 0.00 H new ATOM 581 N VAL A 51 8.632 2.214 -2.646 1.00 0.00 N ATOM 582 CA VAL A 51 8.917 1.252 -1.550 1.00 0.00 C ATOM 583 C VAL A 51 8.047 -0.008 -1.641 1.00 0.00 C ATOM 584 O VAL A 51 8.571 -1.095 -1.804 1.00 0.00 O ATOM 585 CB VAL A 51 8.771 1.978 -0.186 1.00 0.00 C ATOM 586 CG1 VAL A 51 9.037 1.029 0.981 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.739 3.169 -0.068 1.00 0.00 C ATOM 0 H VAL A 51 8.488 3.170 -2.320 1.00 0.00 H new ATOM 0 HA VAL A 51 9.943 0.899 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 51 7.744 2.339 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.927 1.569 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.324 0.205 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.050 0.635 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.606 3.651 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.766 2.814 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.532 3.886 -0.862 1.00 0.00 H new ATOM 597 N ILE A 52 6.749 0.208 -1.816 1.00 0.00 N ATOM 598 CA ILE A 52 5.721 -0.839 -1.968 1.00 0.00 C ATOM 599 C ILE A 52 5.961 -1.717 -3.197 1.00 0.00 C ATOM 600 O ILE A 52 6.092 -2.943 -3.069 1.00 0.00 O ATOM 601 CB ILE A 52 4.363 -0.079 -1.937 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.854 0.183 -0.517 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.230 -0.673 -2.780 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.775 1.049 0.352 1.00 0.00 C ATOM 0 H ILE A 52 6.359 1.149 -1.859 1.00 0.00 H new ATOM 0 HA ILE A 52 5.743 -1.575 -1.165 1.00 0.00 H new ATOM 0 HB ILE A 52 4.630 0.864 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.879 0.666 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.704 -0.775 -0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.337 -0.056 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.532 -0.702 -3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.013 -1.685 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.329 1.178 1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.744 0.561 0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.907 2.024 -0.117 1.00 0.00 H new ATOM 616 N ASP A 53 6.204 -1.066 -4.335 1.00 0.00 N ATOM 617 CA ASP A 53 6.507 -1.789 -5.592 1.00 0.00 C ATOM 618 C ASP A 53 7.796 -2.604 -5.550 1.00 0.00 C ATOM 619 O ASP A 53 7.886 -3.704 -6.099 1.00 0.00 O ATOM 620 CB ASP A 53 6.434 -0.867 -6.818 1.00 0.00 C ATOM 621 CG ASP A 53 4.996 -0.736 -7.318 1.00 0.00 C ATOM 622 OD1 ASP A 53 4.506 0.416 -7.367 1.00 0.00 O ATOM 623 OD2 ASP A 53 4.399 -1.792 -7.622 1.00 0.00 O ATOM 0 H ASP A 53 6.200 -0.050 -4.423 1.00 0.00 H new ATOM 0 HA ASP A 53 5.714 -2.530 -5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.825 0.118 -6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.065 -1.263 -7.614 1.00 0.00 H new ATOM 629 N GLU A 54 8.732 -2.102 -4.753 1.00 0.00 N ATOM 630 CA GLU A 54 9.984 -2.789 -4.430 1.00 0.00 C ATOM 631 C GLU A 54 9.823 -3.933 -3.432 1.00 0.00 C ATOM 632 O GLU A 54 10.337 -5.021 -3.689 1.00 0.00 O ATOM 633 CB GLU A 54 11.000 -1.805 -3.843 1.00 0.00 C ATOM 634 CG GLU A 54 11.549 -0.835 -4.897 1.00 0.00 C ATOM 635 CD GLU A 54 12.337 0.294 -4.220 1.00 0.00 C ATOM 636 OE1 GLU A 54 13.573 0.130 -4.083 1.00 0.00 O ATOM 637 OE2 GLU A 54 11.692 1.297 -3.843 1.00 0.00 O ATOM 0 H GLU A 54 8.644 -1.191 -4.304 1.00 0.00 H new ATOM 0 HA GLU A 54 10.328 -3.209 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.530 -1.237 -3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.826 -2.361 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.193 -1.371 -5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.728 -0.417 -5.479 1.00 0.00 H new ATOM 645 N LEU A 55 9.018 -3.746 -2.383 1.00 0.00 N ATOM 646 CA LEU A 55 8.756 -4.811 -1.396 1.00 0.00 C ATOM 647 C LEU A 55 8.156 -6.081 -2.016 1.00 0.00 C ATOM 648 O LEU A 55 8.576 -7.197 -1.693 1.00 0.00 O ATOM 649 CB LEU A 55 7.839 -4.341 -0.247 1.00 0.00 C ATOM 650 CG LEU A 55 8.376 -3.147 0.565 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.391 -2.805 1.690 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.765 -3.362 1.157 1.00 0.00 C ATOM 0 H LEU A 55 8.534 -2.869 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 55 9.740 -5.054 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.868 -4.071 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.673 -5.178 0.431 1.00 0.00 H new ATOM 0 HG LEU A 55 8.471 -2.323 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.773 -1.960 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.424 -2.545 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.276 -3.667 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.065 -2.473 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.745 -4.220 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.478 -3.546 0.354 1.00 0.00 H new ATOM 664 N ALA A 56 7.474 -5.860 -3.140 1.00 0.00 N ATOM 665 CA ALA A 56 6.822 -6.895 -3.964 1.00 0.00 C ATOM 666 C ALA A 56 7.804 -7.926 -4.548 1.00 0.00 C ATOM 667 O ALA A 56 7.498 -9.112 -4.664 1.00 0.00 O ATOM 668 CB ALA A 56 6.113 -6.169 -5.100 1.00 0.00 C ATOM 0 H ALA A 56 7.352 -4.922 -3.522 1.00 0.00 H new ATOM 0 HA ALA A 56 6.137 -7.461 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.613 -6.896 -5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.375 -5.481 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.843 -5.610 -5.686 1.00 0.00 H new ATOM 674 N LYS A 57 8.917 -7.403 -5.057 1.00 0.00 N ATOM 675 CA LYS A 57 10.036 -8.220 -5.581 1.00 0.00 C ATOM 676 C LYS A 57 11.117 -8.558 -4.547 1.00 0.00 C ATOM 677 O LYS A 57 11.798 -9.578 -4.700 1.00 0.00 O ATOM 678 CB LYS A 57 10.650 -7.575 -6.831 1.00 0.00 C ATOM 679 CG LYS A 57 10.870 -6.073 -6.657 1.00 0.00 C ATOM 680 CD LYS A 57 11.479 -5.515 -7.925 1.00 0.00 C ATOM 681 CE LYS A 57 11.394 -3.999 -7.918 1.00 0.00 C ATOM 682 NZ LYS A 57 12.445 -3.600 -8.838 1.00 0.00 N ATOM 0 H LYS A 57 9.080 -6.398 -5.123 1.00 0.00 H new ATOM 0 HA LYS A 57 9.591 -9.177 -5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.602 -8.056 -7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.996 -7.748 -7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.924 -5.576 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.528 -5.884 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.520 -5.829 -8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.956 -5.913 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.416 -3.650 -8.249 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.557 -3.592 -6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.449 -2.564 -8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.365 -3.918 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.274 -4.031 -9.769 1.00 0.00 H new ATOM 696 N GLU A 58 11.174 -7.764 -3.472 1.00 0.00 N ATOM 697 CA GLU A 58 12.073 -7.964 -2.329 1.00 0.00 C ATOM 698 C GLU A 58 11.857 -9.333 -1.670 1.00 0.00 C ATOM 699 O GLU A 58 12.805 -10.078 -1.412 1.00 0.00 O ATOM 700 CB GLU A 58 11.810 -6.847 -1.316 1.00 0.00 C ATOM 701 CG GLU A 58 13.094 -6.150 -0.870 1.00 0.00 C ATOM 702 CD GLU A 58 12.756 -4.941 -0.002 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.599 -5.141 1.226 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.596 -3.855 -0.586 1.00 0.00 O ATOM 0 H GLU A 58 10.580 -6.941 -3.370 1.00 0.00 H new ATOM 0 HA GLU A 58 13.105 -7.935 -2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.135 -6.113 -1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.304 -7.262 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.720 -6.846 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.668 -5.834 -1.741 1.00 0.00 H new ATOM 712 N TYR A 59 10.597 -9.636 -1.413 1.00 0.00 N ATOM 713 CA TYR A 59 10.171 -10.980 -1.001 1.00 0.00 C ATOM 714 C TYR A 59 9.212 -11.439 -2.107 1.00 0.00 C ATOM 715 O TYR A 59 8.029 -11.100 -2.099 1.00 0.00 O ATOM 716 CB TYR A 59 9.573 -11.069 0.410 1.00 0.00 C ATOM 717 CG TYR A 59 9.423 -9.755 1.175 1.00 0.00 C ATOM 718 CD1 TYR A 59 8.272 -8.989 0.954 1.00 0.00 C ATOM 719 CD2 TYR A 59 10.538 -9.271 1.895 1.00 0.00 C ATOM 720 CE1 TYR A 59 8.233 -7.675 1.438 1.00 0.00 C ATOM 721 CE2 TYR A 59 10.499 -7.952 2.388 1.00 0.00 C ATOM 722 CZ TYR A 59 9.341 -7.175 2.148 1.00 0.00 C ATOM 723 OH TYR A 59 9.281 -5.918 2.653 1.00 0.00 O ATOM 0 H TYR A 59 9.833 -8.964 -1.481 1.00 0.00 H new ATOM 0 HA TYR A 59 11.031 -11.642 -0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.590 -11.533 0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.197 -11.739 1.002 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.430 -9.404 0.420 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.401 -9.898 2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.365 -7.054 1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.334 -7.543 2.937 1.00 0.00 H new ATOM 0 HH TYR A 59 8.448 -5.490 2.366 1.00 0.00 H new ATOM 733 N SER A 60 9.891 -11.742 -3.204 1.00 0.00 N ATOM 734 CA SER A 60 9.340 -12.149 -4.512 1.00 0.00 C ATOM 735 C SER A 60 8.002 -12.889 -4.445 1.00 0.00 C ATOM 736 O SER A 60 7.912 -14.001 -3.928 1.00 0.00 O ATOM 737 CB SER A 60 10.331 -13.031 -5.278 1.00 0.00 C ATOM 738 OG SER A 60 11.670 -12.528 -5.132 1.00 0.00 O ATOM 0 H SER A 60 10.910 -11.712 -3.217 1.00 0.00 H new ATOM 0 HA SER A 60 9.164 -11.206 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.278 -14.054 -4.907 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.060 -13.060 -6.333 1.00 0.00 H new ATOM 0 HG SER A 60 11.646 -11.551 -5.059 1.00 0.00 H new ATOM 744 N GLY A 61 6.958 -12.130 -4.780 1.00 0.00 N ATOM 745 CA GLY A 61 5.584 -12.641 -4.878 1.00 0.00 C ATOM 746 C GLY A 61 4.800 -12.737 -3.563 1.00 0.00 C ATOM 747 O GLY A 61 3.581 -12.896 -3.612 1.00 0.00 O ATOM 0 H GLY A 61 7.039 -11.136 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.028 -11.999 -5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.619 -13.633 -5.329 1.00 0.00 H new ATOM 751 N LYS A 62 5.462 -12.496 -2.426 1.00 0.00 N ATOM 752 CA LYS A 62 4.856 -12.579 -1.079 1.00 0.00 C ATOM 753 C LYS A 62 3.573 -11.777 -0.890 1.00 0.00 C ATOM 754 O LYS A 62 2.558 -12.302 -0.464 1.00 0.00 O ATOM 755 CB LYS A 62 5.851 -12.110 0.001 1.00 0.00 C ATOM 756 CG LYS A 62 6.382 -13.298 0.811 1.00 0.00 C ATOM 757 CD LYS A 62 7.048 -14.352 -0.071 1.00 0.00 C ATOM 758 CE LYS A 62 8.513 -14.543 0.281 1.00 0.00 C ATOM 759 NZ LYS A 62 8.917 -15.636 -0.604 1.00 0.00 N ATOM 0 H LYS A 62 6.448 -12.234 -2.408 1.00 0.00 H new ATOM 0 HA LYS A 62 4.602 -13.634 -0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.683 -11.585 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.362 -11.400 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.100 -12.939 1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.560 -13.755 1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.522 -15.301 0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.962 -14.057 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.094 -13.639 0.099 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.647 -14.802 1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.921 -15.856 -0.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.342 -16.478 -0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.776 -15.351 -1.594 1.00 0.00 H new ATOM 773 N ILE A 63 3.726 -10.479 -1.114 1.00 0.00 N ATOM 774 CA ILE A 63 2.664 -9.496 -0.872 1.00 0.00 C ATOM 775 C ILE A 63 2.240 -8.739 -2.127 1.00 0.00 C ATOM 776 O ILE A 63 3.035 -8.058 -2.785 1.00 0.00 O ATOM 777 CB ILE A 63 2.976 -8.598 0.352 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.433 -8.144 0.469 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.546 -9.313 1.639 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.818 -7.074 -0.544 1.00 0.00 C ATOM 0 H ILE A 63 4.591 -10.071 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 63 1.770 -10.056 -0.599 1.00 0.00 H new ATOM 0 HB ILE A 63 2.402 -7.684 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.606 -7.761 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.086 -9.007 0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.766 -8.680 2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.476 -9.515 1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.090 -10.253 1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.863 -6.799 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.677 -7.461 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.190 -6.195 -0.401 1.00 0.00 H new ATOM 792 N ALA A 64 1.034 -9.078 -2.546 1.00 0.00 N ATOM 793 CA ALA A 64 0.380 -8.430 -3.700 1.00 0.00 C ATOM 794 C ALA A 64 0.068 -6.962 -3.358 1.00 0.00 C ATOM 795 O ALA A 64 -0.608 -6.672 -2.381 1.00 0.00 O ATOM 796 CB ALA A 64 -0.887 -9.198 -4.090 1.00 0.00 C ATOM 0 H ALA A 64 0.471 -9.806 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 64 1.052 -8.445 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.360 -8.710 -4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.624 -10.221 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.579 -9.209 -3.248 1.00 0.00 H new ATOM 802 N VAL A 65 0.858 -6.092 -3.989 1.00 0.00 N ATOM 803 CA VAL A 65 0.880 -4.639 -3.734 1.00 0.00 C ATOM 804 C VAL A 65 -0.166 -3.806 -4.500 1.00 0.00 C ATOM 805 O VAL A 65 -0.150 -3.719 -5.721 1.00 0.00 O ATOM 806 CB VAL A 65 2.307 -4.110 -3.912 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.185 -4.531 -2.731 1.00 0.00 C ATOM 808 CG2 VAL A 65 2.977 -4.453 -5.243 1.00 0.00 C ATOM 0 H VAL A 65 1.519 -6.379 -4.711 1.00 0.00 H new ATOM 0 HA VAL A 65 0.567 -4.508 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 65 2.204 -3.025 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.195 -4.147 -2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.770 -4.127 -1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.216 -5.619 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.982 -4.031 -5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.036 -5.536 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.392 -4.037 -6.063 1.00 0.00 H new ATOM 818 N TYR A 66 -1.013 -3.114 -3.746 1.00 0.00 N ATOM 819 CA TYR A 66 -2.137 -2.331 -4.290 1.00 0.00 C ATOM 820 C TYR A 66 -2.095 -0.826 -3.983 1.00 0.00 C ATOM 821 O TYR A 66 -1.748 -0.430 -2.864 1.00 0.00 O ATOM 822 CB TYR A 66 -3.439 -2.960 -3.795 1.00 0.00 C ATOM 823 CG TYR A 66 -3.595 -4.396 -4.296 1.00 0.00 C ATOM 824 CD1 TYR A 66 -3.869 -4.631 -5.656 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.408 -5.472 -3.399 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.956 -5.950 -6.149 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.526 -6.789 -3.873 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.803 -7.017 -5.238 1.00 0.00 C ATOM 829 OH TYR A 66 -4.050 -8.278 -5.664 1.00 0.00 O ATOM 0 H TYR A 66 -0.945 -3.075 -2.729 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.062 -2.376 -5.376 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.458 -2.950 -2.705 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.285 -2.362 -4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.014 -3.797 -6.326 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.177 -5.284 -2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.135 -6.138 -7.197 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.405 -7.622 -3.197 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.963 -8.534 -5.415 1.00 0.00 H new ATOM 839 N LYS A 67 -2.645 -0.040 -4.905 1.00 0.00 N ATOM 840 CA LYS A 67 -2.610 1.442 -4.866 1.00 0.00 C ATOM 841 C LYS A 67 -4.002 2.058 -4.670 1.00 0.00 C ATOM 842 O LYS A 67 -4.778 2.229 -5.620 1.00 0.00 O ATOM 843 CB LYS A 67 -1.997 2.013 -6.154 1.00 0.00 C ATOM 844 CG LYS A 67 -0.537 1.640 -6.361 1.00 0.00 C ATOM 845 CD LYS A 67 -0.325 0.247 -6.955 1.00 0.00 C ATOM 846 CE LYS A 67 1.120 -0.214 -6.725 1.00 0.00 C ATOM 847 NZ LYS A 67 1.266 -1.617 -7.157 1.00 0.00 N ATOM 0 H LYS A 67 -3.138 -0.409 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.991 1.706 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.576 1.660 -7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.085 3.099 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.075 2.377 -7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.020 1.697 -5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.017 -0.460 -6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.544 0.262 -8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.808 0.422 -7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.380 -0.119 -5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.275 -1.866 -7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.780 -2.241 -6.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.846 -1.735 -8.101 1.00 0.00 H new ATOM 861 N LEU A 68 -4.299 2.334 -3.413 1.00 0.00 N ATOM 862 CA LEU A 68 -5.618 2.854 -3.000 1.00 0.00 C ATOM 863 C LEU A 68 -5.736 4.362 -3.260 1.00 0.00 C ATOM 864 O LEU A 68 -5.102 5.180 -2.589 1.00 0.00 O ATOM 865 CB LEU A 68 -5.920 2.512 -1.538 1.00 0.00 C ATOM 866 CG LEU A 68 -7.408 2.604 -1.131 1.00 0.00 C ATOM 867 CD1 LEU A 68 -7.982 4.008 -0.987 1.00 0.00 C ATOM 868 CD2 LEU A 68 -8.295 1.723 -2.024 1.00 0.00 C ATOM 0 H LEU A 68 -3.644 2.209 -2.641 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.370 2.359 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.568 1.500 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.344 3.181 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.420 2.213 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.031 3.944 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.428 4.551 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.898 4.535 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.334 1.814 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.202 2.046 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.979 0.683 -1.938 1.00 0.00 H new ATOM 880 N ASN A 69 -6.620 4.673 -4.200 1.00 0.00 N ATOM 881 CA ASN A 69 -6.971 6.059 -4.550 1.00 0.00 C ATOM 882 C ASN A 69 -7.862 6.600 -3.441 1.00 0.00 C ATOM 883 O ASN A 69 -9.081 6.449 -3.458 1.00 0.00 O ATOM 884 CB ASN A 69 -7.670 6.068 -5.899 1.00 0.00 C ATOM 885 CG ASN A 69 -6.846 5.491 -7.064 1.00 0.00 C ATOM 886 OD1 ASN A 69 -6.456 4.331 -7.103 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.618 6.293 -8.072 1.00 0.00 N ATOM 0 H ASN A 69 -7.120 3.973 -4.748 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.089 6.693 -4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.597 5.501 -5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.945 7.094 -6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.115 5.952 -8.891 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.943 7.259 -8.039 1.00 0.00 H new ATOM 894 N THR A 70 -7.212 7.140 -2.414 1.00 0.00 N ATOM 895 CA THR A 70 -7.870 7.644 -1.190 1.00 0.00 C ATOM 896 C THR A 70 -9.098 8.544 -1.428 1.00 0.00 C ATOM 897 O THR A 70 -10.203 8.240 -0.991 1.00 0.00 O ATOM 898 CB THR A 70 -6.868 8.391 -0.322 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.194 9.381 -1.106 1.00 0.00 O ATOM 900 CG2 THR A 70 -5.879 7.401 0.310 1.00 0.00 C ATOM 0 H THR A 70 -6.198 7.246 -2.398 1.00 0.00 H new ATOM 0 HA THR A 70 -8.243 6.751 -0.689 1.00 0.00 H new ATOM 0 HB THR A 70 -7.391 8.900 0.488 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.557 8.943 -1.709 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.166 7.945 0.929 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.424 6.686 0.926 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.344 6.869 -0.477 1.00 0.00 H new ATOM 908 N ASP A 71 -8.913 9.424 -2.405 1.00 0.00 N ATOM 909 CA ASP A 71 -9.920 10.368 -2.941 1.00 0.00 C ATOM 910 C ASP A 71 -11.105 9.683 -3.641 1.00 0.00 C ATOM 911 O ASP A 71 -12.203 10.236 -3.682 1.00 0.00 O ATOM 912 CB ASP A 71 -9.239 11.391 -3.873 1.00 0.00 C ATOM 913 CG ASP A 71 -8.349 10.848 -5.004 1.00 0.00 C ATOM 914 OD1 ASP A 71 -7.533 9.935 -4.716 1.00 0.00 O ATOM 915 OD2 ASP A 71 -8.474 11.370 -6.125 1.00 0.00 O ATOM 0 H ASP A 71 -8.014 9.513 -2.878 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.351 10.884 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.019 12.004 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -8.631 12.053 -3.257 1.00 0.00 H new ATOM 921 N GLU A 72 -10.836 8.513 -4.212 1.00 0.00 N ATOM 922 CA GLU A 72 -11.845 7.674 -4.908 1.00 0.00 C ATOM 923 C GLU A 72 -12.572 6.745 -3.920 1.00 0.00 C ATOM 924 O GLU A 72 -13.734 6.399 -4.119 1.00 0.00 O ATOM 925 CB GLU A 72 -11.112 6.853 -5.971 1.00 0.00 C ATOM 926 CG GLU A 72 -12.057 6.293 -7.050 1.00 0.00 C ATOM 927 CD GLU A 72 -11.279 5.696 -8.218 1.00 0.00 C ATOM 928 OE1 GLU A 72 -10.557 4.690 -8.001 1.00 0.00 O ATOM 929 OE2 GLU A 72 -11.416 6.257 -9.328 1.00 0.00 O ATOM 0 H GLU A 72 -9.902 8.102 -4.212 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.602 8.309 -5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.354 7.476 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.589 6.027 -5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.700 5.530 -6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.708 7.088 -7.413 1.00 0.00 H new ATOM 937 N ALA A 73 -11.854 6.321 -2.882 1.00 0.00 N ATOM 938 CA ALA A 73 -12.357 5.392 -1.871 1.00 0.00 C ATOM 939 C ALA A 73 -12.239 5.881 -0.410 1.00 0.00 C ATOM 940 O ALA A 73 -11.551 5.256 0.407 1.00 0.00 O ATOM 941 CB ALA A 73 -11.662 4.037 -2.126 1.00 0.00 C ATOM 0 H ALA A 73 -10.892 6.617 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.437 5.300 -1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.007 3.308 -1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.905 3.686 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.583 4.159 -2.036 1.00 0.00 H new ATOM 947 N PRO A 74 -13.066 6.869 -0.006 1.00 0.00 N ATOM 948 CA PRO A 74 -13.146 7.331 1.394 1.00 0.00 C ATOM 949 C PRO A 74 -13.621 6.185 2.303 1.00 0.00 C ATOM 950 O PRO A 74 -12.946 5.874 3.269 1.00 0.00 O ATOM 951 CB PRO A 74 -14.182 8.459 1.400 1.00 0.00 C ATOM 952 CG PRO A 74 -14.193 8.960 -0.036 1.00 0.00 C ATOM 953 CD PRO A 74 -13.933 7.710 -0.865 1.00 0.00 C ATOM 0 HA PRO A 74 -12.176 7.666 1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.164 8.097 1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.905 9.251 2.096 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.149 9.417 -0.292 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.425 9.715 -0.201 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.863 7.198 -1.113 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.442 7.954 -1.807 1.00 0.00 H new ATOM 961 N GLY A 75 -14.582 5.413 1.782 1.00 0.00 N ATOM 962 CA GLY A 75 -15.208 4.228 2.407 1.00 0.00 C ATOM 963 C GLY A 75 -14.217 3.134 2.832 1.00 0.00 C ATOM 964 O GLY A 75 -14.366 2.526 3.884 1.00 0.00 O ATOM 0 H GLY A 75 -14.971 5.605 0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.772 4.550 3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.925 3.799 1.706 1.00 0.00 H new ATOM 968 N ILE A 76 -13.184 2.926 2.005 1.00 0.00 N ATOM 969 CA ILE A 76 -12.085 1.995 2.332 1.00 0.00 C ATOM 970 C ILE A 76 -11.268 2.554 3.504 1.00 0.00 C ATOM 971 O ILE A 76 -11.210 1.959 4.568 1.00 0.00 O ATOM 972 CB ILE A 76 -11.263 1.752 1.048 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.072 1.028 -0.036 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.942 1.032 1.317 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.665 -0.324 0.365 1.00 0.00 C ATOM 0 H ILE A 76 -13.082 3.389 1.102 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.456 1.026 2.667 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.016 2.743 0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.886 1.681 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.429 0.878 -0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.408 0.889 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.332 1.631 1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.142 0.062 1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.215 -0.744 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.862 -1.004 0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.341 -0.189 1.209 1.00 0.00 H new ATOM 987 N ALA A 77 -10.842 3.804 3.335 1.00 0.00 N ATOM 988 CA ALA A 77 -10.120 4.558 4.382 1.00 0.00 C ATOM 989 C ALA A 77 -10.885 4.606 5.717 1.00 0.00 C ATOM 990 O ALA A 77 -10.279 4.440 6.776 1.00 0.00 O ATOM 991 CB ALA A 77 -9.829 5.961 3.850 1.00 0.00 C ATOM 0 H ALA A 77 -10.983 4.331 2.473 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.186 4.042 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.296 6.534 4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.216 5.890 2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.767 6.461 3.610 1.00 0.00 H new ATOM 997 N THR A 78 -12.211 4.701 5.623 1.00 0.00 N ATOM 998 CA THR A 78 -13.155 4.590 6.755 1.00 0.00 C ATOM 999 C THR A 78 -13.037 3.199 7.413 1.00 0.00 C ATOM 1000 O THR A 78 -12.578 3.085 8.544 1.00 0.00 O ATOM 1001 CB THR A 78 -14.574 4.714 6.214 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.731 5.952 5.515 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.690 4.620 7.261 1.00 0.00 C ATOM 0 H THR A 78 -12.681 4.862 4.732 1.00 0.00 H new ATOM 0 HA THR A 78 -12.929 5.370 7.482 1.00 0.00 H new ATOM 0 HB THR A 78 -14.686 3.851 5.558 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.207 5.929 4.687 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.658 4.720 6.771 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.636 3.655 7.764 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.570 5.418 7.994 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.386 2.182 6.631 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.484 0.772 7.056 1.00 0.00 C ATOM 1013 C GLN A 79 -12.224 0.235 7.748 1.00 0.00 C ATOM 1014 O GLN A 79 -12.302 -0.607 8.642 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.777 -0.065 5.798 1.00 0.00 C ATOM 1016 CG GLN A 79 -14.205 -1.510 6.072 1.00 0.00 C ATOM 1017 CD GLN A 79 -15.616 -1.573 6.661 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -16.620 -1.470 5.975 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -15.701 -1.681 7.969 1.00 0.00 N ATOM 0 H GLN A 79 -13.619 2.312 5.646 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.277 0.702 7.800 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.562 0.429 5.225 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.885 -0.078 5.172 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.170 -2.083 5.146 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.500 -1.975 6.761 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -14.853 -1.766 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -16.615 -1.679 8.423 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.075 0.721 7.277 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.744 0.333 7.768 1.00 0.00 C ATOM 1030 C TYR A 80 -9.154 1.239 8.839 1.00 0.00 C ATOM 1031 O TYR A 80 -8.040 1.023 9.301 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.790 0.165 6.582 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.224 -1.010 5.699 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.427 -2.270 6.306 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.869 -0.666 4.494 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.365 -3.160 5.741 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.810 -1.548 3.924 1.00 0.00 C ATOM 1038 CZ TYR A 80 -11.049 -2.784 4.571 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.894 -3.673 3.991 1.00 0.00 O ATOM 0 H TYR A 80 -11.039 1.411 6.527 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.878 -0.619 8.282 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.770 1.081 5.992 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.776 -0.002 6.945 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.872 -2.548 7.190 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.643 0.272 4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.555 -4.118 6.201 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.335 -1.287 3.017 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.294 -3.271 3.192 1.00 0.00 H new ATOM 1049 N ASN A 81 -9.926 2.275 9.207 1.00 0.00 N ATOM 1050 CA ASN A 81 -9.594 3.228 10.272 1.00 0.00 C ATOM 1051 C ASN A 81 -8.186 3.818 10.103 1.00 0.00 C ATOM 1052 O ASN A 81 -7.283 3.719 10.953 1.00 0.00 O ATOM 1053 CB ASN A 81 -9.868 2.537 11.618 1.00 0.00 C ATOM 1054 CG ASN A 81 -9.779 3.495 12.796 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -8.703 3.378 13.534 1.00 0.00 O flip ATOM 1056 ND2 ASN A 81 -10.601 4.375 13.007 1.00 0.00 N flip ATOM 0 H ASN A 81 -10.820 2.475 8.759 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.228 4.113 10.223 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.860 2.086 11.595 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.153 1.727 11.759 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.432 4.448 12.420 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.456 5.036 13.770 1.00 0.00 H new ATOM 1063 N ILE A 82 -8.002 4.374 8.911 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.745 5.044 8.527 1.00 0.00 C ATOM 1065 C ILE A 82 -6.859 6.507 8.938 1.00 0.00 C ATOM 1066 O ILE A 82 -7.805 7.229 8.623 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.324 4.751 7.071 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -6.930 5.671 6.004 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.524 3.284 6.667 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.159 6.988 5.911 1.00 0.00 C ATOM 0 H ILE A 82 -8.712 4.378 8.179 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.892 4.632 9.066 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.257 4.973 7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.917 5.169 5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.974 5.873 6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.209 3.145 5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.928 2.643 7.317 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.577 3.020 6.764 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.610 7.621 5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.195 7.499 6.873 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.121 6.784 5.647 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.004 6.789 9.906 1.00 0.00 N ATOM 1083 CA ARG A 83 -5.907 8.143 10.508 1.00 0.00 C ATOM 1084 C ARG A 83 -4.825 9.031 9.907 1.00 0.00 C ATOM 1085 O ARG A 83 -4.717 10.207 10.243 1.00 0.00 O ATOM 1086 CB ARG A 83 -5.662 7.978 12.000 1.00 0.00 C ATOM 1087 CG ARG A 83 -6.947 7.410 12.541 1.00 0.00 C ATOM 1088 CD ARG A 83 -6.730 7.024 13.976 1.00 0.00 C ATOM 1089 NE ARG A 83 -7.950 6.292 14.318 1.00 0.00 N ATOM 1090 CZ ARG A 83 -8.087 5.566 15.430 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -7.029 5.311 16.178 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -9.235 4.978 15.681 1.00 0.00 N ATOM 0 H ARG A 83 -5.358 6.108 10.305 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.847 8.653 10.297 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.823 7.309 12.191 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.423 8.932 12.469 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.748 8.145 12.463 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.253 6.542 11.957 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.842 6.403 14.095 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.595 7.899 14.612 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.738 6.339 13.672 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.113 5.668 15.905 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.127 4.757 17.029 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.013 5.078 15.029 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.348 4.421 16.528 1.00 0.00 H new ATOM 1106 N SER A 84 -4.037 8.397 9.066 1.00 0.00 N ATOM 1107 CA SER A 84 -2.909 9.053 8.386 1.00 0.00 C ATOM 1108 C SER A 84 -2.468 8.241 7.160 1.00 0.00 C ATOM 1109 O SER A 84 -2.421 7.012 7.176 1.00 0.00 O ATOM 1110 CB SER A 84 -1.739 9.239 9.348 1.00 0.00 C ATOM 1111 OG SER A 84 -0.846 10.199 8.778 1.00 0.00 O ATOM 0 H SER A 84 -4.149 7.412 8.825 1.00 0.00 H new ATOM 0 HA SER A 84 -3.240 10.035 8.048 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.095 9.580 10.320 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.226 8.291 9.511 1.00 0.00 H new ATOM 0 HG SER A 84 -0.085 10.337 9.381 1.00 0.00 H new ATOM 1117 N ILE A 85 -2.232 9.005 6.106 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.858 8.530 4.766 1.00 0.00 C ATOM 1119 C ILE A 85 -0.488 9.098 4.349 1.00 0.00 C ATOM 1120 O ILE A 85 -0.315 10.300 4.570 1.00 0.00 O ATOM 1121 CB ILE A 85 -2.939 8.861 3.701 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.850 10.056 4.031 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -3.714 7.574 3.413 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -4.775 10.503 2.900 1.00 0.00 C ATOM 0 H ILE A 85 -2.297 10.022 6.154 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.785 7.444 4.820 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.431 9.211 2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.460 9.799 4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.224 10.900 4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.483 7.772 2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.030 6.814 3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.182 7.218 4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.374 11.350 3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.178 10.798 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.433 9.680 2.622 1.00 0.00 H new ATOM 1136 N PRO A 86 0.377 8.335 3.651 1.00 0.00 N ATOM 1137 CA PRO A 86 0.195 6.934 3.221 1.00 0.00 C ATOM 1138 C PRO A 86 0.161 5.888 4.336 1.00 0.00 C ATOM 1139 O PRO A 86 0.889 5.945 5.321 1.00 0.00 O ATOM 1140 CB PRO A 86 1.343 6.653 2.250 1.00 0.00 C ATOM 1141 CG PRO A 86 1.691 8.048 1.730 1.00 0.00 C ATOM 1142 CD PRO A 86 1.557 8.902 2.995 1.00 0.00 C ATOM 0 HA PRO A 86 -0.794 6.840 2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.191 6.184 2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.038 5.985 1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.698 8.089 1.315 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.009 8.373 0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.443 8.831 3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.419 9.957 2.757 1.00 0.00 H new ATOM 1150 N THR A 87 -0.849 5.049 4.189 1.00 0.00 N ATOM 1151 CA THR A 87 -1.098 3.927 5.118 1.00 0.00 C ATOM 1152 C THR A 87 -0.757 2.644 4.365 1.00 0.00 C ATOM 1153 O THR A 87 -1.237 2.398 3.248 1.00 0.00 O ATOM 1154 CB THR A 87 -2.573 3.816 5.531 1.00 0.00 C ATOM 1155 OG1 THR A 87 -3.200 5.104 5.505 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.680 3.173 6.912 1.00 0.00 C ATOM 0 H THR A 87 -1.526 5.114 3.429 1.00 0.00 H new ATOM 0 HA THR A 87 -0.500 4.089 6.015 1.00 0.00 H new ATOM 0 HB THR A 87 -3.096 3.180 4.817 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.971 5.596 6.321 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.729 3.098 7.198 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.239 2.177 6.885 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.148 3.785 7.641 1.00 0.00 H new ATOM 1164 N VAL A 88 0.115 1.885 4.998 1.00 0.00 N ATOM 1165 CA VAL A 88 0.573 0.595 4.459 1.00 0.00 C ATOM 1166 C VAL A 88 0.093 -0.532 5.380 1.00 0.00 C ATOM 1167 O VAL A 88 0.361 -0.524 6.583 1.00 0.00 O ATOM 1168 CB VAL A 88 2.080 0.641 4.158 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.932 0.943 5.394 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.553 -0.620 3.439 1.00 0.00 C ATOM 0 H VAL A 88 0.531 2.132 5.896 1.00 0.00 H new ATOM 0 HA VAL A 88 0.126 0.379 3.489 1.00 0.00 H new ATOM 0 HB VAL A 88 2.225 1.481 3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.985 0.961 5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.648 1.912 5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.770 0.170 6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.623 -0.548 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.355 -1.491 4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.019 -0.722 2.495 1.00 0.00 H new ATOM 1180 N LEU A 89 -0.877 -1.253 4.827 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.526 -2.384 5.511 1.00 0.00 C ATOM 1182 C LEU A 89 -1.042 -3.728 4.949 1.00 0.00 C ATOM 1183 O LEU A 89 -0.727 -3.842 3.761 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.056 -2.354 5.378 1.00 0.00 C ATOM 1185 CG LEU A 89 -3.764 -1.211 6.110 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.767 0.068 5.285 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.211 -1.623 6.367 1.00 0.00 C ATOM 0 H LEU A 89 -1.241 -1.075 3.891 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.251 -2.283 6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.309 -2.295 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.453 -3.299 5.748 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.231 -1.018 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.278 0.856 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.740 0.373 5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.285 -0.108 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.731 -0.819 6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.707 -1.820 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.229 -2.524 6.980 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.095 -4.719 5.830 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.697 -6.113 5.534 1.00 0.00 C ATOM 1201 C PHE A 90 -1.884 -7.007 5.895 1.00 0.00 C ATOM 1202 O PHE A 90 -2.445 -6.911 6.987 1.00 0.00 O ATOM 1203 CB PHE A 90 0.537 -6.576 6.318 1.00 0.00 C ATOM 1204 CG PHE A 90 1.650 -5.528 6.361 1.00 0.00 C ATOM 1205 CD1 PHE A 90 2.441 -5.307 5.218 1.00 0.00 C ATOM 1206 CD2 PHE A 90 1.600 -4.575 7.400 1.00 0.00 C ATOM 1207 CE1 PHE A 90 3.136 -4.093 5.086 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.279 -3.348 7.258 1.00 0.00 C ATOM 1209 CZ PHE A 90 3.031 -3.109 6.089 1.00 0.00 C ATOM 0 H PHE A 90 -1.419 -4.588 6.788 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.429 -6.175 4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.240 -6.824 7.337 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.924 -7.490 5.867 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.513 -6.063 4.450 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.043 -4.785 8.301 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.750 -3.914 4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.224 -2.600 8.035 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.532 -2.161 5.961 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.359 -7.669 4.864 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.521 -8.584 4.865 1.00 0.00 C ATOM 1221 C PHE A 91 -3.138 -10.044 4.631 1.00 0.00 C ATOM 1222 O PHE A 91 -2.179 -10.346 3.935 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.478 -8.199 3.734 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.148 -6.847 3.911 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.514 -5.676 3.435 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.448 -6.811 4.452 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.196 -4.450 3.500 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.131 -5.580 4.525 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.493 -4.417 4.054 1.00 0.00 C ATOM 0 H PHE A 91 -1.933 -7.591 3.940 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.975 -8.489 5.851 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.927 -8.197 2.793 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.249 -8.965 3.651 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.516 -5.724 3.026 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.917 -7.717 4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.734 -3.546 3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.128 -5.530 4.936 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.012 -3.472 4.119 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.921 -10.895 5.287 1.00 0.00 N ATOM 1240 CA LYS A 92 -3.898 -12.350 5.061 1.00 0.00 C ATOM 1241 C LYS A 92 -5.098 -12.747 4.175 1.00 0.00 C ATOM 1242 O LYS A 92 -5.256 -12.172 3.101 1.00 0.00 O ATOM 1243 CB LYS A 92 -3.768 -13.122 6.391 1.00 0.00 C ATOM 1244 CG LYS A 92 -4.735 -12.677 7.491 1.00 0.00 C ATOM 1245 CD LYS A 92 -4.481 -13.410 8.809 1.00 0.00 C ATOM 1246 CE LYS A 92 -5.323 -12.850 9.959 1.00 0.00 C ATOM 1247 NZ LYS A 92 -4.928 -11.459 10.264 1.00 0.00 N ATOM 0 H LYS A 92 -4.594 -10.601 5.994 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.006 -12.640 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.926 -14.183 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.748 -13.014 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.635 -11.603 7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.760 -12.858 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.704 -14.469 8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.424 -13.335 9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.380 -12.884 9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.197 -13.472 10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.554 -11.074 10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.945 -11.444 10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.006 -10.879 9.404 1.00 0.00 H new ATOM 1261 N ASN A 93 -6.101 -13.394 4.757 1.00 0.00 N ATOM 1262 CA ASN A 93 -7.269 -13.884 4.000 1.00 0.00 C ATOM 1263 C ASN A 93 -8.388 -12.838 4.082 1.00 0.00 C ATOM 1264 O ASN A 93 -9.325 -12.936 4.880 1.00 0.00 O ATOM 1265 CB ASN A 93 -7.675 -15.247 4.566 1.00 0.00 C ATOM 1266 CG ASN A 93 -8.664 -15.957 3.631 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -8.317 -16.487 2.591 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -9.933 -15.853 3.947 1.00 0.00 N ATOM 0 H ASN A 93 -6.137 -13.597 5.756 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.040 -14.023 2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.789 -15.867 4.703 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.128 -15.117 5.549 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.647 -16.219 3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.206 -15.406 4.822 1.00 0.00 H new ATOM 1275 N GLY A 94 -8.118 -11.755 3.355 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.927 -10.514 3.362 1.00 0.00 C ATOM 1277 C GLY A 94 -9.060 -9.885 4.762 1.00 0.00 C ATOM 1278 O GLY A 94 -9.996 -9.130 5.002 1.00 0.00 O ATOM 0 H GLY A 94 -7.316 -11.704 2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.474 -9.789 2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.921 -10.734 2.973 1.00 0.00 H new ATOM 1282 N GLU A 95 -8.022 -10.056 5.575 1.00 0.00 N ATOM 1283 CA GLU A 95 -8.009 -9.647 6.992 1.00 0.00 C ATOM 1284 C GLU A 95 -6.698 -8.916 7.280 1.00 0.00 C ATOM 1285 O GLU A 95 -5.619 -9.484 7.071 1.00 0.00 O ATOM 1286 CB GLU A 95 -8.049 -10.861 7.926 1.00 0.00 C ATOM 1287 CG GLU A 95 -9.312 -11.723 7.816 1.00 0.00 C ATOM 1288 CD GLU A 95 -9.019 -13.144 8.322 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -8.120 -13.788 7.731 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -9.705 -13.552 9.283 1.00 0.00 O ATOM 0 H GLU A 95 -7.149 -10.488 5.272 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.883 -9.019 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.181 -11.487 7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.954 -10.512 8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.118 -11.279 8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.650 -11.758 6.780 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.813 -7.732 7.858 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.638 -6.897 8.175 1.00 0.00 C ATOM 1300 C ARG A 96 -4.953 -7.266 9.493 1.00 0.00 C ATOM 1301 O ARG A 96 -5.523 -7.240 10.579 1.00 0.00 O ATOM 1302 CB ARG A 96 -5.916 -5.394 8.101 1.00 0.00 C ATOM 1303 CG ARG A 96 -7.164 -4.960 8.864 1.00 0.00 C ATOM 1304 CD ARG A 96 -6.971 -3.573 9.480 1.00 0.00 C ATOM 1305 NE ARG A 96 -6.034 -3.662 10.619 1.00 0.00 N ATOM 1306 CZ ARG A 96 -5.656 -2.641 11.390 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -6.111 -1.414 11.184 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -4.806 -2.831 12.383 1.00 0.00 N ATOM 0 H ARG A 96 -7.706 -7.315 8.123 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.932 -7.131 7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.055 -4.855 8.495 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.022 -5.105 7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.021 -4.947 8.191 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.386 -5.683 9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.584 -2.882 8.731 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.929 -3.176 9.815 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.644 -4.580 10.833 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.765 -1.234 10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.807 -0.650 11.787 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.434 -3.763 12.565 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.522 -2.045 12.968 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.688 -7.590 9.284 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.722 -8.105 10.284 1.00 0.00 C ATOM 1324 C LYS A 97 -2.053 -6.948 11.037 1.00 0.00 C ATOM 1325 O LYS A 97 -1.901 -6.995 12.261 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.657 -8.913 9.551 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.311 -9.963 8.665 1.00 0.00 C ATOM 1328 CD LYS A 97 -1.283 -10.889 8.022 1.00 0.00 C ATOM 1329 CE LYS A 97 -0.479 -10.243 6.895 1.00 0.00 C ATOM 1330 NZ LYS A 97 0.291 -11.274 6.184 1.00 0.00 N ATOM 0 H LYS A 97 -3.266 -7.501 8.360 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.248 -8.728 11.008 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.039 -8.250 8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.996 -9.395 10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.010 -10.553 9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.892 -9.469 7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.594 -11.239 8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.796 -11.767 7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.149 -9.733 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.194 -9.488 7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.837 -10.832 5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.941 -11.741 6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.360 -11.979 5.783 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.582 -5.977 10.267 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.885 -4.783 10.767 1.00 0.00 C ATOM 1346 C GLU A 98 -1.150 -3.610 9.816 1.00 0.00 C ATOM 1347 O GLU A 98 -1.275 -3.803 8.609 1.00 0.00 O ATOM 1348 CB GLU A 98 0.617 -5.053 10.795 1.00 0.00 C ATOM 1349 CG GLU A 98 1.307 -4.533 12.060 1.00 0.00 C ATOM 1350 CD GLU A 98 0.697 -5.152 13.331 1.00 0.00 C ATOM 1351 OE1 GLU A 98 -0.062 -4.400 13.987 1.00 0.00 O ATOM 1352 OE2 GLU A 98 1.016 -6.321 13.630 1.00 0.00 O ATOM 0 H GLU A 98 -1.672 -5.991 9.251 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.243 -4.545 11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.787 -6.127 10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.078 -4.590 9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.371 -4.764 12.016 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.218 -3.448 12.104 1.00 0.00 H new ATOM 1360 N SER A 99 -1.216 -2.436 10.428 1.00 0.00 N ATOM 1361 CA SER A 99 -1.485 -1.185 9.699 1.00 0.00 C ATOM 1362 C SER A 99 -0.595 -0.038 10.187 1.00 0.00 C ATOM 1363 O SER A 99 -0.693 0.408 11.337 1.00 0.00 O ATOM 1364 CB SER A 99 -2.953 -0.766 9.865 1.00 0.00 C ATOM 1365 OG SER A 99 -3.762 -1.799 9.293 1.00 0.00 O ATOM 0 H SER A 99 -1.087 -2.314 11.433 1.00 0.00 H new ATOM 0 HA SER A 99 -1.266 -1.381 8.649 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.196 -0.628 10.919 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.139 0.186 9.368 1.00 0.00 H new ATOM 0 HG SER A 99 -4.653 -1.443 9.092 1.00 0.00 H new ATOM 1371 N ILE A 100 0.303 0.390 9.305 1.00 0.00 N ATOM 1372 CA ILE A 100 1.220 1.492 9.589 1.00 0.00 C ATOM 1373 C ILE A 100 0.721 2.785 8.906 1.00 0.00 C ATOM 1374 O ILE A 100 0.736 2.939 7.692 1.00 0.00 O ATOM 1375 CB ILE A 100 2.685 1.109 9.284 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.245 0.128 10.324 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.628 2.302 9.246 1.00 0.00 C ATOM 1378 CD1 ILE A 100 2.819 -1.330 10.126 1.00 0.00 C ATOM 0 H ILE A 100 0.417 -0.015 8.376 1.00 0.00 H new ATOM 0 HA ILE A 100 1.223 1.704 10.658 1.00 0.00 H new ATOM 0 HB ILE A 100 2.643 0.652 8.296 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.334 0.180 10.303 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.930 0.453 11.316 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.639 1.960 9.027 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.304 2.997 8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.617 2.805 10.213 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.262 -1.948 10.907 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.733 -1.402 10.179 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.158 -1.679 9.151 1.00 0.00 H new ATOM 1390 N ILE A 101 0.152 3.597 9.779 1.00 0.00 N ATOM 1391 CA ILE A 101 -0.426 4.918 9.480 1.00 0.00 C ATOM 1392 C ILE A 101 0.629 6.039 9.380 1.00 0.00 C ATOM 1393 O ILE A 101 1.494 6.155 10.238 1.00 0.00 O ATOM 1394 CB ILE A 101 -1.512 5.285 10.511 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -1.334 4.753 11.935 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -2.905 4.936 9.975 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -0.784 5.816 12.885 1.00 0.00 C ATOM 0 H ILE A 101 0.071 3.352 10.766 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.881 4.835 8.493 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.395 6.362 10.628 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.293 4.395 12.310 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.658 3.898 11.919 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.658 5.202 10.717 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.090 5.490 9.055 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.959 3.867 9.771 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.675 5.391 13.883 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.188 6.156 12.527 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.472 6.661 12.923 1.00 0.00 H new ATOM 1409 N GLY A 102 0.671 6.644 8.191 1.00 0.00 N ATOM 1410 CA GLY A 102 1.495 7.834 7.887 1.00 0.00 C ATOM 1411 C GLY A 102 2.960 7.536 7.542 1.00 0.00 C ATOM 1412 O GLY A 102 3.450 7.935 6.486 1.00 0.00 O ATOM 0 H GLY A 102 0.126 6.321 7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.042 8.368 7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.469 8.505 8.746 1.00 0.00 H new ATOM 1416 N ALA A 103 3.604 6.809 8.439 1.00 0.00 N ATOM 1417 CA ALA A 103 5.034 6.469 8.361 1.00 0.00 C ATOM 1418 C ALA A 103 5.361 5.456 7.258 1.00 0.00 C ATOM 1419 O ALA A 103 5.147 4.254 7.395 1.00 0.00 O ATOM 1420 CB ALA A 103 5.510 5.979 9.731 1.00 0.00 C ATOM 0 H ALA A 103 3.146 6.425 9.265 1.00 0.00 H new ATOM 0 HA ALA A 103 5.574 7.375 8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.569 5.726 9.679 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.361 6.766 10.471 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.940 5.096 10.020 1.00 0.00 H new ATOM 1426 N VAL A 104 5.776 5.997 6.120 1.00 0.00 N ATOM 1427 CA VAL A 104 6.205 5.178 4.968 1.00 0.00 C ATOM 1428 C VAL A 104 7.687 5.402 4.570 1.00 0.00 C ATOM 1429 O VAL A 104 7.981 6.191 3.658 1.00 0.00 O ATOM 1430 CB VAL A 104 5.174 5.325 3.819 1.00 0.00 C ATOM 1431 CG1 VAL A 104 5.022 6.768 3.303 1.00 0.00 C ATOM 1432 CG2 VAL A 104 5.433 4.374 2.660 1.00 0.00 C ATOM 0 H VAL A 104 5.829 7.003 5.959 1.00 0.00 H new ATOM 0 HA VAL A 104 6.205 4.127 5.256 1.00 0.00 H new ATOM 0 HB VAL A 104 4.225 5.045 4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.284 6.792 2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.693 7.413 4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.981 7.122 2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.678 4.526 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.421 4.569 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.386 3.345 3.016 1.00 0.00 H new ATOM 1442 N PRO A 105 8.639 4.825 5.325 1.00 0.00 N ATOM 1443 CA PRO A 105 10.055 4.827 4.912 1.00 0.00 C ATOM 1444 C PRO A 105 10.308 3.492 4.170 1.00 0.00 C ATOM 1445 O PRO A 105 9.668 3.249 3.153 1.00 0.00 O ATOM 1446 CB PRO A 105 10.813 5.020 6.229 1.00 0.00 C ATOM 1447 CG PRO A 105 9.955 4.282 7.265 1.00 0.00 C ATOM 1448 CD PRO A 105 8.524 4.485 6.757 1.00 0.00 C ATOM 0 HA PRO A 105 10.373 5.604 4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.819 4.604 6.175 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.918 6.076 6.478 1.00 0.00 H new ATOM 0 HG2 PRO A 105 10.215 3.225 7.321 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.088 4.696 8.264 1.00 0.00 H new ATOM 0 HD2 PRO A 105 7.930 3.582 6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.025 5.283 7.308 1.00 0.00 H new ATOM 1456 N LYS A 106 11.187 2.648 4.703 1.00 0.00 N ATOM 1457 CA LYS A 106 11.489 1.315 4.151 1.00 0.00 C ATOM 1458 C LYS A 106 11.427 0.203 5.197 1.00 0.00 C ATOM 1459 O LYS A 106 10.415 -0.482 5.333 1.00 0.00 O ATOM 1460 CB LYS A 106 12.874 1.400 3.475 1.00 0.00 C ATOM 1461 CG LYS A 106 13.294 0.133 2.720 1.00 0.00 C ATOM 1462 CD LYS A 106 12.391 -0.070 1.513 1.00 0.00 C ATOM 1463 CE LYS A 106 13.197 -0.386 0.261 1.00 0.00 C ATOM 1464 NZ LYS A 106 12.250 -0.389 -0.860 1.00 0.00 N ATOM 0 H LYS A 106 11.722 2.867 5.544 1.00 0.00 H new ATOM 0 HA LYS A 106 10.725 1.043 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.873 2.239 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.623 1.619 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 106 14.332 0.217 2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 106 13.234 -0.732 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.693 -0.883 1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.796 0.828 1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.978 0.358 0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.691 -1.353 0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.678 -0.872 -1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.381 -0.887 -0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 12.018 0.591 -1.121 1.00 0.00 H new ATOM 1478 N SER A 107 12.392 0.257 6.114 1.00 0.00 N ATOM 1479 CA SER A 107 12.635 -0.751 7.163 1.00 0.00 C ATOM 1480 C SER A 107 11.408 -1.115 8.009 1.00 0.00 C ATOM 1481 O SER A 107 11.088 -2.293 8.110 1.00 0.00 O ATOM 1482 CB SER A 107 13.777 -0.268 8.061 1.00 0.00 C ATOM 1483 OG SER A 107 13.513 1.077 8.493 1.00 0.00 O ATOM 0 H SER A 107 13.055 1.031 6.154 1.00 0.00 H new ATOM 0 HA SER A 107 12.900 -1.673 6.646 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.877 -0.925 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.722 -0.308 7.519 1.00 0.00 H new ATOM 0 HG SER A 107 14.244 1.385 9.069 1.00 0.00 H new ATOM 1489 N THR A 108 10.679 -0.118 8.486 1.00 0.00 N ATOM 1490 CA THR A 108 9.439 -0.298 9.257 1.00 0.00 C ATOM 1491 C THR A 108 8.369 -1.142 8.569 1.00 0.00 C ATOM 1492 O THR A 108 7.923 -2.163 9.091 1.00 0.00 O ATOM 1493 CB THR A 108 8.893 1.120 9.523 1.00 0.00 C ATOM 1494 OG1 THR A 108 9.974 1.972 9.903 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.774 1.133 10.564 1.00 0.00 C ATOM 0 H THR A 108 10.930 0.861 8.350 1.00 0.00 H new ATOM 0 HA THR A 108 9.679 -0.851 10.165 1.00 0.00 H new ATOM 0 HB THR A 108 8.443 1.493 8.603 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.634 2.876 10.072 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.427 2.156 10.712 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.946 0.516 10.216 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.150 0.737 11.507 1.00 0.00 H new ATOM 1503 N LEU A 109 8.190 -0.825 7.297 1.00 0.00 N ATOM 1504 CA LEU A 109 7.225 -1.495 6.411 1.00 0.00 C ATOM 1505 C LEU A 109 7.687 -2.939 6.174 1.00 0.00 C ATOM 1506 O LEU A 109 6.975 -3.864 6.554 1.00 0.00 O ATOM 1507 CB LEU A 109 7.042 -0.794 5.060 1.00 0.00 C ATOM 1508 CG LEU A 109 7.162 0.743 5.075 1.00 0.00 C ATOM 1509 CD1 LEU A 109 6.781 1.264 3.696 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.301 1.436 6.131 1.00 0.00 C ATOM 0 H LEU A 109 8.715 -0.083 6.834 1.00 0.00 H new ATOM 0 HA LEU A 109 6.257 -1.462 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.782 -1.190 4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.061 -1.058 4.666 1.00 0.00 H new ATOM 0 HG LEU A 109 8.194 0.976 5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.859 2.351 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.454 0.843 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.756 0.971 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.448 2.514 6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.251 1.202 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.589 1.086 7.122 1.00 0.00 H new ATOM 1522 N THR A 110 8.995 -3.076 5.940 1.00 0.00 N ATOM 1523 CA THR A 110 9.651 -4.378 5.673 1.00 0.00 C ATOM 1524 C THR A 110 9.518 -5.323 6.870 1.00 0.00 C ATOM 1525 O THR A 110 9.004 -6.436 6.797 1.00 0.00 O ATOM 1526 CB THR A 110 11.115 -4.227 5.270 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.227 -3.278 4.210 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.638 -5.577 4.773 1.00 0.00 C ATOM 0 H THR A 110 9.641 -2.287 5.928 1.00 0.00 H new ATOM 0 HA THR A 110 9.128 -4.816 4.823 1.00 0.00 H new ATOM 0 HB THR A 110 11.692 -3.889 6.130 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.052 -2.378 4.557 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.684 -5.478 4.483 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.551 -6.316 5.569 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.052 -5.900 3.912 1.00 0.00 H new ATOM 1536 N ASP A 111 9.896 -4.755 8.006 1.00 0.00 N ATOM 1537 CA ASP A 111 9.832 -5.345 9.347 1.00 0.00 C ATOM 1538 C ASP A 111 8.440 -5.960 9.603 1.00 0.00 C ATOM 1539 O ASP A 111 8.321 -7.173 9.803 1.00 0.00 O ATOM 1540 CB ASP A 111 10.082 -4.167 10.304 1.00 0.00 C ATOM 1541 CG ASP A 111 10.222 -4.600 11.770 1.00 0.00 C ATOM 1542 OD1 ASP A 111 9.169 -4.782 12.408 1.00 0.00 O ATOM 1543 OD2 ASP A 111 11.389 -4.691 12.220 1.00 0.00 O ATOM 0 H ASP A 111 10.281 -3.810 8.023 1.00 0.00 H new ATOM 0 HA ASP A 111 10.558 -6.148 9.479 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.988 -3.644 9.998 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.260 -3.457 10.218 1.00 0.00 H new ATOM 1549 N SER A 112 7.431 -5.147 9.274 1.00 0.00 N ATOM 1550 CA SER A 112 6.019 -5.526 9.444 1.00 0.00 C ATOM 1551 C SER A 112 5.460 -6.638 8.559 1.00 0.00 C ATOM 1552 O SER A 112 4.349 -7.076 8.829 1.00 0.00 O ATOM 1553 CB SER A 112 5.113 -4.287 9.409 1.00 0.00 C ATOM 1554 OG SER A 112 3.832 -4.641 9.951 1.00 0.00 O ATOM 0 H SER A 112 7.565 -4.214 8.885 1.00 0.00 H new ATOM 0 HA SER A 112 6.015 -5.989 10.431 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.558 -3.477 9.987 1.00 0.00 H new ATOM 0 HB3 SER A 112 5.004 -3.926 8.386 1.00 0.00 H new ATOM 0 HG SER A 112 3.615 -5.563 9.701 1.00 0.00 H new ATOM 1560 N ILE A 113 6.161 -7.062 7.513 1.00 0.00 N ATOM 1561 CA ILE A 113 5.754 -8.279 6.763 1.00 0.00 C ATOM 1562 C ILE A 113 6.476 -9.520 7.296 1.00 0.00 C ATOM 1563 O ILE A 113 5.929 -10.618 7.385 1.00 0.00 O ATOM 1564 CB ILE A 113 6.008 -8.428 5.262 1.00 0.00 C ATOM 1565 CG1 ILE A 113 7.064 -7.520 4.670 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.699 -8.512 4.506 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.638 -6.064 4.551 1.00 0.00 C ATOM 0 H ILE A 113 7.000 -6.602 7.158 1.00 0.00 H new ATOM 0 HA ILE A 113 4.680 -8.174 6.915 1.00 0.00 H new ATOM 0 HB ILE A 113 6.506 -9.388 5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.962 -7.575 5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.333 -7.890 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.901 -8.618 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.132 -9.375 4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.121 -7.604 4.678 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.451 -5.481 4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.759 -5.993 3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.398 -5.673 5.540 1.00 0.00 H new ATOM 1579 N GLU A 114 7.783 -9.330 7.381 1.00 0.00 N ATOM 1580 CA GLU A 114 8.762 -10.368 7.748 1.00 0.00 C ATOM 1581 C GLU A 114 8.522 -10.954 9.140 1.00 0.00 C ATOM 1582 O GLU A 114 8.733 -12.142 9.358 1.00 0.00 O ATOM 1583 CB GLU A 114 10.168 -9.819 7.534 1.00 0.00 C ATOM 1584 CG GLU A 114 10.284 -9.359 6.076 1.00 0.00 C ATOM 1585 CD GLU A 114 11.737 -9.027 5.727 1.00 0.00 C ATOM 1586 OE1 GLU A 114 12.293 -8.132 6.392 1.00 0.00 O ATOM 1587 OE2 GLU A 114 12.254 -9.696 4.798 1.00 0.00 O ATOM 0 H GLU A 114 8.216 -8.426 7.193 1.00 0.00 H new ATOM 0 HA GLU A 114 8.635 -11.228 7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.359 -8.987 8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.913 -10.585 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.915 -10.141 5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.657 -8.482 5.915 1.00 0.00 H new ATOM 1595 N LYS A 115 7.844 -10.150 9.949 1.00 0.00 N ATOM 1596 CA LYS A 115 7.191 -10.505 11.209 1.00 0.00 C ATOM 1597 C LYS A 115 6.333 -11.785 11.061 1.00 0.00 C ATOM 1598 O LYS A 115 6.347 -12.660 11.926 1.00 0.00 O ATOM 1599 CB LYS A 115 6.291 -9.283 11.418 1.00 0.00 C ATOM 1600 CG LYS A 115 5.458 -9.332 12.699 1.00 0.00 C ATOM 1601 CD LYS A 115 4.356 -8.289 12.610 1.00 0.00 C ATOM 1602 CE LYS A 115 4.851 -6.860 12.878 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.144 -6.730 14.315 1.00 0.00 N ATOM 0 H LYS A 115 7.726 -9.161 9.729 1.00 0.00 H new ATOM 0 HA LYS A 115 7.882 -10.717 12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.912 -8.387 11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.620 -9.190 10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.028 -10.325 12.831 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.089 -9.140 13.567 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.905 -8.330 11.618 1.00 0.00 H new ATOM 0 HD3 LYS A 115 3.573 -8.536 13.327 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.744 -6.652 12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.095 -6.134 12.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.216 -5.723 14.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.380 -7.170 14.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.044 -7.206 14.530 1.00 0.00 H new ATOM 1617 N TYR A 116 5.643 -11.875 9.924 1.00 0.00 N ATOM 1618 CA TYR A 116 4.729 -12.977 9.559 1.00 0.00 C ATOM 1619 C TYR A 116 5.450 -14.125 8.831 1.00 0.00 C ATOM 1620 O TYR A 116 5.216 -15.282 9.128 1.00 0.00 O ATOM 1621 CB TYR A 116 3.644 -12.436 8.613 1.00 0.00 C ATOM 1622 CG TYR A 116 2.910 -11.229 9.187 1.00 0.00 C ATOM 1623 CD1 TYR A 116 2.336 -11.331 10.467 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.880 -10.039 8.436 1.00 0.00 C ATOM 1625 CE1 TYR A 116 1.744 -10.205 11.044 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.277 -8.913 9.001 1.00 0.00 C ATOM 1627 CZ TYR A 116 1.744 -9.008 10.304 1.00 0.00 C ATOM 1628 OH TYR A 116 1.298 -7.871 10.889 1.00 0.00 O ATOM 0 H TYR A 116 5.702 -11.160 9.199 1.00 0.00 H new ATOM 0 HA TYR A 116 4.308 -13.365 10.487 1.00 0.00 H new ATOM 0 HB2 TYR A 116 4.101 -12.160 7.663 1.00 0.00 H new ATOM 0 HB3 TYR A 116 2.924 -13.227 8.402 1.00 0.00 H new ATOM 0 HD1 TYR A 116 2.353 -12.271 10.999 1.00 0.00 H new ATOM 0 HD2 TYR A 116 3.313 -9.998 7.447 1.00 0.00 H new ATOM 0 HE1 TYR A 116 1.300 -10.252 12.027 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.220 -7.986 8.450 1.00 0.00 H new ATOM 0 HH TYR A 116 1.476 -7.907 11.852 1.00 0.00 H new ATOM 1638 N LEU A 117 6.280 -13.745 7.855 1.00 0.00 N ATOM 1639 CA LEU A 117 7.110 -14.687 7.073 1.00 0.00 C ATOM 1640 C LEU A 117 8.069 -15.510 7.965 1.00 0.00 C ATOM 1641 O LEU A 117 8.528 -16.587 7.602 1.00 0.00 O ATOM 1642 CB LEU A 117 7.882 -13.930 5.982 1.00 0.00 C ATOM 1643 CG LEU A 117 6.961 -13.055 5.110 1.00 0.00 C ATOM 1644 CD1 LEU A 117 7.791 -12.213 4.137 1.00 0.00 C ATOM 1645 CD2 LEU A 117 5.901 -13.882 4.366 1.00 0.00 C ATOM 0 H LEU A 117 6.401 -12.771 7.578 1.00 0.00 H new ATOM 0 HA LEU A 117 6.438 -15.403 6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 117 8.641 -13.302 6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.405 -14.646 5.348 1.00 0.00 H new ATOM 0 HG LEU A 117 6.419 -12.385 5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.127 -11.600 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.466 -11.568 4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.372 -12.871 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.278 -13.219 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.394 -14.604 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.278 -14.410 5.088 1.00 0.00 H new TER 1657 LEU A 117