USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1026 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 100 ASN :FLIP amide:sc= 0.168 F(o=-6.1,f=-4.5) USER MOD Set 1.2: A 119 TYR OH : rot -161:sc= -4.68 USER MOD Set 2.1: A 115 GLN :FLIP amide:sc= -2.04! F(o=-2.8,f=-1.6!) USER MOD Set 2.2: A 117 TYR OH : rot 3:sc= 0.447 USER MOD Set 3.1: A 11 SER OG : rot -152:sc= 0.917 USER MOD Set 3.2: A 33 HIS : no HD1:sc= -1.54 K(o=-0.63,f=-7.1!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -127:sc= -0.399 (180deg=-0.591) USER MOD Single : A 13 ASN : amide:sc= -0.944 K(o=-0.94,f=-5.8!) USER MOD Single : A 14 TYR OH : rot -125:sc= 1.15 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -156:sc= -8.53! (180deg=-9.47!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -176:sc= -6.99! (180deg=-7.17!) USER MOD Single : A 24 ASN : amide:sc= -4.59! C(o=-4.6!,f=-14!) USER MOD Single : A 27 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.267) USER MOD Single : A 29 LYS NZ :NH3+ -135:sc= -0.373 (180deg=-2.2!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 37 LYS NZ :NH3+ -133:sc= -2.73 (180deg=-7.01!) USER MOD Single : A 39 THR OG1 : rot 116:sc= 1.15 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -2.95 F(o=-5.3!,f=-2.9) USER MOD Single : A 45 ASN : amide:sc= -0.645 X(o=-0.64,f=-0.26) USER MOD Single : A 46 LYS NZ :NH3+ 164:sc=-0.00603 (180deg=-0.0873) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 148:sc= -1.14 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -54:sc= 0.573 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 70 TYR OH : rot -178:sc= -0.143 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.067) USER MOD Single : A 88 LYS NZ :NH3+ 177:sc= 0.0226 (180deg=0.00809) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -145:sc= -0.536 (180deg=-1.74!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 103 ASN : amide:sc= -0.616 K(o=-0.62,f=-2.6!) USER MOD Single : A 104 THR OG1 : rot 104:sc= 1.04 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.07) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.347 0.667 17.781 1.00 0.00 N ATOM 2 CA ALA A 1 -4.170 -0.498 17.363 1.00 0.00 C ATOM 3 C ALA A 1 -4.055 -0.738 15.861 1.00 0.00 C ATOM 4 O ALA A 1 -5.016 -0.546 15.115 1.00 0.00 O ATOM 5 CB ALA A 1 -5.624 -0.283 17.755 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.442 0.809 18.807 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.349 0.489 17.547 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.673 1.519 17.282 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.794 -1.383 17.877 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.216 -1.143 17.443 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.696 -0.166 18.836 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.004 0.615 17.267 1.00 0.00 H new ATOM 13 N PHE A 2 -2.873 -1.158 15.422 1.00 0.00 N ATOM 14 CA PHE A 2 -2.634 -1.423 14.009 1.00 0.00 C ATOM 15 C PHE A 2 -2.969 -2.873 13.662 1.00 0.00 C ATOM 16 O PHE A 2 -3.676 -3.142 12.691 1.00 0.00 O ATOM 17 CB PHE A 2 -1.176 -1.125 13.653 1.00 0.00 C ATOM 18 CG PHE A 2 -0.977 0.225 13.027 1.00 0.00 C ATOM 19 CD1 PHE A 2 -1.645 0.568 11.863 1.00 0.00 C ATOM 20 CD2 PHE A 2 -0.121 1.151 13.602 1.00 0.00 C ATOM 21 CE1 PHE A 2 -1.464 1.809 11.284 1.00 0.00 C ATOM 22 CE2 PHE A 2 0.064 2.394 13.028 1.00 0.00 C ATOM 23 CZ PHE A 2 -0.609 2.724 11.867 1.00 0.00 C ATOM 0 H PHE A 2 -2.066 -1.322 16.024 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.284 -0.770 13.427 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -0.569 -1.191 14.556 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -0.813 -1.891 12.968 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.315 -0.143 11.403 1.00 0.00 H new ATOM 0 HD2 PHE A 2 0.408 0.898 14.509 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.991 2.064 10.376 1.00 0.00 H new ATOM 0 HE2 PHE A 2 0.734 3.107 13.486 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.467 3.695 11.416 1.00 0.00 H new ATOM 33 N ASP A 3 -2.455 -3.804 14.465 1.00 0.00 N ATOM 34 CA ASP A 3 -2.698 -5.229 14.246 1.00 0.00 C ATOM 35 C ASP A 3 -4.192 -5.519 14.147 1.00 0.00 C ATOM 36 O ASP A 3 -4.919 -5.414 15.134 1.00 0.00 O ATOM 37 CB ASP A 3 -2.090 -6.053 15.382 1.00 0.00 C ATOM 38 CG ASP A 3 -0.596 -5.844 15.516 1.00 0.00 C ATOM 39 OD1 ASP A 3 -0.181 -4.710 15.835 1.00 0.00 O ATOM 40 OD2 ASP A 3 0.160 -6.817 15.305 1.00 0.00 O ATOM 0 H ASP A 3 -1.868 -3.597 15.273 1.00 0.00 H new ATOM 0 HA ASP A 3 -2.225 -5.509 13.305 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.576 -5.786 16.320 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.291 -7.110 15.208 1.00 0.00 H new ATOM 45 N SER A 4 -4.647 -5.881 12.950 1.00 0.00 N ATOM 46 CA SER A 4 -6.059 -6.181 12.730 1.00 0.00 C ATOM 47 C SER A 4 -6.353 -6.386 11.247 1.00 0.00 C ATOM 48 O SER A 4 -5.470 -6.245 10.401 1.00 0.00 O ATOM 49 CB SER A 4 -6.931 -5.041 13.267 1.00 0.00 C ATOM 50 OG SER A 4 -7.891 -5.523 14.191 1.00 0.00 O ATOM 0 H SER A 4 -4.061 -5.973 12.120 1.00 0.00 H new ATOM 0 HA SER A 4 -6.291 -7.103 13.263 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.301 -4.294 13.749 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.437 -4.545 12.439 1.00 0.00 H new ATOM 0 HG SER A 4 -8.433 -4.775 14.520 1.00 0.00 H new ATOM 56 N THR A 5 -7.610 -6.694 10.941 1.00 0.00 N ATOM 57 CA THR A 5 -8.036 -6.890 9.561 1.00 0.00 C ATOM 58 C THR A 5 -8.471 -5.553 8.981 1.00 0.00 C ATOM 59 O THR A 5 -9.362 -4.898 9.522 1.00 0.00 O ATOM 60 CB THR A 5 -9.187 -7.893 9.489 1.00 0.00 C ATOM 61 OG1 THR A 5 -8.791 -9.151 10.004 1.00 0.00 O ATOM 62 CG2 THR A 5 -9.693 -8.110 8.083 1.00 0.00 C ATOM 0 H THR A 5 -8.351 -6.813 11.632 1.00 0.00 H new ATOM 0 HA THR A 5 -7.203 -7.289 8.983 1.00 0.00 H new ATOM 0 HB THR A 5 -9.989 -7.461 10.087 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.542 -9.778 9.950 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.509 -8.832 8.098 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.052 -7.165 7.675 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.884 -8.490 7.460 1.00 0.00 H new ATOM 70 N TRP A 6 -7.821 -5.126 7.903 1.00 0.00 N ATOM 71 CA TRP A 6 -8.140 -3.841 7.302 1.00 0.00 C ATOM 72 C TRP A 6 -8.729 -3.992 5.908 1.00 0.00 C ATOM 73 O TRP A 6 -8.168 -4.662 5.042 1.00 0.00 O ATOM 74 CB TRP A 6 -6.890 -2.956 7.258 1.00 0.00 C ATOM 75 CG TRP A 6 -6.464 -2.455 8.604 1.00 0.00 C ATOM 76 CD1 TRP A 6 -6.674 -3.064 9.807 1.00 0.00 C ATOM 77 CD2 TRP A 6 -5.751 -1.246 8.885 1.00 0.00 C ATOM 78 NE1 TRP A 6 -6.139 -2.308 10.819 1.00 0.00 N ATOM 79 CE2 TRP A 6 -5.566 -1.188 10.280 1.00 0.00 C ATOM 80 CE3 TRP A 6 -5.251 -0.208 8.095 1.00 0.00 C ATOM 81 CZ2 TRP A 6 -4.904 -0.135 10.900 1.00 0.00 C ATOM 82 CZ3 TRP A 6 -4.593 0.838 8.713 1.00 0.00 C ATOM 83 CH2 TRP A 6 -4.424 0.868 10.104 1.00 0.00 C ATOM 0 H TRP A 6 -7.079 -5.646 7.434 1.00 0.00 H new ATOM 0 HA TRP A 6 -8.898 -3.366 7.925 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.070 -3.521 6.813 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -7.081 -2.104 6.606 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -7.187 -4.005 9.943 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -6.164 -2.542 11.811 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.376 -0.223 7.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -4.773 -0.110 11.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.202 1.647 8.114 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.904 1.700 10.556 1.00 0.00 H new ATOM 94 N LYS A 7 -9.862 -3.331 5.708 1.00 0.00 N ATOM 95 CA LYS A 7 -10.556 -3.342 4.427 1.00 0.00 C ATOM 96 C LYS A 7 -10.682 -1.924 3.883 1.00 0.00 C ATOM 97 O LYS A 7 -11.385 -1.086 4.443 1.00 0.00 O ATOM 98 CB LYS A 7 -11.935 -4.004 4.582 1.00 0.00 C ATOM 99 CG LYS A 7 -12.973 -3.592 3.540 1.00 0.00 C ATOM 100 CD LYS A 7 -14.281 -3.164 4.193 1.00 0.00 C ATOM 101 CE LYS A 7 -14.350 -1.655 4.386 1.00 0.00 C ATOM 102 NZ LYS A 7 -14.376 -0.928 3.087 1.00 0.00 N ATOM 0 H LYS A 7 -10.324 -2.774 6.427 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.977 -3.925 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.808 -5.086 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.324 -3.769 5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.580 -2.772 2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.159 -4.425 2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.119 -3.490 3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.384 -3.659 5.159 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.241 -1.403 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.491 -1.324 4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.625 -0.209 3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.222 -1.601 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.300 -0.465 2.967 1.00 0.00 H new ATOM 116 N VAL A 8 -9.990 -1.669 2.783 1.00 0.00 N ATOM 117 CA VAL A 8 -10.014 -0.360 2.156 1.00 0.00 C ATOM 118 C VAL A 8 -11.413 -0.021 1.644 1.00 0.00 C ATOM 119 O VAL A 8 -12.109 -0.879 1.103 1.00 0.00 O ATOM 120 CB VAL A 8 -8.990 -0.287 1.002 1.00 0.00 C ATOM 121 CG1 VAL A 8 -9.587 -0.785 -0.310 1.00 0.00 C ATOM 122 CG2 VAL A 8 -8.463 1.129 0.859 1.00 0.00 C ATOM 0 H VAL A 8 -9.404 -2.354 2.306 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.739 0.376 2.912 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.157 -0.946 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.838 -0.719 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.903 -1.822 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.448 -0.171 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.742 1.168 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.291 1.805 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.977 1.432 1.787 1.00 0.00 H new ATOM 132 N ASP A 9 -11.821 1.232 1.825 1.00 0.00 N ATOM 133 CA ASP A 9 -13.140 1.672 1.385 1.00 0.00 C ATOM 134 C ASP A 9 -13.056 2.437 0.068 1.00 0.00 C ATOM 135 O ASP A 9 -13.440 1.922 -0.982 1.00 0.00 O ATOM 136 CB ASP A 9 -13.796 2.544 2.457 1.00 0.00 C ATOM 137 CG ASP A 9 -15.179 3.018 2.052 1.00 0.00 C ATOM 138 OD1 ASP A 9 -16.137 2.226 2.173 1.00 0.00 O ATOM 139 OD2 ASP A 9 -15.303 4.180 1.612 1.00 0.00 O ATOM 0 H ASP A 9 -11.260 1.957 2.271 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.752 0.784 1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.866 1.980 3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.163 3.409 2.656 1.00 0.00 H new ATOM 144 N ARG A 10 -12.553 3.667 0.126 1.00 0.00 N ATOM 145 CA ARG A 10 -12.427 4.488 -1.074 1.00 0.00 C ATOM 146 C ARG A 10 -10.968 4.834 -1.344 1.00 0.00 C ATOM 147 O ARG A 10 -10.119 4.726 -0.459 1.00 0.00 O ATOM 148 CB ARG A 10 -13.255 5.770 -0.943 1.00 0.00 C ATOM 149 CG ARG A 10 -12.988 6.546 0.331 1.00 0.00 C ATOM 150 CD ARG A 10 -13.990 7.675 0.514 1.00 0.00 C ATOM 151 NE ARG A 10 -15.328 7.177 0.826 1.00 0.00 N ATOM 152 CZ ARG A 10 -15.732 6.846 2.051 1.00 0.00 C ATOM 153 NH1 ARG A 10 -14.903 6.949 3.082 1.00 0.00 N ATOM 154 NH2 ARG A 10 -16.968 6.408 2.244 1.00 0.00 N ATOM 0 H ARG A 10 -12.229 4.114 0.983 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.808 3.910 -1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.049 6.413 -1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.313 5.513 -0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.037 5.872 1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.978 6.955 0.305 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.652 8.332 1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.030 8.275 -0.395 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.993 7.077 0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.950 7.283 2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.219 6.694 4.018 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.609 6.325 1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.279 6.154 3.182 1.00 0.00 H new ATOM 168 N SER A 11 -10.683 5.243 -2.574 1.00 0.00 N ATOM 169 CA SER A 11 -9.325 5.597 -2.963 1.00 0.00 C ATOM 170 C SER A 11 -9.313 6.841 -3.844 1.00 0.00 C ATOM 171 O SER A 11 -10.336 7.225 -4.411 1.00 0.00 O ATOM 172 CB SER A 11 -8.669 4.426 -3.697 1.00 0.00 C ATOM 173 OG SER A 11 -9.041 4.406 -5.064 1.00 0.00 O ATOM 0 H SER A 11 -11.374 5.338 -3.318 1.00 0.00 H new ATOM 0 HA SER A 11 -8.758 5.817 -2.059 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.585 4.502 -3.613 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.960 3.488 -3.224 1.00 0.00 H new ATOM 0 HG SER A 11 -9.006 3.486 -5.399 1.00 0.00 H new ATOM 179 N GLU A 12 -8.147 7.466 -3.951 1.00 0.00 N ATOM 180 CA GLU A 12 -7.991 8.668 -4.760 1.00 0.00 C ATOM 181 C GLU A 12 -6.677 8.630 -5.533 1.00 0.00 C ATOM 182 O GLU A 12 -5.617 8.380 -4.961 1.00 0.00 O ATOM 183 CB GLU A 12 -8.040 9.915 -3.876 1.00 0.00 C ATOM 184 CG GLU A 12 -9.442 10.473 -3.689 1.00 0.00 C ATOM 185 CD GLU A 12 -9.746 11.614 -4.640 1.00 0.00 C ATOM 186 OE1 GLU A 12 -9.872 11.357 -5.856 1.00 0.00 O ATOM 187 OE2 GLU A 12 -9.859 12.766 -4.169 1.00 0.00 O ATOM 0 H GLU A 12 -7.293 7.159 -3.486 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.814 8.707 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.620 9.675 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.406 10.686 -4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.170 9.676 -3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.557 10.820 -2.662 1.00 0.00 H new ATOM 194 N ASN A 13 -6.755 8.877 -6.837 1.00 0.00 N ATOM 195 CA ASN A 13 -5.578 8.869 -7.689 1.00 0.00 C ATOM 196 C ASN A 13 -4.885 7.509 -7.660 1.00 0.00 C ATOM 197 O ASN A 13 -3.728 7.373 -8.071 1.00 0.00 O ATOM 198 CB ASN A 13 -4.614 9.959 -7.244 1.00 0.00 C ATOM 199 CG ASN A 13 -4.701 11.201 -8.108 1.00 0.00 C ATOM 200 OD1 ASN A 13 -5.293 11.181 -9.187 1.00 0.00 O ATOM 201 ND2 ASN A 13 -4.108 12.292 -7.637 1.00 0.00 N ATOM 0 H ASN A 13 -7.626 9.086 -7.325 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.895 9.062 -8.714 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.825 10.226 -6.208 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.595 9.572 -7.272 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.132 13.158 -8.175 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.628 12.264 -6.737 1.00 0.00 H new ATOM 208 N TYR A 14 -5.591 6.490 -7.187 1.00 0.00 N ATOM 209 CA TYR A 14 -5.019 5.159 -7.134 1.00 0.00 C ATOM 210 C TYR A 14 -4.566 4.746 -8.529 1.00 0.00 C ATOM 211 O TYR A 14 -3.460 4.238 -8.711 1.00 0.00 O ATOM 212 CB TYR A 14 -6.029 4.160 -6.574 1.00 0.00 C ATOM 213 CG TYR A 14 -5.414 2.829 -6.212 1.00 0.00 C ATOM 214 CD1 TYR A 14 -4.958 1.964 -7.195 1.00 0.00 C ATOM 215 CD2 TYR A 14 -5.281 2.444 -4.886 1.00 0.00 C ATOM 216 CE1 TYR A 14 -4.387 0.749 -6.868 1.00 0.00 C ATOM 217 CE2 TYR A 14 -4.709 1.232 -4.548 1.00 0.00 C ATOM 218 CZ TYR A 14 -4.263 0.388 -5.544 1.00 0.00 C ATOM 219 OH TYR A 14 -3.692 -0.819 -5.213 1.00 0.00 O ATOM 0 H TYR A 14 -6.547 6.561 -6.840 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.156 5.167 -6.468 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.500 4.588 -5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.818 4.000 -7.309 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.051 2.245 -8.234 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.630 3.102 -4.104 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.040 0.086 -7.646 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.612 0.947 -3.511 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.310 -1.329 -4.648 1.00 0.00 H new ATOM 229 N ASP A 15 -5.419 5.008 -9.517 1.00 0.00 N ATOM 230 CA ASP A 15 -5.098 4.702 -10.907 1.00 0.00 C ATOM 231 C ASP A 15 -3.815 5.421 -11.306 1.00 0.00 C ATOM 232 O ASP A 15 -3.043 4.939 -12.134 1.00 0.00 O ATOM 233 CB ASP A 15 -6.241 5.137 -11.824 1.00 0.00 C ATOM 234 CG ASP A 15 -6.243 4.389 -13.144 1.00 0.00 C ATOM 235 OD1 ASP A 15 -5.537 3.363 -13.246 1.00 0.00 O ATOM 236 OD2 ASP A 15 -6.950 4.829 -14.074 1.00 0.00 O ATOM 0 H ASP A 15 -6.337 5.431 -9.380 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.958 3.626 -11.008 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.192 4.974 -11.316 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.161 6.207 -12.016 1.00 0.00 H new ATOM 241 N LYS A 16 -3.594 6.577 -10.689 1.00 0.00 N ATOM 242 CA LYS A 16 -2.407 7.380 -10.944 1.00 0.00 C ATOM 243 C LYS A 16 -1.155 6.538 -10.797 1.00 0.00 C ATOM 244 O LYS A 16 -0.223 6.637 -11.595 1.00 0.00 O ATOM 245 CB LYS A 16 -2.365 8.552 -9.959 1.00 0.00 C ATOM 246 CG LYS A 16 -1.719 9.809 -10.505 1.00 0.00 C ATOM 247 CD LYS A 16 -2.745 10.904 -10.715 1.00 0.00 C ATOM 248 CE LYS A 16 -2.315 11.874 -11.803 1.00 0.00 C ATOM 249 NZ LYS A 16 -3.364 12.892 -12.086 1.00 0.00 N ATOM 0 H LYS A 16 -4.230 6.981 -10.002 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.449 7.761 -11.964 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.384 8.787 -9.650 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.825 8.240 -9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.950 10.155 -9.815 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.223 9.586 -11.449 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.703 10.459 -10.982 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.895 11.447 -9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.396 12.375 -11.500 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.091 11.321 -12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.032 13.534 -12.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.234 12.416 -12.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.560 13.438 -11.223 1.00 0.00 H new ATOM 263 N PHE A 17 -1.138 5.717 -9.762 1.00 0.00 N ATOM 264 CA PHE A 17 0.007 4.862 -9.494 1.00 0.00 C ATOM 265 C PHE A 17 0.101 3.745 -10.526 1.00 0.00 C ATOM 266 O PHE A 17 1.192 3.287 -10.862 1.00 0.00 O ATOM 267 CB PHE A 17 -0.076 4.312 -8.065 1.00 0.00 C ATOM 268 CG PHE A 17 0.185 5.367 -7.034 1.00 0.00 C ATOM 269 CD1 PHE A 17 -0.255 6.662 -7.256 1.00 0.00 C ATOM 270 CD2 PHE A 17 0.883 5.087 -5.864 1.00 0.00 C ATOM 271 CE1 PHE A 17 -0.010 7.662 -6.352 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.128 6.090 -4.945 1.00 0.00 C ATOM 273 CZ PHE A 17 0.683 7.380 -5.191 1.00 0.00 C ATOM 0 H PHE A 17 -1.903 5.624 -9.093 1.00 0.00 H new ATOM 0 HA PHE A 17 0.920 5.452 -9.576 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.064 3.883 -7.900 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.646 3.504 -7.946 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.802 6.888 -8.160 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.234 4.084 -5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.357 8.666 -6.546 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.666 5.869 -4.035 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.878 8.164 -4.475 1.00 0.00 H new ATOM 283 N MET A 18 -1.046 3.323 -11.042 1.00 0.00 N ATOM 284 CA MET A 18 -1.090 2.280 -12.048 1.00 0.00 C ATOM 285 C MET A 18 -0.416 2.732 -13.341 1.00 0.00 C ATOM 286 O MET A 18 0.150 1.917 -14.070 1.00 0.00 O ATOM 287 CB MET A 18 -2.540 1.898 -12.333 1.00 0.00 C ATOM 288 CG MET A 18 -3.122 0.954 -11.303 1.00 0.00 C ATOM 289 SD MET A 18 -2.972 1.568 -9.616 1.00 0.00 S ATOM 290 CE MET A 18 -1.812 0.389 -8.928 1.00 0.00 C ATOM 0 H MET A 18 -1.959 3.691 -10.777 1.00 0.00 H new ATOM 0 HA MET A 18 -0.549 1.415 -11.664 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.147 2.803 -12.371 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.600 1.433 -13.317 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.175 0.784 -11.529 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.620 -0.010 -11.378 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.932 0.350 -7.845 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.003 -0.598 -9.350 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.794 0.696 -9.169 1.00 0.00 H new ATOM 300 N GLU A 19 -0.498 4.029 -13.638 1.00 0.00 N ATOM 301 CA GLU A 19 0.090 4.557 -14.866 1.00 0.00 C ATOM 302 C GLU A 19 1.558 4.953 -14.698 1.00 0.00 C ATOM 303 O GLU A 19 2.431 4.420 -15.384 1.00 0.00 O ATOM 304 CB GLU A 19 -0.716 5.760 -15.360 1.00 0.00 C ATOM 305 CG GLU A 19 -2.220 5.541 -15.322 1.00 0.00 C ATOM 306 CD GLU A 19 -2.667 4.401 -16.216 1.00 0.00 C ATOM 307 OE1 GLU A 19 -2.476 3.230 -15.825 1.00 0.00 O ATOM 308 OE2 GLU A 19 -3.208 4.679 -17.307 1.00 0.00 O ATOM 0 H GLU A 19 -0.960 4.725 -13.052 1.00 0.00 H new ATOM 0 HA GLU A 19 0.055 3.755 -15.603 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.468 6.628 -14.750 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.417 5.993 -16.382 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.528 5.336 -14.297 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.725 6.457 -15.629 1.00 0.00 H new ATOM 315 N LYS A 20 1.829 5.900 -13.803 1.00 0.00 N ATOM 316 CA LYS A 20 3.192 6.367 -13.578 1.00 0.00 C ATOM 317 C LYS A 20 4.109 5.223 -13.159 1.00 0.00 C ATOM 318 O LYS A 20 5.267 5.163 -13.573 1.00 0.00 O ATOM 319 CB LYS A 20 3.199 7.469 -12.523 1.00 0.00 C ATOM 320 CG LYS A 20 4.558 8.121 -12.328 1.00 0.00 C ATOM 321 CD LYS A 20 4.640 9.498 -12.974 1.00 0.00 C ATOM 322 CE LYS A 20 6.064 9.826 -13.387 1.00 0.00 C ATOM 323 NZ LYS A 20 6.380 9.317 -14.750 1.00 0.00 N ATOM 0 H LYS A 20 1.124 6.357 -13.224 1.00 0.00 H new ATOM 0 HA LYS A 20 3.572 6.770 -14.517 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.476 8.234 -12.805 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.867 7.052 -11.573 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.765 8.210 -11.262 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.330 7.478 -12.750 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.988 9.533 -13.847 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.278 10.253 -12.276 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.210 10.906 -13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.759 9.393 -12.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.361 9.562 -14.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.266 8.283 -14.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.734 9.750 -15.441 1.00 0.00 H new ATOM 337 N MET A 21 3.587 4.312 -12.345 1.00 0.00 N ATOM 338 CA MET A 21 4.368 3.169 -11.887 1.00 0.00 C ATOM 339 C MET A 21 4.217 1.987 -12.841 1.00 0.00 C ATOM 340 O MET A 21 5.019 1.053 -12.817 1.00 0.00 O ATOM 341 CB MET A 21 3.942 2.749 -10.478 1.00 0.00 C ATOM 342 CG MET A 21 3.660 3.918 -9.547 1.00 0.00 C ATOM 343 SD MET A 21 3.334 3.398 -7.849 1.00 0.00 S ATOM 344 CE MET A 21 2.476 1.847 -8.112 1.00 0.00 C ATOM 0 H MET A 21 2.631 4.342 -11.990 1.00 0.00 H new ATOM 0 HA MET A 21 5.415 3.473 -11.866 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.048 2.129 -10.549 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.726 2.130 -10.041 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.512 4.598 -9.557 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.802 4.476 -9.922 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.149 1.445 -7.153 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.608 2.015 -8.750 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.148 1.137 -8.593 1.00 0.00 H new ATOM 354 N GLY A 22 3.182 2.028 -13.676 1.00 0.00 N ATOM 355 CA GLY A 22 2.948 0.949 -14.616 1.00 0.00 C ATOM 356 C GLY A 22 2.463 -0.308 -13.925 1.00 0.00 C ATOM 357 O GLY A 22 3.002 -1.394 -14.143 1.00 0.00 O ATOM 0 H GLY A 22 2.503 2.788 -13.717 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.211 1.265 -15.354 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.869 0.733 -15.157 1.00 0.00 H new ATOM 361 N VAL A 23 1.443 -0.159 -13.086 1.00 0.00 N ATOM 362 CA VAL A 23 0.884 -1.292 -12.354 1.00 0.00 C ATOM 363 C VAL A 23 -0.188 -1.993 -13.179 1.00 0.00 C ATOM 364 O VAL A 23 -1.138 -1.363 -13.643 1.00 0.00 O ATOM 365 CB VAL A 23 0.281 -0.853 -11.002 1.00 0.00 C ATOM 366 CG1 VAL A 23 0.024 -2.057 -10.108 1.00 0.00 C ATOM 367 CG2 VAL A 23 1.194 0.149 -10.307 1.00 0.00 C ATOM 0 H VAL A 23 0.987 0.733 -12.896 1.00 0.00 H new ATOM 0 HA VAL A 23 1.704 -1.984 -12.161 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.675 -0.367 -11.198 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.401 -1.723 -9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.674 -2.733 -10.601 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.963 -2.578 -9.921 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.751 0.446 -9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.167 -0.309 -10.127 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.318 1.028 -10.940 1.00 0.00 H new ATOM 377 N ASN A 24 -0.026 -3.300 -13.365 1.00 0.00 N ATOM 378 CA ASN A 24 -0.978 -4.084 -14.144 1.00 0.00 C ATOM 379 C ASN A 24 -2.409 -3.835 -13.680 1.00 0.00 C ATOM 380 O ASN A 24 -2.649 -3.430 -12.542 1.00 0.00 O ATOM 381 CB ASN A 24 -0.640 -5.577 -14.056 1.00 0.00 C ATOM 382 CG ASN A 24 -1.795 -6.473 -14.467 1.00 0.00 C ATOM 383 OD1 ASN A 24 -2.414 -7.129 -13.630 1.00 0.00 O ATOM 384 ND2 ASN A 24 -2.087 -6.505 -15.762 1.00 0.00 N ATOM 0 H ASN A 24 0.754 -3.837 -12.987 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.902 -3.767 -15.184 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.220 -5.787 -14.692 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.347 -5.818 -13.034 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.852 -7.090 -16.098 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.547 -5.944 -16.421 1.00 0.00 H new ATOM 391 N ILE A 25 -3.352 -4.082 -14.577 1.00 0.00 N ATOM 392 CA ILE A 25 -4.763 -3.887 -14.277 1.00 0.00 C ATOM 393 C ILE A 25 -5.378 -5.144 -13.673 1.00 0.00 C ATOM 394 O ILE A 25 -6.181 -5.067 -12.746 1.00 0.00 O ATOM 395 CB ILE A 25 -5.556 -3.490 -15.540 1.00 0.00 C ATOM 396 CG1 ILE A 25 -7.006 -3.164 -15.180 1.00 0.00 C ATOM 397 CG2 ILE A 25 -5.499 -4.601 -16.579 1.00 0.00 C ATOM 398 CD1 ILE A 25 -7.708 -2.309 -16.213 1.00 0.00 C ATOM 0 H ILE A 25 -3.165 -4.419 -15.521 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.823 -3.076 -13.551 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.099 -2.598 -15.968 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.559 -4.095 -15.054 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.026 -2.649 -14.219 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.064 -4.303 -17.462 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.461 -4.786 -16.857 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.931 -5.511 -16.163 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.732 -2.118 -15.892 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.179 -1.362 -16.322 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.720 -2.831 -17.170 1.00 0.00 H new ATOM 410 N VAL A 26 -4.996 -6.300 -14.205 1.00 0.00 N ATOM 411 CA VAL A 26 -5.513 -7.576 -13.718 1.00 0.00 C ATOM 412 C VAL A 26 -5.334 -7.704 -12.209 1.00 0.00 C ATOM 413 O VAL A 26 -6.248 -8.123 -11.500 1.00 0.00 O ATOM 414 CB VAL A 26 -4.828 -8.770 -14.411 1.00 0.00 C ATOM 415 CG1 VAL A 26 -5.510 -10.072 -14.020 1.00 0.00 C ATOM 416 CG2 VAL A 26 -4.833 -8.591 -15.923 1.00 0.00 C ATOM 0 H VAL A 26 -4.330 -6.381 -14.974 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.576 -7.593 -13.958 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.790 -8.812 -14.080 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.015 -10.906 -14.518 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.448 -10.205 -12.940 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.557 -10.039 -14.322 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.345 -9.445 -16.392 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.861 -8.521 -16.278 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.297 -7.678 -16.183 1.00 0.00 H new ATOM 426 N LYS A 27 -4.157 -7.327 -11.723 1.00 0.00 N ATOM 427 CA LYS A 27 -3.870 -7.386 -10.296 1.00 0.00 C ATOM 428 C LYS A 27 -4.501 -6.193 -9.589 1.00 0.00 C ATOM 429 O LYS A 27 -4.922 -6.285 -8.436 1.00 0.00 O ATOM 430 CB LYS A 27 -2.359 -7.402 -10.054 1.00 0.00 C ATOM 431 CG LYS A 27 -1.978 -7.564 -8.591 1.00 0.00 C ATOM 432 CD LYS A 27 -1.231 -6.348 -8.068 1.00 0.00 C ATOM 433 CE LYS A 27 -2.167 -5.378 -7.365 1.00 0.00 C ATOM 434 NZ LYS A 27 -1.502 -4.694 -6.222 1.00 0.00 N ATOM 0 H LYS A 27 -3.388 -6.978 -12.295 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.295 -8.305 -9.892 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.916 -8.216 -10.628 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.929 -6.474 -10.432 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.877 -7.723 -7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.357 -8.452 -8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.451 -6.668 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.735 -5.841 -8.896 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.520 -4.633 -8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.044 -5.916 -7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.893 -5.053 -5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.479 -4.881 -6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.668 -3.669 -6.286 1.00 0.00 H new ATOM 448 N ARG A 28 -4.566 -5.074 -10.302 1.00 0.00 N ATOM 449 CA ARG A 28 -5.149 -3.850 -9.772 1.00 0.00 C ATOM 450 C ARG A 28 -6.673 -3.948 -9.692 1.00 0.00 C ATOM 451 O ARG A 28 -7.311 -3.198 -8.958 1.00 0.00 O ATOM 452 CB ARG A 28 -4.747 -2.664 -10.642 1.00 0.00 C ATOM 453 CG ARG A 28 -5.201 -1.345 -10.077 1.00 0.00 C ATOM 454 CD ARG A 28 -6.452 -0.859 -10.760 1.00 0.00 C ATOM 455 NE ARG A 28 -6.175 -0.246 -12.057 1.00 0.00 N ATOM 456 CZ ARG A 28 -7.001 0.599 -12.669 1.00 0.00 C ATOM 457 NH1 ARG A 28 -8.156 0.935 -12.107 1.00 0.00 N ATOM 458 NH2 ARG A 28 -6.672 1.110 -13.848 1.00 0.00 N ATOM 0 H ARG A 28 -4.218 -4.991 -11.257 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.768 -3.704 -8.761 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.663 -2.652 -10.754 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.169 -2.791 -11.639 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.385 -1.449 -9.008 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.409 -0.605 -10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.137 -1.696 -10.895 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.955 -0.135 -10.119 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.297 -0.479 -12.521 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.415 0.545 -11.201 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.785 1.583 -12.581 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.786 0.855 -14.285 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.305 1.758 -14.318 1.00 0.00 H new ATOM 472 N LYS A 29 -7.251 -4.873 -10.457 1.00 0.00 N ATOM 473 CA LYS A 29 -8.699 -5.073 -10.485 1.00 0.00 C ATOM 474 C LYS A 29 -9.311 -5.008 -9.087 1.00 0.00 C ATOM 475 O LYS A 29 -10.216 -4.215 -8.832 1.00 0.00 O ATOM 476 CB LYS A 29 -9.020 -6.424 -11.126 1.00 0.00 C ATOM 477 CG LYS A 29 -9.909 -6.325 -12.353 1.00 0.00 C ATOM 478 CD LYS A 29 -9.251 -5.519 -13.460 1.00 0.00 C ATOM 479 CE LYS A 29 -9.568 -6.092 -14.832 1.00 0.00 C ATOM 480 NZ LYS A 29 -9.305 -7.557 -14.897 1.00 0.00 N ATOM 0 H LYS A 29 -6.733 -5.501 -11.071 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.134 -4.267 -11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.087 -6.915 -11.404 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.507 -7.060 -10.387 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.138 -7.326 -12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.857 -5.861 -12.079 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.591 -4.485 -13.409 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.171 -5.507 -13.310 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.614 -5.900 -15.073 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.968 -5.582 -15.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.798 -7.780 -15.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.726 -7.842 -14.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.208 -8.073 -14.877 1.00 0.00 H new ATOM 494 N LEU A 30 -8.816 -5.853 -8.189 1.00 0.00 N ATOM 495 CA LEU A 30 -9.322 -5.895 -6.823 1.00 0.00 C ATOM 496 C LEU A 30 -8.427 -5.094 -5.882 1.00 0.00 C ATOM 497 O LEU A 30 -8.858 -4.667 -4.812 1.00 0.00 O ATOM 498 CB LEU A 30 -9.425 -7.345 -6.349 1.00 0.00 C ATOM 499 CG LEU A 30 -9.957 -8.327 -7.396 1.00 0.00 C ATOM 500 CD1 LEU A 30 -10.052 -9.729 -6.818 1.00 0.00 C ATOM 501 CD2 LEU A 30 -11.312 -7.868 -7.914 1.00 0.00 C ATOM 0 H LEU A 30 -8.066 -6.517 -8.383 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.314 -5.443 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.438 -7.678 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.074 -7.381 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.258 -8.351 -8.232 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.432 -10.411 -7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.064 -10.058 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.728 -9.725 -5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.676 -8.577 -8.658 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.019 -7.815 -7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.213 -6.883 -8.370 1.00 0.00 H new ATOM 513 N ALA A 31 -7.179 -4.894 -6.289 1.00 0.00 N ATOM 514 CA ALA A 31 -6.223 -4.144 -5.485 1.00 0.00 C ATOM 515 C ALA A 31 -6.441 -2.638 -5.613 1.00 0.00 C ATOM 516 O ALA A 31 -5.904 -1.861 -4.824 1.00 0.00 O ATOM 517 CB ALA A 31 -4.802 -4.507 -5.887 1.00 0.00 C ATOM 0 H ALA A 31 -6.806 -5.241 -7.172 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.380 -4.414 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.096 -3.941 -5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.641 -5.574 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.649 -4.267 -6.939 1.00 0.00 H new ATOM 523 N ALA A 32 -7.213 -2.224 -6.617 1.00 0.00 N ATOM 524 CA ALA A 32 -7.467 -0.804 -6.841 1.00 0.00 C ATOM 525 C ALA A 32 -8.050 -0.125 -5.606 1.00 0.00 C ATOM 526 O ALA A 32 -7.576 0.935 -5.202 1.00 0.00 O ATOM 527 CB ALA A 32 -8.401 -0.610 -8.023 1.00 0.00 C ATOM 0 H ALA A 32 -7.670 -2.847 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.506 -0.337 -7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.579 0.455 -8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.947 -1.034 -8.919 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -9.348 -1.112 -7.824 1.00 0.00 H new ATOM 533 N HIS A 33 -9.075 -0.737 -5.008 1.00 0.00 N ATOM 534 CA HIS A 33 -9.715 -0.177 -3.814 1.00 0.00 C ATOM 535 C HIS A 33 -11.059 -0.843 -3.534 1.00 0.00 C ATOM 536 O HIS A 33 -11.417 -1.080 -2.380 1.00 0.00 O ATOM 537 CB HIS A 33 -9.930 1.331 -3.970 1.00 0.00 C ATOM 538 CG HIS A 33 -10.630 1.707 -5.238 1.00 0.00 C ATOM 539 ND1 HIS A 33 -10.001 2.342 -6.288 1.00 0.00 N ATOM 540 CD2 HIS A 33 -11.916 1.533 -5.621 1.00 0.00 C ATOM 541 CE1 HIS A 33 -10.871 2.543 -7.262 1.00 0.00 C ATOM 542 NE2 HIS A 33 -12.040 2.061 -6.883 1.00 0.00 N ATOM 0 H HIS A 33 -9.479 -1.617 -5.329 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.046 -0.367 -2.975 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -10.510 1.697 -3.122 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.963 1.833 -3.936 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.699 1.066 -5.042 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.661 3.021 -8.208 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -12.896 2.078 -7.437 1.00 0.00 H new ATOM 551 N ASP A 34 -11.809 -1.123 -4.595 1.00 0.00 N ATOM 552 CA ASP A 34 -13.126 -1.739 -4.466 1.00 0.00 C ATOM 553 C ASP A 34 -13.071 -3.036 -3.664 1.00 0.00 C ATOM 554 O ASP A 34 -13.747 -3.173 -2.645 1.00 0.00 O ATOM 555 CB ASP A 34 -13.733 -2.004 -5.848 1.00 0.00 C ATOM 556 CG ASP A 34 -12.727 -2.564 -6.835 1.00 0.00 C ATOM 557 OD1 ASP A 34 -11.622 -2.955 -6.403 1.00 0.00 O ATOM 558 OD2 ASP A 34 -13.044 -2.610 -8.043 1.00 0.00 O ATOM 0 H ASP A 34 -11.527 -0.933 -5.556 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.759 -1.037 -3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.563 -2.703 -5.747 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.144 -1.075 -6.243 1.00 0.00 H new ATOM 563 N ASN A 35 -12.270 -3.988 -4.129 1.00 0.00 N ATOM 564 CA ASN A 35 -12.142 -5.267 -3.452 1.00 0.00 C ATOM 565 C ASN A 35 -10.705 -5.508 -3.006 1.00 0.00 C ATOM 566 O ASN A 35 -10.046 -6.438 -3.469 1.00 0.00 O ATOM 567 CB ASN A 35 -12.609 -6.406 -4.363 1.00 0.00 C ATOM 568 CG ASN A 35 -13.915 -6.089 -5.065 1.00 0.00 C ATOM 569 OD1 ASN A 35 -13.927 -5.482 -6.136 1.00 0.00 O ATOM 570 ND2 ASN A 35 -15.025 -6.499 -4.462 1.00 0.00 N ATOM 0 H ASN A 35 -11.702 -3.896 -4.971 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.776 -5.242 -2.566 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.840 -6.610 -5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.729 -7.314 -3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.934 -6.314 -4.886 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.969 -6.999 -3.575 1.00 0.00 H new ATOM 577 N LEU A 36 -10.224 -4.662 -2.103 1.00 0.00 N ATOM 578 CA LEU A 36 -8.865 -4.783 -1.595 1.00 0.00 C ATOM 579 C LEU A 36 -8.861 -4.975 -0.083 1.00 0.00 C ATOM 580 O LEU A 36 -9.453 -4.189 0.657 1.00 0.00 O ATOM 581 CB LEU A 36 -8.044 -3.546 -1.970 1.00 0.00 C ATOM 582 CG LEU A 36 -6.557 -3.607 -1.604 1.00 0.00 C ATOM 583 CD1 LEU A 36 -6.362 -3.359 -0.116 1.00 0.00 C ATOM 584 CD2 LEU A 36 -5.958 -4.948 -2.006 1.00 0.00 C ATOM 0 H LEU A 36 -10.755 -3.886 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.411 -5.662 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.130 -3.386 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.485 -2.677 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.038 -2.822 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.300 -3.406 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.749 -2.373 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.897 -4.119 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.902 -4.970 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.481 -5.751 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.061 -5.085 -3.082 1.00 0.00 H new ATOM 596 N LYS A 37 -8.180 -6.021 0.366 1.00 0.00 N ATOM 597 CA LYS A 37 -8.079 -6.324 1.785 1.00 0.00 C ATOM 598 C LYS A 37 -6.636 -6.198 2.238 1.00 0.00 C ATOM 599 O LYS A 37 -5.750 -6.887 1.738 1.00 0.00 O ATOM 600 CB LYS A 37 -8.607 -7.731 2.071 1.00 0.00 C ATOM 601 CG LYS A 37 -8.233 -8.268 3.446 1.00 0.00 C ATOM 602 CD LYS A 37 -8.889 -7.461 4.554 1.00 0.00 C ATOM 603 CE LYS A 37 -10.191 -8.103 5.006 1.00 0.00 C ATOM 604 NZ LYS A 37 -11.139 -7.107 5.578 1.00 0.00 N ATOM 0 H LYS A 37 -7.686 -6.678 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.687 -5.611 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.693 -7.726 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.225 -8.412 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.537 -9.312 3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.150 -8.241 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.207 -7.380 5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.083 -6.447 4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.660 -8.604 4.160 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.977 -8.869 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.525 -7.470 6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.638 -6.213 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.916 -6.942 4.907 1.00 0.00 H new ATOM 618 N LEU A 38 -6.414 -5.307 3.183 1.00 0.00 N ATOM 619 CA LEU A 38 -5.088 -5.069 3.718 1.00 0.00 C ATOM 620 C LEU A 38 -5.035 -5.541 5.169 1.00 0.00 C ATOM 621 O LEU A 38 -5.690 -4.974 6.031 1.00 0.00 O ATOM 622 CB LEU A 38 -4.774 -3.570 3.600 1.00 0.00 C ATOM 623 CG LEU A 38 -3.294 -3.189 3.401 1.00 0.00 C ATOM 624 CD1 LEU A 38 -2.586 -4.167 2.471 1.00 0.00 C ATOM 625 CD2 LEU A 38 -3.172 -1.770 2.852 1.00 0.00 C ATOM 0 H LEU A 38 -7.144 -4.730 3.600 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.338 -5.627 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.345 -3.167 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.135 -3.074 4.501 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.811 -3.236 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.544 -3.868 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.630 -5.170 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.077 -4.164 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.119 -1.521 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.684 -1.706 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.625 -1.069 3.553 1.00 0.00 H new ATOM 637 N THR A 39 -4.280 -6.601 5.432 1.00 0.00 N ATOM 638 CA THR A 39 -4.189 -7.144 6.786 1.00 0.00 C ATOM 639 C THR A 39 -2.907 -6.701 7.481 1.00 0.00 C ATOM 640 O THR A 39 -1.860 -6.563 6.849 1.00 0.00 O ATOM 641 CB THR A 39 -4.266 -8.671 6.757 1.00 0.00 C ATOM 642 OG1 THR A 39 -5.446 -9.101 6.101 1.00 0.00 O ATOM 643 CG2 THR A 39 -4.254 -9.297 8.135 1.00 0.00 C ATOM 0 H THR A 39 -3.726 -7.099 4.735 1.00 0.00 H new ATOM 0 HA THR A 39 -5.034 -6.754 7.353 1.00 0.00 H new ATOM 0 HB THR A 39 -3.374 -8.995 6.220 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.207 -9.596 5.289 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.311 -10.382 8.042 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.333 -9.025 8.650 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.109 -8.936 8.706 1.00 0.00 H new ATOM 651 N ILE A 40 -3.003 -6.480 8.789 1.00 0.00 N ATOM 652 CA ILE A 40 -1.858 -6.051 9.583 1.00 0.00 C ATOM 653 C ILE A 40 -1.580 -7.027 10.723 1.00 0.00 C ATOM 654 O ILE A 40 -2.457 -7.318 11.535 1.00 0.00 O ATOM 655 CB ILE A 40 -2.080 -4.641 10.171 1.00 0.00 C ATOM 656 CG1 ILE A 40 -2.345 -3.631 9.053 1.00 0.00 C ATOM 657 CG2 ILE A 40 -0.877 -4.210 11.000 1.00 0.00 C ATOM 658 CD1 ILE A 40 -2.765 -2.268 9.559 1.00 0.00 C ATOM 0 H ILE A 40 -3.865 -6.592 9.322 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.999 -6.028 8.912 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.953 -4.675 10.823 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.444 -3.524 8.449 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.123 -4.022 8.397 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.053 -3.214 11.406 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.728 -4.914 11.819 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.012 -4.193 10.370 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.936 -1.603 8.713 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.684 -2.362 10.138 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.978 -1.856 10.191 1.00 0.00 H new ATOM 670 N THR A 41 -0.347 -7.520 10.778 1.00 0.00 N ATOM 671 CA THR A 41 0.062 -8.454 11.820 1.00 0.00 C ATOM 672 C THR A 41 1.419 -8.049 12.386 1.00 0.00 C ATOM 673 O THR A 41 2.418 -8.746 12.201 1.00 0.00 O ATOM 674 CB THR A 41 0.123 -9.879 11.267 1.00 0.00 C ATOM 675 OG1 THR A 41 -0.683 -10.002 10.108 1.00 0.00 O ATOM 676 CG2 THR A 41 -0.337 -10.926 12.258 1.00 0.00 C ATOM 0 H THR A 41 0.388 -7.287 10.111 1.00 0.00 H new ATOM 0 HA THR A 41 -0.676 -8.425 12.622 1.00 0.00 H new ATOM 0 HB THR A 41 1.174 -10.055 11.038 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.630 -10.920 9.768 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.268 -11.914 11.802 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.296 -10.891 13.145 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.371 -10.729 12.542 1.00 0.00 H new ATOM 684 N GLN A 42 1.449 -6.907 13.065 1.00 0.00 N ATOM 685 CA GLN A 42 2.682 -6.390 13.649 1.00 0.00 C ATOM 686 C GLN A 42 3.387 -7.439 14.502 1.00 0.00 C ATOM 687 O GLN A 42 2.840 -7.928 15.491 1.00 0.00 O ATOM 688 CB GLN A 42 2.392 -5.145 14.490 1.00 0.00 C ATOM 689 CG GLN A 42 1.534 -4.114 13.775 1.00 0.00 C ATOM 690 CD GLN A 42 1.540 -2.768 14.472 1.00 0.00 C ATOM 691 OE1 GLN A 42 1.601 -1.697 13.690 1.00 0.00 O flip ATOM 692 NE2 GLN A 42 1.490 -2.691 15.700 1.00 0.00 N flip ATOM 0 H GLN A 42 0.630 -6.320 13.225 1.00 0.00 H new ATOM 0 HA GLN A 42 3.346 -6.125 12.826 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.892 -5.447 15.410 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.336 -4.683 14.778 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.894 -3.992 12.754 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.510 -4.481 13.710 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.444 -3.540 16.263 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.495 -1.778 16.154 1.00 0.00 H new ATOM 701 N GLU A 43 4.612 -7.769 14.111 1.00 0.00 N ATOM 702 CA GLU A 43 5.419 -8.747 14.828 1.00 0.00 C ATOM 703 C GLU A 43 6.805 -8.176 15.108 1.00 0.00 C ATOM 704 O GLU A 43 7.661 -8.140 14.225 1.00 0.00 O ATOM 705 CB GLU A 43 5.540 -10.037 14.017 1.00 0.00 C ATOM 706 CG GLU A 43 4.911 -11.244 14.692 1.00 0.00 C ATOM 707 CD GLU A 43 5.415 -11.450 16.107 1.00 0.00 C ATOM 708 OE1 GLU A 43 4.840 -10.845 17.036 1.00 0.00 O ATOM 709 OE2 GLU A 43 6.385 -12.216 16.286 1.00 0.00 O ATOM 0 H GLU A 43 5.071 -7.369 13.293 1.00 0.00 H new ATOM 0 HA GLU A 43 4.929 -8.975 15.775 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.070 -9.890 13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.595 -10.243 13.834 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.828 -11.122 14.710 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.121 -12.136 14.102 1.00 0.00 H new ATOM 716 N GLY A 44 7.016 -7.719 16.335 1.00 0.00 N ATOM 717 CA GLY A 44 8.297 -7.142 16.695 1.00 0.00 C ATOM 718 C GLY A 44 8.620 -5.922 15.851 1.00 0.00 C ATOM 719 O GLY A 44 7.792 -5.021 15.725 1.00 0.00 O ATOM 0 H GLY A 44 6.326 -7.737 17.086 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.287 -6.863 17.749 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.081 -7.889 16.570 1.00 0.00 H new ATOM 723 N ASN A 45 9.811 -5.890 15.254 1.00 0.00 N ATOM 724 CA ASN A 45 10.196 -4.766 14.408 1.00 0.00 C ATOM 725 C ASN A 45 9.758 -5.003 12.967 1.00 0.00 C ATOM 726 O ASN A 45 10.219 -4.324 12.050 1.00 0.00 O ATOM 727 CB ASN A 45 11.708 -4.543 14.458 1.00 0.00 C ATOM 728 CG ASN A 45 12.495 -5.834 14.340 1.00 0.00 C ATOM 729 OD1 ASN A 45 12.998 -6.361 15.333 1.00 0.00 O ATOM 730 ND2 ASN A 45 12.606 -6.350 13.122 1.00 0.00 N ATOM 0 H ASN A 45 10.517 -6.621 15.340 1.00 0.00 H new ATOM 0 HA ASN A 45 9.696 -3.875 14.788 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.999 -3.870 13.651 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.967 -4.049 15.394 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.124 -7.217 12.981 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.173 -5.879 12.327 1.00 0.00 H new ATOM 737 N LYS A 46 8.867 -5.972 12.772 1.00 0.00 N ATOM 738 CA LYS A 46 8.376 -6.292 11.439 1.00 0.00 C ATOM 739 C LYS A 46 6.872 -6.549 11.451 1.00 0.00 C ATOM 740 O LYS A 46 6.353 -7.213 12.346 1.00 0.00 O ATOM 741 CB LYS A 46 9.128 -7.507 10.876 1.00 0.00 C ATOM 742 CG LYS A 46 8.354 -8.815 10.954 1.00 0.00 C ATOM 743 CD LYS A 46 7.419 -8.994 9.772 1.00 0.00 C ATOM 744 CE LYS A 46 7.734 -10.272 9.016 1.00 0.00 C ATOM 745 NZ LYS A 46 7.487 -11.484 9.845 1.00 0.00 N ATOM 0 H LYS A 46 8.473 -6.546 13.518 1.00 0.00 H new ATOM 0 HA LYS A 46 8.560 -5.434 10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.383 -7.311 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.067 -7.621 11.418 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.055 -9.649 10.991 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.778 -8.841 11.879 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.387 -9.019 10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.508 -8.139 9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.125 -10.319 8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.776 -10.257 8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.449 -12.323 9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.257 -11.595 10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.583 -11.382 10.348 1.00 0.00 H new ATOM 759 N PHE A 47 6.178 -6.019 10.450 1.00 0.00 N ATOM 760 CA PHE A 47 4.734 -6.193 10.344 1.00 0.00 C ATOM 761 C PHE A 47 4.378 -7.066 9.145 1.00 0.00 C ATOM 762 O PHE A 47 4.865 -6.845 8.043 1.00 0.00 O ATOM 763 CB PHE A 47 4.045 -4.836 10.199 1.00 0.00 C ATOM 764 CG PHE A 47 4.289 -3.871 11.334 1.00 0.00 C ATOM 765 CD1 PHE A 47 4.934 -4.269 12.498 1.00 0.00 C ATOM 766 CD2 PHE A 47 3.864 -2.557 11.232 1.00 0.00 C ATOM 767 CE1 PHE A 47 5.149 -3.376 13.530 1.00 0.00 C ATOM 768 CE2 PHE A 47 4.075 -1.661 12.262 1.00 0.00 C ATOM 769 CZ PHE A 47 4.719 -2.070 13.412 1.00 0.00 C ATOM 0 H PHE A 47 6.592 -5.465 9.700 1.00 0.00 H new ATOM 0 HA PHE A 47 4.389 -6.683 11.255 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.379 -4.373 9.271 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.971 -4.999 10.105 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.272 -5.290 12.598 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.361 -2.228 10.335 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.653 -3.700 14.428 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.736 -0.640 12.167 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.886 -1.370 14.217 1.00 0.00 H new ATOM 779 N THR A 48 3.512 -8.046 9.361 1.00 0.00 N ATOM 780 CA THR A 48 3.085 -8.940 8.287 1.00 0.00 C ATOM 781 C THR A 48 1.855 -8.381 7.580 1.00 0.00 C ATOM 782 O THR A 48 0.936 -7.877 8.227 1.00 0.00 O ATOM 783 CB THR A 48 2.768 -10.326 8.848 1.00 0.00 C ATOM 784 OG1 THR A 48 3.532 -10.583 10.012 1.00 0.00 O ATOM 785 CG2 THR A 48 3.033 -11.446 7.866 1.00 0.00 C ATOM 0 H THR A 48 3.090 -8.244 10.268 1.00 0.00 H new ATOM 0 HA THR A 48 3.899 -9.021 7.567 1.00 0.00 H new ATOM 0 HB THR A 48 1.701 -10.309 9.072 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.313 -11.474 10.357 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.787 -12.402 8.329 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.418 -11.304 6.977 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.086 -11.440 7.583 1.00 0.00 H new ATOM 793 N VAL A 49 1.836 -8.471 6.253 1.00 0.00 N ATOM 794 CA VAL A 49 0.707 -7.968 5.479 1.00 0.00 C ATOM 795 C VAL A 49 0.043 -9.077 4.675 1.00 0.00 C ATOM 796 O VAL A 49 0.618 -9.599 3.721 1.00 0.00 O ATOM 797 CB VAL A 49 1.133 -6.848 4.513 1.00 0.00 C ATOM 798 CG1 VAL A 49 -0.088 -6.190 3.888 1.00 0.00 C ATOM 799 CG2 VAL A 49 1.993 -5.820 5.230 1.00 0.00 C ATOM 0 H VAL A 49 2.584 -8.884 5.696 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.004 -7.568 6.202 1.00 0.00 H new ATOM 0 HB VAL A 49 1.729 -7.290 3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.232 -5.401 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.660 -6.935 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.712 -5.762 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.284 -5.037 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.426 -5.381 6.051 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.886 -6.304 5.624 1.00 0.00 H new ATOM 809 N LYS A 50 -1.180 -9.420 5.058 1.00 0.00 N ATOM 810 CA LYS A 50 -1.935 -10.454 4.367 1.00 0.00 C ATOM 811 C LYS A 50 -3.054 -9.825 3.545 1.00 0.00 C ATOM 812 O LYS A 50 -4.004 -9.272 4.096 1.00 0.00 O ATOM 813 CB LYS A 50 -2.518 -11.451 5.370 1.00 0.00 C ATOM 814 CG LYS A 50 -3.186 -12.646 4.716 1.00 0.00 C ATOM 815 CD LYS A 50 -2.163 -13.619 4.153 1.00 0.00 C ATOM 816 CE LYS A 50 -2.825 -14.883 3.630 1.00 0.00 C ATOM 817 NZ LYS A 50 -2.967 -15.917 4.693 1.00 0.00 N ATOM 0 H LYS A 50 -1.670 -8.995 5.845 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.260 -10.988 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.721 -11.803 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.245 -10.938 6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.813 -13.158 5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.843 -12.304 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.607 -13.138 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.442 -13.879 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.808 -14.638 3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.236 -15.287 2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.423 -16.763 4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.027 -16.170 5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.550 -15.541 5.467 1.00 0.00 H new ATOM 831 N GLU A 51 -2.932 -9.901 2.225 1.00 0.00 N ATOM 832 CA GLU A 51 -3.936 -9.322 1.343 1.00 0.00 C ATOM 833 C GLU A 51 -4.936 -10.371 0.876 1.00 0.00 C ATOM 834 O GLU A 51 -4.560 -11.469 0.466 1.00 0.00 O ATOM 835 CB GLU A 51 -3.272 -8.661 0.135 1.00 0.00 C ATOM 836 CG GLU A 51 -2.027 -7.862 0.484 1.00 0.00 C ATOM 837 CD GLU A 51 -1.839 -6.653 -0.412 1.00 0.00 C ATOM 838 OE1 GLU A 51 -2.854 -6.117 -0.905 1.00 0.00 O ATOM 839 OE2 GLU A 51 -0.678 -6.243 -0.621 1.00 0.00 O ATOM 0 H GLU A 51 -2.154 -10.354 1.746 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.476 -8.565 1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.008 -9.431 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.992 -8.002 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.089 -7.534 1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.152 -8.507 0.406 1.00 0.00 H new ATOM 846 N SER A 52 -6.214 -10.016 0.937 1.00 0.00 N ATOM 847 CA SER A 52 -7.282 -10.913 0.518 1.00 0.00 C ATOM 848 C SER A 52 -8.028 -10.336 -0.680 1.00 0.00 C ATOM 849 O SER A 52 -8.278 -9.131 -0.749 1.00 0.00 O ATOM 850 CB SER A 52 -8.256 -11.156 1.672 1.00 0.00 C ATOM 851 OG SER A 52 -8.994 -12.350 1.474 1.00 0.00 O ATOM 0 H SER A 52 -6.536 -9.109 1.274 1.00 0.00 H new ATOM 0 HA SER A 52 -6.835 -11.863 0.226 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.705 -11.217 2.610 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.940 -10.312 1.758 1.00 0.00 H new ATOM 0 HG SER A 52 -9.608 -12.484 2.226 1.00 0.00 H new ATOM 857 N SER A 53 -8.378 -11.201 -1.624 1.00 0.00 N ATOM 858 CA SER A 53 -9.094 -10.778 -2.821 1.00 0.00 C ATOM 859 C SER A 53 -9.999 -11.894 -3.333 1.00 0.00 C ATOM 860 O SER A 53 -9.942 -13.024 -2.849 1.00 0.00 O ATOM 861 CB SER A 53 -8.102 -10.362 -3.910 1.00 0.00 C ATOM 862 OG SER A 53 -8.249 -8.990 -4.236 1.00 0.00 O ATOM 0 H SER A 53 -8.177 -12.200 -1.584 1.00 0.00 H new ATOM 0 HA SER A 53 -9.717 -9.922 -2.563 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.084 -10.551 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.259 -10.970 -4.801 1.00 0.00 H new ATOM 0 HG SER A 53 -7.379 -8.620 -4.494 1.00 0.00 H new ATOM 868 N ALA A 54 -10.833 -11.570 -4.316 1.00 0.00 N ATOM 869 CA ALA A 54 -11.750 -12.546 -4.895 1.00 0.00 C ATOM 870 C ALA A 54 -11.014 -13.815 -5.316 1.00 0.00 C ATOM 871 O ALA A 54 -11.181 -14.872 -4.706 1.00 0.00 O ATOM 872 CB ALA A 54 -12.483 -11.941 -6.083 1.00 0.00 C ATOM 0 H ALA A 54 -10.893 -10.639 -4.728 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.478 -12.818 -4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.164 -12.680 -6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.051 -11.070 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.760 -11.639 -6.841 1.00 0.00 H new ATOM 878 N PHE A 55 -10.201 -13.705 -6.361 1.00 0.00 N ATOM 879 CA PHE A 55 -9.441 -14.846 -6.862 1.00 0.00 C ATOM 880 C PHE A 55 -7.937 -14.613 -6.725 1.00 0.00 C ATOM 881 O PHE A 55 -7.162 -15.564 -6.618 1.00 0.00 O ATOM 882 CB PHE A 55 -9.793 -15.115 -8.326 1.00 0.00 C ATOM 883 CG PHE A 55 -9.581 -16.543 -8.741 1.00 0.00 C ATOM 884 CD1 PHE A 55 -8.301 -17.048 -8.906 1.00 0.00 C ATOM 885 CD2 PHE A 55 -10.662 -17.381 -8.965 1.00 0.00 C ATOM 886 CE1 PHE A 55 -8.103 -18.362 -9.287 1.00 0.00 C ATOM 887 CE2 PHE A 55 -10.470 -18.695 -9.346 1.00 0.00 C ATOM 888 CZ PHE A 55 -9.189 -19.186 -9.507 1.00 0.00 C ATOM 0 H PHE A 55 -10.051 -12.838 -6.878 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.709 -15.715 -6.261 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -10.836 -14.847 -8.496 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.189 -14.467 -8.961 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.448 -16.408 -8.735 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.666 -17.002 -8.840 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.100 -18.744 -9.412 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.321 -19.338 -9.518 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.037 -20.213 -9.805 1.00 0.00 H new ATOM 898 N ARG A 56 -7.530 -13.347 -6.730 1.00 0.00 N ATOM 899 CA ARG A 56 -6.119 -12.998 -6.609 1.00 0.00 C ATOM 900 C ARG A 56 -5.710 -12.873 -5.144 1.00 0.00 C ATOM 901 O ARG A 56 -6.538 -12.583 -4.280 1.00 0.00 O ATOM 902 CB ARG A 56 -5.832 -11.688 -7.347 1.00 0.00 C ATOM 903 CG ARG A 56 -4.595 -11.744 -8.228 1.00 0.00 C ATOM 904 CD ARG A 56 -3.378 -11.174 -7.516 1.00 0.00 C ATOM 905 NE ARG A 56 -2.149 -11.382 -8.278 1.00 0.00 N ATOM 906 CZ ARG A 56 -1.575 -12.571 -8.449 1.00 0.00 C ATOM 907 NH1 ARG A 56 -2.115 -13.660 -7.916 1.00 0.00 N ATOM 908 NH2 ARG A 56 -0.456 -12.671 -9.154 1.00 0.00 N ATOM 0 H ARG A 56 -8.157 -12.547 -6.816 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.533 -13.798 -7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.694 -11.431 -7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.712 -10.888 -6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.399 -12.777 -8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.775 -11.185 -9.146 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.524 -10.107 -7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.280 -11.641 -6.536 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.705 -10.569 -8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.975 -13.589 -7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.670 -14.568 -8.051 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.036 -11.837 -9.565 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.016 -13.582 -9.285 1.00 0.00 H new ATOM 922 N ASN A 57 -4.427 -13.093 -4.873 1.00 0.00 N ATOM 923 CA ASN A 57 -3.905 -13.004 -3.514 1.00 0.00 C ATOM 924 C ASN A 57 -2.612 -12.195 -3.481 1.00 0.00 C ATOM 925 O ASN A 57 -1.835 -12.209 -4.436 1.00 0.00 O ATOM 926 CB ASN A 57 -3.660 -14.403 -2.947 1.00 0.00 C ATOM 927 CG ASN A 57 -4.868 -14.949 -2.211 1.00 0.00 C ATOM 928 OD1 ASN A 57 -5.793 -15.482 -2.824 1.00 0.00 O ATOM 929 ND2 ASN A 57 -4.865 -14.819 -0.890 1.00 0.00 N ATOM 0 H ASN A 57 -3.730 -13.334 -5.577 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.647 -12.495 -2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.397 -15.080 -3.759 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.808 -14.373 -2.268 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.651 -15.168 -0.341 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.077 -14.370 -0.423 1.00 0.00 H new ATOM 936 N ILE A 58 -2.388 -11.489 -2.377 1.00 0.00 N ATOM 937 CA ILE A 58 -1.189 -10.673 -2.221 1.00 0.00 C ATOM 938 C ILE A 58 -0.728 -10.657 -0.768 1.00 0.00 C ATOM 939 O ILE A 58 -1.520 -10.879 0.148 1.00 0.00 O ATOM 940 CB ILE A 58 -1.417 -9.222 -2.704 1.00 0.00 C ATOM 941 CG1 ILE A 58 -2.371 -9.197 -3.906 1.00 0.00 C ATOM 942 CG2 ILE A 58 -0.091 -8.571 -3.064 1.00 0.00 C ATOM 943 CD1 ILE A 58 -2.837 -7.806 -4.286 1.00 0.00 C ATOM 0 H ILE A 58 -3.021 -11.466 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.415 -11.125 -2.841 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.874 -8.655 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.873 -9.650 -4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.241 -9.813 -3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.267 -7.550 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.557 -8.556 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.389 -9.139 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.508 -7.868 -5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.364 -7.356 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.975 -7.191 -4.544 1.00 0.00 H new ATOM 955 N GLU A 59 0.561 -10.405 -0.561 1.00 0.00 N ATOM 956 CA GLU A 59 1.125 -10.373 0.783 1.00 0.00 C ATOM 957 C GLU A 59 2.544 -9.812 0.763 1.00 0.00 C ATOM 958 O GLU A 59 3.303 -10.049 -0.177 1.00 0.00 O ATOM 959 CB GLU A 59 1.120 -11.783 1.386 1.00 0.00 C ATOM 960 CG GLU A 59 1.882 -11.900 2.699 1.00 0.00 C ATOM 961 CD GLU A 59 1.036 -12.479 3.817 1.00 0.00 C ATOM 962 OE1 GLU A 59 0.537 -13.613 3.657 1.00 0.00 O ATOM 963 OE2 GLU A 59 0.874 -11.800 4.852 1.00 0.00 O ATOM 0 H GLU A 59 1.233 -10.220 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 59 0.510 -9.719 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.088 -12.093 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.552 -12.477 0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.760 -12.529 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.242 -10.915 2.994 1.00 0.00 H new ATOM 970 N VAL A 60 2.893 -9.066 1.806 1.00 0.00 N ATOM 971 CA VAL A 60 4.219 -8.471 1.907 1.00 0.00 C ATOM 972 C VAL A 60 4.582 -8.169 3.358 1.00 0.00 C ATOM 973 O VAL A 60 3.888 -7.417 4.040 1.00 0.00 O ATOM 974 CB VAL A 60 4.314 -7.171 1.079 1.00 0.00 C ATOM 975 CG1 VAL A 60 3.217 -6.196 1.479 1.00 0.00 C ATOM 976 CG2 VAL A 60 5.688 -6.528 1.231 1.00 0.00 C ATOM 0 H VAL A 60 2.276 -8.860 2.592 1.00 0.00 H new ATOM 0 HA VAL A 60 4.924 -9.200 1.508 1.00 0.00 H new ATOM 0 HB VAL A 60 4.176 -7.429 0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.303 -5.287 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.243 -6.653 1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.318 -5.948 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.730 -5.614 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.864 -6.289 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.454 -7.221 0.884 1.00 0.00 H new ATOM 986 N VAL A 61 5.682 -8.749 3.820 1.00 0.00 N ATOM 987 CA VAL A 61 6.143 -8.525 5.183 1.00 0.00 C ATOM 988 C VAL A 61 6.785 -7.146 5.289 1.00 0.00 C ATOM 989 O VAL A 61 7.340 -6.640 4.315 1.00 0.00 O ATOM 990 CB VAL A 61 7.137 -9.624 5.656 1.00 0.00 C ATOM 991 CG1 VAL A 61 7.599 -10.500 4.506 1.00 0.00 C ATOM 992 CG2 VAL A 61 8.336 -9.024 6.382 1.00 0.00 C ATOM 0 H VAL A 61 6.270 -9.377 3.272 1.00 0.00 H new ATOM 0 HA VAL A 61 5.275 -8.576 5.840 1.00 0.00 H new ATOM 0 HB VAL A 61 6.593 -10.253 6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 61 8.292 -11.254 4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.737 -10.991 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.100 -9.885 3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.008 -9.823 6.697 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.866 -8.347 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.993 -8.472 7.257 1.00 0.00 H new ATOM 1002 N PHE A 62 6.706 -6.541 6.471 1.00 0.00 N ATOM 1003 CA PHE A 62 7.275 -5.218 6.688 1.00 0.00 C ATOM 1004 C PHE A 62 8.239 -5.241 7.853 1.00 0.00 C ATOM 1005 O PHE A 62 8.098 -6.043 8.769 1.00 0.00 O ATOM 1006 CB PHE A 62 6.170 -4.189 6.960 1.00 0.00 C ATOM 1007 CG PHE A 62 5.230 -3.944 5.807 1.00 0.00 C ATOM 1008 CD1 PHE A 62 5.561 -4.325 4.516 1.00 0.00 C ATOM 1009 CD2 PHE A 62 4.010 -3.322 6.021 1.00 0.00 C ATOM 1010 CE1 PHE A 62 4.696 -4.090 3.464 1.00 0.00 C ATOM 1011 CE2 PHE A 62 3.140 -3.086 4.973 1.00 0.00 C ATOM 1012 CZ PHE A 62 3.485 -3.469 3.693 1.00 0.00 C ATOM 0 H PHE A 62 6.254 -6.946 7.291 1.00 0.00 H new ATOM 0 HA PHE A 62 7.811 -4.932 5.783 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.588 -4.522 7.819 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.635 -3.243 7.237 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.507 -4.812 4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.735 -3.018 7.020 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.968 -4.392 2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.192 -2.603 5.156 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.809 -3.283 2.872 1.00 0.00 H new ATOM 1022 N GLU A 63 9.220 -4.359 7.804 1.00 0.00 N ATOM 1023 CA GLU A 63 10.217 -4.278 8.852 1.00 0.00 C ATOM 1024 C GLU A 63 10.723 -2.847 8.997 1.00 0.00 C ATOM 1025 O GLU A 63 11.286 -2.281 8.060 1.00 0.00 O ATOM 1026 CB GLU A 63 11.360 -5.236 8.534 1.00 0.00 C ATOM 1027 CG GLU A 63 12.131 -5.698 9.760 1.00 0.00 C ATOM 1028 CD GLU A 63 13.261 -6.649 9.417 1.00 0.00 C ATOM 1029 OE1 GLU A 63 12.976 -7.738 8.875 1.00 0.00 O ATOM 1030 OE2 GLU A 63 14.430 -6.306 9.691 1.00 0.00 O ATOM 0 H GLU A 63 9.347 -3.687 7.047 1.00 0.00 H new ATOM 0 HA GLU A 63 9.770 -4.567 9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.958 -6.108 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.050 -4.748 7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.538 -4.829 10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.446 -6.189 10.451 1.00 0.00 H new ATOM 1037 N LEU A 64 10.511 -2.262 10.173 1.00 0.00 N ATOM 1038 CA LEU A 64 10.940 -0.892 10.425 1.00 0.00 C ATOM 1039 C LEU A 64 12.450 -0.760 10.260 1.00 0.00 C ATOM 1040 O LEU A 64 13.222 -1.239 11.090 1.00 0.00 O ATOM 1041 CB LEU A 64 10.513 -0.448 11.827 1.00 0.00 C ATOM 1042 CG LEU A 64 9.024 -0.630 12.142 1.00 0.00 C ATOM 1043 CD1 LEU A 64 8.697 -0.054 13.511 1.00 0.00 C ATOM 1044 CD2 LEU A 64 8.169 0.028 11.070 1.00 0.00 C ATOM 0 H LEU A 64 10.047 -2.713 10.961 1.00 0.00 H new ATOM 0 HA LEU A 64 10.459 -0.242 9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.094 -1.006 12.561 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.769 0.604 11.951 1.00 0.00 H new ATOM 0 HG LEU A 64 8.801 -1.697 12.154 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.636 -0.191 13.719 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.286 -0.567 14.272 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.935 1.010 13.524 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.115 -0.111 11.309 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.394 1.094 11.028 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.384 -0.427 10.103 1.00 0.00 H new ATOM 1056 N GLY A 65 12.861 -0.116 9.171 1.00 0.00 N ATOM 1057 CA GLY A 65 14.275 0.059 8.898 1.00 0.00 C ATOM 1058 C GLY A 65 14.762 -0.876 7.811 1.00 0.00 C ATOM 1059 O GLY A 65 15.943 -1.217 7.752 1.00 0.00 O ATOM 0 H GLY A 65 12.238 0.288 8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.462 1.091 8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.845 -0.117 9.810 1.00 0.00 H new ATOM 1063 N VAL A 66 13.841 -1.286 6.947 1.00 0.00 N ATOM 1064 CA VAL A 66 14.160 -2.183 5.848 1.00 0.00 C ATOM 1065 C VAL A 66 13.483 -1.717 4.570 1.00 0.00 C ATOM 1066 O VAL A 66 12.542 -0.922 4.606 1.00 0.00 O ATOM 1067 CB VAL A 66 13.738 -3.628 6.169 1.00 0.00 C ATOM 1068 CG1 VAL A 66 14.134 -4.572 5.044 1.00 0.00 C ATOM 1069 CG2 VAL A 66 14.355 -4.068 7.486 1.00 0.00 C ATOM 0 H VAL A 66 12.861 -1.008 6.989 1.00 0.00 H new ATOM 0 HA VAL A 66 15.241 -2.166 5.706 1.00 0.00 H new ATOM 0 HB VAL A 66 12.653 -3.661 6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.825 -5.587 5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.646 -4.262 4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.215 -4.545 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.052 -5.092 7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.441 -4.019 7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.015 -3.409 8.285 1.00 0.00 H new ATOM 1079 N THR A 67 13.987 -2.190 3.442 1.00 0.00 N ATOM 1080 CA THR A 67 13.453 -1.797 2.151 1.00 0.00 C ATOM 1081 C THR A 67 12.236 -2.632 1.750 1.00 0.00 C ATOM 1082 O THR A 67 12.132 -3.812 2.085 1.00 0.00 O ATOM 1083 CB THR A 67 14.558 -1.900 1.093 1.00 0.00 C ATOM 1084 OG1 THR A 67 15.336 -0.717 1.073 1.00 0.00 O ATOM 1085 CG2 THR A 67 14.049 -2.133 -0.316 1.00 0.00 C ATOM 0 H THR A 67 14.766 -2.847 3.396 1.00 0.00 H new ATOM 0 HA THR A 67 13.111 -0.765 2.224 1.00 0.00 H new ATOM 0 HB THR A 67 15.146 -2.769 1.387 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.748 0.059 0.959 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.893 -2.194 -1.003 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.486 -3.066 -0.350 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.401 -1.307 -0.610 1.00 0.00 H new ATOM 1093 N PHE A 68 11.329 -1.997 1.011 1.00 0.00 N ATOM 1094 CA PHE A 68 10.118 -2.647 0.527 1.00 0.00 C ATOM 1095 C PHE A 68 10.421 -3.416 -0.751 1.00 0.00 C ATOM 1096 O PHE A 68 11.353 -3.078 -1.481 1.00 0.00 O ATOM 1097 CB PHE A 68 9.024 -1.603 0.261 1.00 0.00 C ATOM 1098 CG PHE A 68 7.943 -1.534 1.313 1.00 0.00 C ATOM 1099 CD1 PHE A 68 8.107 -2.135 2.553 1.00 0.00 C ATOM 1100 CD2 PHE A 68 6.753 -0.866 1.054 1.00 0.00 C ATOM 1101 CE1 PHE A 68 7.110 -2.073 3.504 1.00 0.00 C ATOM 1102 CE2 PHE A 68 5.754 -0.802 2.003 1.00 0.00 C ATOM 1103 CZ PHE A 68 5.932 -1.408 3.229 1.00 0.00 C ATOM 0 H PHE A 68 11.414 -1.019 0.732 1.00 0.00 H new ATOM 0 HA PHE A 68 9.763 -3.341 1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.491 -0.622 0.176 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.561 -1.820 -0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.026 -2.657 2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.608 -0.390 0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 68 7.251 -2.545 4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.835 -0.279 1.786 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.151 -1.362 3.973 1.00 0.00 H new ATOM 1113 N ASN A 69 9.635 -4.450 -1.015 1.00 0.00 N ATOM 1114 CA ASN A 69 9.831 -5.267 -2.206 1.00 0.00 C ATOM 1115 C ASN A 69 8.506 -5.584 -2.888 1.00 0.00 C ATOM 1116 O ASN A 69 7.578 -6.097 -2.262 1.00 0.00 O ATOM 1117 CB ASN A 69 10.552 -6.566 -1.843 1.00 0.00 C ATOM 1118 CG ASN A 69 12.057 -6.395 -1.785 1.00 0.00 C ATOM 1119 OD1 ASN A 69 12.590 -5.795 -0.852 1.00 0.00 O ATOM 1120 ND2 ASN A 69 12.752 -6.925 -2.785 1.00 0.00 N ATOM 0 H ASN A 69 8.858 -4.743 -0.423 1.00 0.00 H new ATOM 0 HA ASN A 69 10.443 -4.696 -2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.192 -6.920 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.304 -7.333 -2.577 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.769 -6.843 -2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.269 -7.414 -3.539 1.00 0.00 H new ATOM 1127 N TYR A 70 8.431 -5.281 -4.179 1.00 0.00 N ATOM 1128 CA TYR A 70 7.227 -5.538 -4.959 1.00 0.00 C ATOM 1129 C TYR A 70 7.571 -5.703 -6.436 1.00 0.00 C ATOM 1130 O TYR A 70 6.843 -5.237 -7.313 1.00 0.00 O ATOM 1131 CB TYR A 70 6.217 -4.403 -4.769 1.00 0.00 C ATOM 1132 CG TYR A 70 4.941 -4.840 -4.084 1.00 0.00 C ATOM 1133 CD1 TYR A 70 4.329 -6.042 -4.415 1.00 0.00 C ATOM 1134 CD2 TYR A 70 4.351 -4.051 -3.105 1.00 0.00 C ATOM 1135 CE1 TYR A 70 3.164 -6.445 -3.790 1.00 0.00 C ATOM 1136 CE2 TYR A 70 3.187 -4.448 -2.475 1.00 0.00 C ATOM 1137 CZ TYR A 70 2.598 -5.645 -2.821 1.00 0.00 C ATOM 1138 OH TYR A 70 1.439 -6.043 -2.196 1.00 0.00 O ATOM 0 H TYR A 70 9.192 -4.856 -4.708 1.00 0.00 H new ATOM 0 HA TYR A 70 6.778 -6.466 -4.605 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.681 -3.609 -4.184 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.971 -3.979 -5.743 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.771 -6.672 -5.173 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.809 -3.112 -2.832 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.700 -7.382 -4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.741 -3.823 -1.715 1.00 0.00 H new ATOM 0 HH TYR A 70 1.156 -5.352 -1.562 1.00 0.00 H new ATOM 1224 N GLU A 77 7.361 -3.035 -10.526 1.00 0.00 N ATOM 1225 CA GLU A 77 8.359 -3.286 -9.493 1.00 0.00 C ATOM 1226 C GLU A 77 8.612 -2.025 -8.674 1.00 0.00 C ATOM 1227 O GLU A 77 8.992 -0.988 -9.218 1.00 0.00 O ATOM 1228 CB GLU A 77 9.666 -3.772 -10.123 1.00 0.00 C ATOM 1229 CG GLU A 77 9.477 -4.896 -11.129 1.00 0.00 C ATOM 1230 CD GLU A 77 10.547 -4.904 -12.202 1.00 0.00 C ATOM 1231 OE1 GLU A 77 10.793 -3.837 -12.804 1.00 0.00 O ATOM 1232 OE2 GLU A 77 11.140 -5.977 -12.441 1.00 0.00 O ATOM 0 HA GLU A 77 7.977 -4.062 -8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.155 -2.933 -10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.336 -4.112 -9.333 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.485 -5.852 -10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.498 -4.798 -11.598 1.00 0.00 H new ATOM 1239 N LEU A 78 8.394 -2.117 -7.366 1.00 0.00 N ATOM 1240 CA LEU A 78 8.594 -0.976 -6.481 1.00 0.00 C ATOM 1241 C LEU A 78 9.333 -1.386 -5.207 1.00 0.00 C ATOM 1242 O LEU A 78 8.904 -2.289 -4.489 1.00 0.00 O ATOM 1243 CB LEU A 78 7.242 -0.338 -6.138 1.00 0.00 C ATOM 1244 CG LEU A 78 6.815 0.806 -7.068 1.00 0.00 C ATOM 1245 CD1 LEU A 78 5.486 0.497 -7.737 1.00 0.00 C ATOM 1246 CD2 LEU A 78 6.721 2.121 -6.322 1.00 0.00 C ATOM 0 H LEU A 78 8.080 -2.967 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 78 9.212 -0.243 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.475 -1.112 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.283 0.039 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 78 7.583 0.900 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.207 1.324 -8.390 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.579 -0.416 -8.326 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.718 0.361 -6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.416 2.909 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.986 2.034 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.693 2.368 -5.896 1.00 0.00 H new ATOM 1258 N ARG A 79 10.452 -0.712 -4.941 1.00 0.00 N ATOM 1259 CA ARG A 79 11.270 -0.992 -3.760 1.00 0.00 C ATOM 1260 C ARG A 79 11.546 0.287 -2.972 1.00 0.00 C ATOM 1261 O ARG A 79 12.064 1.250 -3.520 1.00 0.00 O ATOM 1262 CB ARG A 79 12.599 -1.610 -4.186 1.00 0.00 C ATOM 1263 CG ARG A 79 12.454 -2.729 -5.204 1.00 0.00 C ATOM 1264 CD ARG A 79 13.486 -3.824 -4.983 1.00 0.00 C ATOM 1265 NE ARG A 79 14.475 -3.869 -6.057 1.00 0.00 N ATOM 1266 CZ ARG A 79 15.508 -3.034 -6.149 1.00 0.00 C ATOM 1267 NH1 ARG A 79 15.691 -2.090 -5.235 1.00 0.00 N ATOM 1268 NH2 ARG A 79 16.361 -3.145 -7.159 1.00 0.00 N ATOM 0 H ARG A 79 10.815 0.036 -5.531 1.00 0.00 H new ATOM 0 HA ARG A 79 10.721 -1.687 -3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.235 -0.830 -4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.109 -1.997 -3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.452 -3.154 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.563 -2.323 -6.210 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.991 -3.659 -4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.982 -4.788 -4.913 1.00 0.00 H new ATOM 0 HE ARG A 79 14.368 -4.582 -6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 79 15.038 -2.001 -4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 79 16.484 -1.453 -5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.225 -3.869 -7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 79 17.153 -2.506 -7.230 1.00 0.00 H new ATOM 1282 N GLY A 80 11.216 0.295 -1.686 1.00 0.00 N ATOM 1283 CA GLY A 80 11.462 1.482 -0.878 1.00 0.00 C ATOM 1284 C GLY A 80 11.824 1.152 0.556 1.00 0.00 C ATOM 1285 O GLY A 80 12.811 0.468 0.802 1.00 0.00 O ATOM 0 H GLY A 80 10.788 -0.487 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.269 2.061 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.573 2.113 -0.888 1.00 0.00 H new ATOM 1289 N THR A 81 11.019 1.637 1.501 1.00 0.00 N ATOM 1290 CA THR A 81 11.251 1.383 2.922 1.00 0.00 C ATOM 1291 C THR A 81 9.965 1.559 3.723 1.00 0.00 C ATOM 1292 O THR A 81 8.936 1.961 3.185 1.00 0.00 O ATOM 1293 CB THR A 81 12.329 2.316 3.474 1.00 0.00 C ATOM 1294 OG1 THR A 81 12.180 3.623 2.949 1.00 0.00 O ATOM 1295 CG2 THR A 81 13.734 1.853 3.165 1.00 0.00 C ATOM 0 H THR A 81 10.198 2.210 1.307 1.00 0.00 H new ATOM 0 HA THR A 81 11.591 0.352 3.020 1.00 0.00 H new ATOM 0 HB THR A 81 12.191 2.309 4.555 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.878 4.205 3.316 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.450 2.559 3.585 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.897 0.868 3.602 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.869 1.797 2.085 1.00 0.00 H new ATOM 1303 N TRP A 82 10.034 1.262 5.016 1.00 0.00 N ATOM 1304 CA TRP A 82 8.879 1.397 5.899 1.00 0.00 C ATOM 1305 C TRP A 82 9.329 1.667 7.328 1.00 0.00 C ATOM 1306 O TRP A 82 10.159 0.941 7.874 1.00 0.00 O ATOM 1307 CB TRP A 82 8.016 0.136 5.858 1.00 0.00 C ATOM 1308 CG TRP A 82 6.552 0.413 6.024 1.00 0.00 C ATOM 1309 CD1 TRP A 82 5.687 0.842 5.061 1.00 0.00 C ATOM 1310 CD2 TRP A 82 5.782 0.284 7.226 1.00 0.00 C ATOM 1311 NE1 TRP A 82 4.426 0.984 5.586 1.00 0.00 N ATOM 1312 CE2 TRP A 82 4.458 0.649 6.914 1.00 0.00 C ATOM 1313 CE3 TRP A 82 6.080 -0.105 8.535 1.00 0.00 C ATOM 1314 CZ2 TRP A 82 3.438 0.635 7.861 1.00 0.00 C ATOM 1315 CZ3 TRP A 82 5.066 -0.118 9.474 1.00 0.00 C ATOM 1316 CH2 TRP A 82 3.759 0.250 9.133 1.00 0.00 C ATOM 0 H TRP A 82 10.879 0.925 5.478 1.00 0.00 H new ATOM 0 HA TRP A 82 8.284 2.240 5.549 1.00 0.00 H new ATOM 0 HB2 TRP A 82 8.177 -0.375 4.909 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.341 -0.544 6.645 1.00 0.00 H new ATOM 0 HD1 TRP A 82 5.955 1.041 4.034 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.600 1.289 5.071 1.00 0.00 H new ATOM 0 HE3 TRP A 82 7.085 -0.390 8.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 2.429 0.918 7.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.286 -0.417 10.488 1.00 0.00 H new ATOM 0 HH2 TRP A 82 2.989 0.229 9.890 1.00 0.00 H new ATOM 1327 N SER A 83 8.780 2.714 7.928 1.00 0.00 N ATOM 1328 CA SER A 83 9.128 3.077 9.295 1.00 0.00 C ATOM 1329 C SER A 83 7.930 3.686 10.013 1.00 0.00 C ATOM 1330 O SER A 83 7.080 4.324 9.392 1.00 0.00 O ATOM 1331 CB SER A 83 10.300 4.061 9.301 1.00 0.00 C ATOM 1332 OG SER A 83 11.445 3.487 9.907 1.00 0.00 O ATOM 0 H SER A 83 8.092 3.327 7.490 1.00 0.00 H new ATOM 0 HA SER A 83 9.424 2.171 9.824 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.536 4.357 8.279 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.016 4.966 9.838 1.00 0.00 H new ATOM 0 HG SER A 83 12.180 4.135 9.897 1.00 0.00 H new ATOM 1338 N LEU A 84 7.868 3.484 11.324 1.00 0.00 N ATOM 1339 CA LEU A 84 6.771 4.014 12.122 1.00 0.00 C ATOM 1340 C LEU A 84 7.285 4.974 13.187 1.00 0.00 C ATOM 1341 O LEU A 84 8.200 4.651 13.944 1.00 0.00 O ATOM 1342 CB LEU A 84 5.992 2.875 12.778 1.00 0.00 C ATOM 1343 CG LEU A 84 4.472 3.059 12.793 1.00 0.00 C ATOM 1344 CD1 LEU A 84 3.775 1.777 12.365 1.00 0.00 C ATOM 1345 CD2 LEU A 84 3.999 3.490 14.173 1.00 0.00 C ATOM 0 H LEU A 84 8.563 2.959 11.855 1.00 0.00 H new ATOM 0 HA LEU A 84 6.105 4.563 11.456 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.226 1.947 12.257 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.340 2.760 13.805 1.00 0.00 H new ATOM 0 HG LEU A 84 4.214 3.844 12.082 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.695 1.927 12.382 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.089 1.512 11.355 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.040 0.972 13.051 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.916 3.616 14.164 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.270 2.729 14.905 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.472 4.435 14.441 1.00 0.00 H new ATOM 1357 N GLU A 85 6.685 6.155 13.238 1.00 0.00 N ATOM 1358 CA GLU A 85 7.071 7.170 14.208 1.00 0.00 C ATOM 1359 C GLU A 85 5.925 7.449 15.173 1.00 0.00 C ATOM 1360 O GLU A 85 5.040 8.255 14.885 1.00 0.00 O ATOM 1361 CB GLU A 85 7.480 8.459 13.494 1.00 0.00 C ATOM 1362 CG GLU A 85 8.470 8.238 12.362 1.00 0.00 C ATOM 1363 CD GLU A 85 9.897 8.557 12.765 1.00 0.00 C ATOM 1364 OE1 GLU A 85 10.311 9.725 12.607 1.00 0.00 O ATOM 1365 OE2 GLU A 85 10.599 7.639 13.238 1.00 0.00 O ATOM 0 H GLU A 85 5.926 6.434 12.616 1.00 0.00 H new ATOM 0 HA GLU A 85 7.923 6.796 14.776 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.588 8.943 13.096 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.918 9.144 14.220 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.413 7.201 12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.189 8.859 11.512 1.00 0.00 H new ATOM 1372 N GLY A 86 5.941 6.772 16.316 1.00 0.00 N ATOM 1373 CA GLY A 86 4.892 6.958 17.300 1.00 0.00 C ATOM 1374 C GLY A 86 3.606 6.267 16.903 1.00 0.00 C ATOM 1375 O GLY A 86 3.488 5.047 17.015 1.00 0.00 O ATOM 0 H GLY A 86 6.661 6.099 16.578 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.227 6.573 18.263 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.704 8.024 17.431 1.00 0.00 H new ATOM 1379 N ASN A 87 2.641 7.048 16.439 1.00 0.00 N ATOM 1380 CA ASN A 87 1.356 6.504 16.022 1.00 0.00 C ATOM 1381 C ASN A 87 1.138 6.689 14.521 1.00 0.00 C ATOM 1382 O ASN A 87 0.004 6.662 14.044 1.00 0.00 O ATOM 1383 CB ASN A 87 0.220 7.172 16.798 1.00 0.00 C ATOM 1384 CG ASN A 87 0.320 8.685 16.782 1.00 0.00 C ATOM 1385 OD1 ASN A 87 0.880 9.292 17.695 1.00 0.00 O ATOM 1386 ND2 ASN A 87 -0.225 9.303 15.740 1.00 0.00 N ATOM 0 H ASN A 87 2.723 8.060 16.342 1.00 0.00 H new ATOM 0 HA ASN A 87 1.360 5.436 16.238 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.736 6.869 16.370 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.233 6.821 17.830 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -0.189 10.320 15.674 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.679 8.760 15.006 1.00 0.00 H new ATOM 1393 N LYS A 88 2.228 6.881 13.781 1.00 0.00 N ATOM 1394 CA LYS A 88 2.143 7.073 12.337 1.00 0.00 C ATOM 1395 C LYS A 88 3.183 6.228 11.605 1.00 0.00 C ATOM 1396 O LYS A 88 4.309 6.065 12.075 1.00 0.00 O ATOM 1397 CB LYS A 88 2.335 8.550 11.988 1.00 0.00 C ATOM 1398 CG LYS A 88 1.380 9.478 12.721 1.00 0.00 C ATOM 1399 CD LYS A 88 2.126 10.547 13.503 1.00 0.00 C ATOM 1400 CE LYS A 88 2.958 11.430 12.586 1.00 0.00 C ATOM 1401 NZ LYS A 88 2.105 12.296 11.726 1.00 0.00 N ATOM 0 H LYS A 88 3.176 6.908 14.156 1.00 0.00 H new ATOM 0 HA LYS A 88 1.153 6.752 12.014 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.360 8.839 12.221 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.203 8.681 10.914 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.711 9.952 12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.758 8.897 13.401 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.413 11.161 14.053 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.774 10.074 14.241 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.621 12.054 13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.592 10.805 11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.709 12.918 11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.527 11.701 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.482 12.874 12.325 1.00 0.00 H new ATOM 1415 N LEU A 89 2.795 5.698 10.449 1.00 0.00 N ATOM 1416 CA LEU A 89 3.688 4.873 9.642 1.00 0.00 C ATOM 1417 C LEU A 89 3.967 5.540 8.299 1.00 0.00 C ATOM 1418 O LEU A 89 3.068 6.115 7.686 1.00 0.00 O ATOM 1419 CB LEU A 89 3.072 3.491 9.417 1.00 0.00 C ATOM 1420 CG LEU A 89 1.717 3.496 8.707 1.00 0.00 C ATOM 1421 CD1 LEU A 89 1.900 3.342 7.204 1.00 0.00 C ATOM 1422 CD2 LEU A 89 0.822 2.392 9.254 1.00 0.00 C ATOM 0 H LEU A 89 1.865 5.826 10.049 1.00 0.00 H new ATOM 0 HA LEU A 89 4.630 4.761 10.179 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.769 2.890 8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.958 2.999 10.383 1.00 0.00 H new ATOM 0 HG LEU A 89 1.234 4.454 8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.925 3.348 6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.501 4.168 6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.405 2.399 6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.137 2.412 8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.300 1.425 9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.662 2.548 10.321 1.00 0.00 H new ATOM 1434 N ILE A 90 5.216 5.467 7.846 1.00 0.00 N ATOM 1435 CA ILE A 90 5.594 6.076 6.575 1.00 0.00 C ATOM 1436 C ILE A 90 6.325 5.090 5.668 1.00 0.00 C ATOM 1437 O ILE A 90 7.539 4.916 5.771 1.00 0.00 O ATOM 1438 CB ILE A 90 6.488 7.317 6.778 1.00 0.00 C ATOM 1439 CG1 ILE A 90 6.090 8.068 8.053 1.00 0.00 C ATOM 1440 CG2 ILE A 90 6.393 8.235 5.566 1.00 0.00 C ATOM 1441 CD1 ILE A 90 6.940 7.714 9.254 1.00 0.00 C ATOM 0 H ILE A 90 5.977 4.996 8.336 1.00 0.00 H new ATOM 0 HA ILE A 90 4.661 6.378 6.099 1.00 0.00 H new ATOM 0 HB ILE A 90 7.521 6.987 6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.162 9.140 7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.046 7.853 8.281 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.028 9.108 5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.723 7.698 4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.360 8.557 5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.601 8.283 10.120 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.849 6.648 9.462 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.982 7.956 9.046 1.00 0.00 H new ATOM 1453 N GLY A 91 5.577 4.460 4.767 1.00 0.00 N ATOM 1454 CA GLY A 91 6.164 3.514 3.838 1.00 0.00 C ATOM 1455 C GLY A 91 6.726 4.201 2.610 1.00 0.00 C ATOM 1456 O GLY A 91 6.467 5.383 2.382 1.00 0.00 O ATOM 0 H GLY A 91 4.570 4.589 4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.958 2.959 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.410 2.788 3.534 1.00 0.00 H new ATOM 1460 N LYS A 92 7.502 3.471 1.819 1.00 0.00 N ATOM 1461 CA LYS A 92 8.098 4.037 0.618 1.00 0.00 C ATOM 1462 C LYS A 92 8.407 2.964 -0.421 1.00 0.00 C ATOM 1463 O LYS A 92 8.567 1.788 -0.091 1.00 0.00 O ATOM 1464 CB LYS A 92 9.383 4.783 0.978 1.00 0.00 C ATOM 1465 CG LYS A 92 9.155 6.232 1.373 1.00 0.00 C ATOM 1466 CD LYS A 92 9.564 6.493 2.814 1.00 0.00 C ATOM 1467 CE LYS A 92 8.811 7.677 3.395 1.00 0.00 C ATOM 1468 NZ LYS A 92 9.575 8.342 4.485 1.00 0.00 N ATOM 0 H LYS A 92 7.732 2.491 1.987 1.00 0.00 H new ATOM 0 HA LYS A 92 7.374 4.727 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.876 4.264 1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.063 4.750 0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.723 6.884 0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.103 6.484 1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.370 5.605 3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.636 6.682 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.604 8.399 2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.848 7.341 3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.026 9.145 4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.751 7.661 5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.483 8.686 4.113 1.00 0.00 H new ATOM 1482 N PHE A 93 8.528 3.393 -1.674 1.00 0.00 N ATOM 1483 CA PHE A 93 8.865 2.495 -2.775 1.00 0.00 C ATOM 1484 C PHE A 93 9.743 3.221 -3.790 1.00 0.00 C ATOM 1485 O PHE A 93 9.919 4.437 -3.720 1.00 0.00 O ATOM 1486 CB PHE A 93 7.630 1.970 -3.514 1.00 0.00 C ATOM 1487 CG PHE A 93 6.831 0.916 -2.792 1.00 0.00 C ATOM 1488 CD1 PHE A 93 7.293 -0.390 -2.730 1.00 0.00 C ATOM 1489 CD2 PHE A 93 5.603 1.214 -2.213 1.00 0.00 C ATOM 1490 CE1 PHE A 93 6.553 -1.376 -2.108 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.864 0.230 -1.583 1.00 0.00 C ATOM 1492 CZ PHE A 93 5.338 -1.066 -1.532 1.00 0.00 C ATOM 0 H PHE A 93 8.396 4.365 -1.954 1.00 0.00 H new ATOM 0 HA PHE A 93 9.387 1.648 -2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.973 2.813 -3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.950 1.563 -4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.245 -0.640 -3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.223 2.224 -2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.925 -2.389 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.915 0.475 -1.130 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.759 -1.835 -1.042 1.00 0.00 H new ATOM 1502 N LYS A 94 10.264 2.467 -4.749 1.00 0.00 N ATOM 1503 CA LYS A 94 11.097 3.026 -5.808 1.00 0.00 C ATOM 1504 C LYS A 94 11.017 2.155 -7.055 1.00 0.00 C ATOM 1505 O LYS A 94 11.231 0.945 -6.993 1.00 0.00 O ATOM 1506 CB LYS A 94 12.557 3.166 -5.366 1.00 0.00 C ATOM 1507 CG LYS A 94 12.890 4.525 -4.776 1.00 0.00 C ATOM 1508 CD LYS A 94 13.439 5.470 -5.833 1.00 0.00 C ATOM 1509 CE LYS A 94 14.955 5.551 -5.787 1.00 0.00 C ATOM 1510 NZ LYS A 94 15.463 5.749 -4.401 1.00 0.00 N ATOM 0 H LYS A 94 10.123 1.459 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 94 10.717 4.022 -6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.779 2.395 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.206 2.983 -6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.995 4.958 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.621 4.407 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.123 5.133 -6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 94 13.018 6.464 -5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.379 4.636 -6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.293 6.373 -6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.308 6.355 -4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.727 6.202 -3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.710 4.828 -3.987 1.00 0.00 H new ATOM 1524 N ARG A 95 10.704 2.776 -8.185 1.00 0.00 N ATOM 1525 CA ARG A 95 10.593 2.050 -9.443 1.00 0.00 C ATOM 1526 C ARG A 95 11.967 1.732 -10.015 1.00 0.00 C ATOM 1527 O ARG A 95 12.910 2.512 -9.873 1.00 0.00 O ATOM 1528 CB ARG A 95 9.785 2.855 -10.460 1.00 0.00 C ATOM 1529 CG ARG A 95 8.331 2.426 -10.559 1.00 0.00 C ATOM 1530 CD ARG A 95 7.850 2.424 -12.001 1.00 0.00 C ATOM 1531 NE ARG A 95 8.619 1.502 -12.833 1.00 0.00 N ATOM 1532 CZ ARG A 95 8.198 1.036 -14.007 1.00 0.00 C ATOM 1533 NH1 ARG A 95 7.020 1.408 -14.493 1.00 0.00 N ATOM 1534 NH2 ARG A 95 8.958 0.198 -14.699 1.00 0.00 N ATOM 0 H ARG A 95 10.523 3.777 -8.256 1.00 0.00 H new ATOM 0 HA ARG A 95 10.076 1.112 -9.239 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.826 3.910 -10.191 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.251 2.758 -11.440 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.214 1.429 -10.134 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.710 3.099 -9.968 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.796 2.147 -12.031 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.927 3.431 -12.410 1.00 0.00 H new ATOM 0 HE ARG A 95 9.532 1.197 -12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.432 2.054 -13.966 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.703 1.048 -15.393 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.865 -0.090 -14.332 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.635 -0.159 -15.598 1.00 0.00 H new ATOM 1548 N THR A 96 12.063 0.581 -10.664 1.00 0.00 N ATOM 1549 CA THR A 96 13.310 0.138 -11.269 1.00 0.00 C ATOM 1550 C THR A 96 13.552 0.844 -12.605 1.00 0.00 C ATOM 1551 O THR A 96 14.683 0.903 -13.089 1.00 0.00 O ATOM 1552 CB THR A 96 13.273 -1.384 -11.448 1.00 0.00 C ATOM 1553 OG1 THR A 96 14.056 -2.021 -10.455 1.00 0.00 O ATOM 1554 CG2 THR A 96 13.766 -1.870 -12.797 1.00 0.00 C ATOM 0 H THR A 96 11.285 -0.068 -10.786 1.00 0.00 H new ATOM 0 HA THR A 96 14.139 0.398 -10.611 1.00 0.00 H new ATOM 0 HB THR A 96 12.218 -1.644 -11.364 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.020 -2.992 -10.583 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.705 -2.958 -12.836 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.147 -1.443 -13.586 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.801 -1.559 -12.940 1.00 0.00 H new ATOM 1562 N ASP A 97 12.485 1.378 -13.195 1.00 0.00 N ATOM 1563 CA ASP A 97 12.582 2.077 -14.474 1.00 0.00 C ATOM 1564 C ASP A 97 13.687 3.130 -14.443 1.00 0.00 C ATOM 1565 O ASP A 97 14.532 3.183 -15.337 1.00 0.00 O ATOM 1566 CB ASP A 97 11.244 2.734 -14.819 1.00 0.00 C ATOM 1567 CG ASP A 97 11.271 3.433 -16.165 1.00 0.00 C ATOM 1568 OD1 ASP A 97 11.767 4.577 -16.230 1.00 0.00 O ATOM 1569 OD2 ASP A 97 10.796 2.835 -17.153 1.00 0.00 O ATOM 0 H ASP A 97 11.542 1.340 -12.807 1.00 0.00 H new ATOM 0 HA ASP A 97 12.831 1.344 -15.241 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.461 1.976 -14.822 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.986 3.455 -14.044 1.00 0.00 H new ATOM 1574 N ASN A 98 13.674 3.965 -13.410 1.00 0.00 N ATOM 1575 CA ASN A 98 14.676 5.015 -13.264 1.00 0.00 C ATOM 1576 C ASN A 98 14.827 5.421 -11.802 1.00 0.00 C ATOM 1577 O ASN A 98 15.140 6.572 -11.496 1.00 0.00 O ATOM 1578 CB ASN A 98 14.294 6.233 -14.107 1.00 0.00 C ATOM 1579 CG ASN A 98 15.502 6.907 -14.729 1.00 0.00 C ATOM 1580 OD1 ASN A 98 16.473 7.223 -14.041 1.00 0.00 O ATOM 1581 ND2 ASN A 98 15.447 7.129 -16.037 1.00 0.00 N ATOM 0 H ASN A 98 12.981 3.936 -12.662 1.00 0.00 H new ATOM 0 HA ASN A 98 15.631 4.624 -13.615 1.00 0.00 H new ATOM 0 HB2 ASN A 98 13.607 5.925 -14.895 1.00 0.00 H new ATOM 0 HB3 ASN A 98 13.762 6.951 -13.483 1.00 0.00 H new ATOM 0 HD21 ASN A 98 16.230 7.578 -16.511 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.622 6.850 -16.567 1.00 0.00 H new ATOM 1588 N GLY A 99 14.603 4.469 -10.902 1.00 0.00 N ATOM 1589 CA GLY A 99 14.718 4.745 -9.483 1.00 0.00 C ATOM 1590 C GLY A 99 13.822 5.884 -9.038 1.00 0.00 C ATOM 1591 O GLY A 99 14.272 6.807 -8.359 1.00 0.00 O ATOM 0 H GLY A 99 14.343 3.510 -11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.465 3.847 -8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.754 4.988 -9.246 1.00 0.00 H new ATOM 1595 N ASN A 100 12.549 5.816 -9.415 1.00 0.00 N ATOM 1596 CA ASN A 100 11.589 6.848 -9.041 1.00 0.00 C ATOM 1597 C ASN A 100 11.229 6.721 -7.562 1.00 0.00 C ATOM 1598 O ASN A 100 11.038 5.621 -7.057 1.00 0.00 O ATOM 1599 CB ASN A 100 10.338 6.748 -9.913 1.00 0.00 C ATOM 1600 CG ASN A 100 10.593 7.173 -11.347 1.00 0.00 C ATOM 1601 OD1 ASN A 100 11.209 8.338 -11.522 1.00 0.00 O flip ATOM 1602 ND2 ASN A 100 10.242 6.462 -12.288 1.00 0.00 N flip ATOM 0 H ASN A 100 12.159 5.059 -9.977 1.00 0.00 H new ATOM 0 HA ASN A 100 12.041 7.826 -9.202 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.972 5.721 -9.901 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.552 7.371 -9.487 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.772 5.575 -12.109 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.421 6.760 -13.247 1.00 0.00 H new ATOM 1609 N GLU A 101 11.157 7.854 -6.875 1.00 0.00 N ATOM 1610 CA GLU A 101 10.851 7.882 -5.452 1.00 0.00 C ATOM 1611 C GLU A 101 9.358 7.821 -5.195 1.00 0.00 C ATOM 1612 O GLU A 101 8.559 8.448 -5.896 1.00 0.00 O ATOM 1613 CB GLU A 101 11.434 9.142 -4.811 1.00 0.00 C ATOM 1614 CG GLU A 101 12.855 9.439 -5.252 1.00 0.00 C ATOM 1615 CD GLU A 101 13.252 10.883 -5.012 1.00 0.00 C ATOM 1616 OE1 GLU A 101 13.739 11.188 -3.904 1.00 0.00 O ATOM 1617 OE2 GLU A 101 13.075 11.708 -5.934 1.00 0.00 O ATOM 0 H GLU A 101 11.308 8.775 -7.287 1.00 0.00 H new ATOM 0 HA GLU A 101 11.305 6.999 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.799 9.993 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.413 9.032 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.542 8.784 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.957 9.210 -6.313 1.00 0.00 H new ATOM 1624 N LEU A 102 8.997 7.054 -4.180 1.00 0.00 N ATOM 1625 CA LEU A 102 7.604 6.885 -3.804 1.00 0.00 C ATOM 1626 C LEU A 102 7.435 6.984 -2.289 1.00 0.00 C ATOM 1627 O LEU A 102 8.127 6.303 -1.532 1.00 0.00 O ATOM 1628 CB LEU A 102 7.110 5.540 -4.320 1.00 0.00 C ATOM 1629 CG LEU A 102 5.590 5.356 -4.320 1.00 0.00 C ATOM 1630 CD1 LEU A 102 5.128 4.648 -5.582 1.00 0.00 C ATOM 1631 CD2 LEU A 102 5.150 4.589 -3.085 1.00 0.00 C ATOM 0 H LEU A 102 9.655 6.535 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 102 7.009 7.682 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.476 5.404 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.555 4.751 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 102 5.127 6.343 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.045 4.530 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.409 5.239 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.599 3.667 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.067 4.466 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.626 3.609 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.441 5.141 -2.191 1.00 0.00 H new ATOM 1643 N ASN A 103 6.521 7.849 -1.851 1.00 0.00 N ATOM 1644 CA ASN A 103 6.277 8.051 -0.425 1.00 0.00 C ATOM 1645 C ASN A 103 4.828 7.753 -0.054 1.00 0.00 C ATOM 1646 O ASN A 103 3.917 7.964 -0.849 1.00 0.00 O ATOM 1647 CB ASN A 103 6.614 9.491 -0.031 1.00 0.00 C ATOM 1648 CG ASN A 103 7.923 9.967 -0.631 1.00 0.00 C ATOM 1649 OD1 ASN A 103 8.087 9.991 -1.851 1.00 0.00 O ATOM 1650 ND2 ASN A 103 8.862 10.349 0.226 1.00 0.00 N ATOM 0 H ASN A 103 5.938 8.420 -2.463 1.00 0.00 H new ATOM 0 HA ASN A 103 6.920 7.358 0.118 1.00 0.00 H new ATOM 0 HB2 ASN A 103 5.809 10.151 -0.355 1.00 0.00 H new ATOM 0 HB3 ASN A 103 6.668 9.564 1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 103 9.763 10.679 -0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 103 8.682 10.312 1.229 1.00 0.00 H new ATOM 1657 N THR A 104 4.624 7.277 1.169 1.00 0.00 N ATOM 1658 CA THR A 104 3.285 6.970 1.656 1.00 0.00 C ATOM 1659 C THR A 104 3.177 7.236 3.153 1.00 0.00 C ATOM 1660 O THR A 104 3.996 6.761 3.940 1.00 0.00 O ATOM 1661 CB THR A 104 2.912 5.519 1.351 1.00 0.00 C ATOM 1662 OG1 THR A 104 1.655 5.197 1.924 1.00 0.00 O ATOM 1663 CG2 THR A 104 3.925 4.519 1.863 1.00 0.00 C ATOM 0 H THR A 104 5.369 7.095 1.841 1.00 0.00 H new ATOM 0 HA THR A 104 2.585 7.624 1.136 1.00 0.00 H new ATOM 0 HB THR A 104 2.880 5.449 0.264 1.00 0.00 H new ATOM 0 HG1 THR A 104 0.971 5.176 1.222 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.598 3.510 1.613 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.893 4.712 1.401 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.015 4.613 2.945 1.00 0.00 H new ATOM 1671 N VAL A 105 2.162 8.001 3.540 1.00 0.00 N ATOM 1672 CA VAL A 105 1.945 8.333 4.942 1.00 0.00 C ATOM 1673 C VAL A 105 0.537 7.955 5.385 1.00 0.00 C ATOM 1674 O VAL A 105 -0.447 8.519 4.907 1.00 0.00 O ATOM 1675 CB VAL A 105 2.166 9.835 5.203 1.00 0.00 C ATOM 1676 CG1 VAL A 105 2.136 10.129 6.695 1.00 0.00 C ATOM 1677 CG2 VAL A 105 3.479 10.296 4.587 1.00 0.00 C ATOM 0 H VAL A 105 1.476 8.403 2.901 1.00 0.00 H new ATOM 0 HA VAL A 105 2.671 7.760 5.519 1.00 0.00 H new ATOM 0 HB VAL A 105 1.355 10.390 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.294 11.195 6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.168 9.838 7.104 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.924 9.565 7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.618 11.359 4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.304 9.736 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.456 10.124 3.511 1.00 0.00 H new ATOM 1687 N ARG A 106 0.447 6.998 6.303 1.00 0.00 N ATOM 1688 CA ARG A 106 -0.842 6.547 6.811 1.00 0.00 C ATOM 1689 C ARG A 106 -1.080 7.068 8.224 1.00 0.00 C ATOM 1690 O ARG A 106 -0.349 6.726 9.154 1.00 0.00 O ATOM 1691 CB ARG A 106 -0.913 5.019 6.799 1.00 0.00 C ATOM 1692 CG ARG A 106 -0.574 4.405 5.450 1.00 0.00 C ATOM 1693 CD ARG A 106 -0.927 2.927 5.406 1.00 0.00 C ATOM 1694 NE ARG A 106 0.024 2.161 4.605 1.00 0.00 N ATOM 1695 CZ ARG A 106 0.048 0.831 4.553 1.00 0.00 C ATOM 1696 NH1 ARG A 106 -0.825 0.117 5.253 1.00 0.00 N ATOM 1697 NH2 ARG A 106 0.947 0.213 3.799 1.00 0.00 N ATOM 0 H ARG A 106 1.251 6.521 6.710 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.621 6.944 6.160 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.228 4.626 7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.917 4.708 7.089 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.113 4.932 4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.490 4.532 5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.949 2.529 6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.929 2.806 4.994 1.00 0.00 H new ATOM 0 HE ARG A 106 0.710 2.675 4.053 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.519 0.587 5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.802 -0.902 5.209 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.620 0.757 3.259 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.965 -0.806 3.759 1.00 0.00 H new ATOM 1711 N GLU A 107 -2.105 7.899 8.378 1.00 0.00 N ATOM 1712 CA GLU A 107 -2.439 8.471 9.678 1.00 0.00 C ATOM 1713 C GLU A 107 -3.781 7.941 10.172 1.00 0.00 C ATOM 1714 O GLU A 107 -4.627 7.533 9.377 1.00 0.00 O ATOM 1715 CB GLU A 107 -2.484 10.001 9.600 1.00 0.00 C ATOM 1716 CG GLU A 107 -1.566 10.593 8.541 1.00 0.00 C ATOM 1717 CD GLU A 107 -0.861 11.848 9.017 1.00 0.00 C ATOM 1718 OE1 GLU A 107 -0.590 11.953 10.232 1.00 0.00 O ATOM 1719 OE2 GLU A 107 -0.580 12.727 8.175 1.00 0.00 O ATOM 0 H GLU A 107 -2.720 8.192 7.618 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.662 8.176 10.383 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.508 10.314 9.395 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -2.213 10.412 10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.822 9.850 8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.148 10.824 7.649 1.00 0.00 H new ATOM 1726 N ILE A 108 -3.972 7.957 11.487 1.00 0.00 N ATOM 1727 CA ILE A 108 -5.217 7.483 12.080 1.00 0.00 C ATOM 1728 C ILE A 108 -6.207 8.630 12.232 1.00 0.00 C ATOM 1729 O ILE A 108 -6.188 9.353 13.227 1.00 0.00 O ATOM 1730 CB ILE A 108 -4.988 6.829 13.460 1.00 0.00 C ATOM 1731 CG1 ILE A 108 -3.712 5.976 13.456 1.00 0.00 C ATOM 1732 CG2 ILE A 108 -6.197 5.989 13.853 1.00 0.00 C ATOM 1733 CD1 ILE A 108 -3.847 4.664 12.709 1.00 0.00 C ATOM 0 H ILE A 108 -3.283 8.292 12.160 1.00 0.00 H new ATOM 0 HA ILE A 108 -5.622 6.729 11.405 1.00 0.00 H new ATOM 0 HB ILE A 108 -4.860 7.620 14.199 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.903 6.554 13.010 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.424 5.767 14.486 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.022 5.534 14.828 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.081 6.625 13.903 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.354 5.207 13.110 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.903 4.121 12.753 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -4.633 4.063 13.168 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -4.103 4.863 11.668 1.00 0.00 H new ATOM 1745 N ILE A 109 -7.071 8.790 11.236 1.00 0.00 N ATOM 1746 CA ILE A 109 -8.069 9.849 11.252 1.00 0.00 C ATOM 1747 C ILE A 109 -9.293 9.422 12.044 1.00 0.00 C ATOM 1748 O ILE A 109 -10.413 9.372 11.532 1.00 0.00 O ATOM 1749 CB ILE A 109 -8.483 10.239 9.822 1.00 0.00 C ATOM 1750 CG1 ILE A 109 -9.167 11.607 9.816 1.00 0.00 C ATOM 1751 CG2 ILE A 109 -9.393 9.173 9.234 1.00 0.00 C ATOM 1752 CD1 ILE A 109 -8.365 12.687 10.510 1.00 0.00 C ATOM 0 H ILE A 109 -7.099 8.198 10.406 1.00 0.00 H new ATOM 0 HA ILE A 109 -7.621 10.718 11.734 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.589 10.308 9.202 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.350 11.908 8.785 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.140 11.520 10.300 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.681 9.458 8.222 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.866 8.219 9.206 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.286 9.076 9.851 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.911 13.630 10.467 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.204 12.408 11.551 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.402 12.802 10.012 1.00 0.00 H new ATOM 1764 N GLY A 110 -9.071 9.106 13.296 1.00 0.00 N ATOM 1765 CA GLY A 110 -10.156 8.678 14.132 1.00 0.00 C ATOM 1766 C GLY A 110 -10.432 7.204 13.987 1.00 0.00 C ATOM 1767 O GLY A 110 -9.528 6.376 14.099 1.00 0.00 O ATOM 0 H GLY A 110 -8.159 9.137 13.751 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.922 8.903 15.173 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.054 9.242 13.878 1.00 0.00 H new ATOM 1771 N ASP A 111 -11.684 6.878 13.727 1.00 0.00 N ATOM 1772 CA ASP A 111 -12.089 5.492 13.550 1.00 0.00 C ATOM 1773 C ASP A 111 -11.662 4.963 12.180 1.00 0.00 C ATOM 1774 O ASP A 111 -11.849 3.783 11.881 1.00 0.00 O ATOM 1775 CB ASP A 111 -13.603 5.356 13.713 1.00 0.00 C ATOM 1776 CG ASP A 111 -14.370 6.296 12.803 1.00 0.00 C ATOM 1777 OD1 ASP A 111 -14.468 7.496 13.136 1.00 0.00 O ATOM 1778 OD2 ASP A 111 -14.871 5.832 11.758 1.00 0.00 O ATOM 0 H ASP A 111 -12.442 7.554 13.633 1.00 0.00 H new ATOM 0 HA ASP A 111 -11.592 4.897 14.316 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.898 4.328 13.500 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.873 5.557 14.750 1.00 0.00 H new ATOM 1783 N GLU A 112 -11.088 5.834 11.346 1.00 0.00 N ATOM 1784 CA GLU A 112 -10.645 5.427 10.017 1.00 0.00 C ATOM 1785 C GLU A 112 -9.199 5.834 9.771 1.00 0.00 C ATOM 1786 O GLU A 112 -8.577 6.498 10.600 1.00 0.00 O ATOM 1787 CB GLU A 112 -11.543 6.041 8.944 1.00 0.00 C ATOM 1788 CG GLU A 112 -12.977 5.553 9.005 1.00 0.00 C ATOM 1789 CD GLU A 112 -13.701 5.698 7.681 1.00 0.00 C ATOM 1790 OE1 GLU A 112 -13.019 5.762 6.636 1.00 0.00 O ATOM 1791 OE2 GLU A 112 -14.949 5.745 7.688 1.00 0.00 O ATOM 0 H GLU A 112 -10.922 6.816 11.568 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.712 4.340 9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.532 7.126 9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.131 5.812 7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.988 4.506 9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.514 6.112 9.771 1.00 0.00 H new ATOM 1798 N LEU A 113 -8.672 5.429 8.622 1.00 0.00 N ATOM 1799 CA LEU A 113 -7.298 5.752 8.256 1.00 0.00 C ATOM 1800 C LEU A 113 -7.245 6.529 6.945 1.00 0.00 C ATOM 1801 O LEU A 113 -7.837 6.122 5.945 1.00 0.00 O ATOM 1802 CB LEU A 113 -6.462 4.474 8.135 1.00 0.00 C ATOM 1803 CG LEU A 113 -5.753 4.027 9.415 1.00 0.00 C ATOM 1804 CD1 LEU A 113 -4.461 4.807 9.609 1.00 0.00 C ATOM 1805 CD2 LEU A 113 -6.669 4.184 10.622 1.00 0.00 C ATOM 0 H LEU A 113 -9.175 4.876 7.928 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.883 6.379 9.045 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -7.112 3.666 7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.712 4.623 7.358 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.502 2.971 9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.970 4.476 10.524 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.800 4.634 8.760 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.686 5.871 9.682 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.145 3.860 11.521 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.957 5.230 10.727 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.562 3.574 10.483 1.00 0.00 H new ATOM 1817 N VAL A 114 -6.514 7.636 6.952 1.00 0.00 N ATOM 1818 CA VAL A 114 -6.359 8.459 5.758 1.00 0.00 C ATOM 1819 C VAL A 114 -4.969 8.254 5.167 1.00 0.00 C ATOM 1820 O VAL A 114 -3.971 8.691 5.739 1.00 0.00 O ATOM 1821 CB VAL A 114 -6.573 9.956 6.066 1.00 0.00 C ATOM 1822 CG1 VAL A 114 -5.619 10.425 7.156 1.00 0.00 C ATOM 1823 CG2 VAL A 114 -6.408 10.794 4.806 1.00 0.00 C ATOM 0 H VAL A 114 -6.018 7.986 7.772 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.119 8.150 5.040 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.592 10.086 6.429 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.788 11.483 7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.795 9.851 8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.590 10.278 6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -6.563 11.846 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.403 10.657 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -7.140 10.480 4.062 1.00 0.00 H new ATOM 1833 N GLN A 115 -4.910 7.565 4.034 1.00 0.00 N ATOM 1834 CA GLN A 115 -3.637 7.278 3.385 1.00 0.00 C ATOM 1835 C GLN A 115 -3.335 8.258 2.256 1.00 0.00 C ATOM 1836 O GLN A 115 -4.216 8.628 1.480 1.00 0.00 O ATOM 1837 CB GLN A 115 -3.635 5.848 2.844 1.00 0.00 C ATOM 1838 CG GLN A 115 -4.124 4.816 3.849 1.00 0.00 C ATOM 1839 CD GLN A 115 -4.933 3.709 3.202 1.00 0.00 C ATOM 1840 OE1 GLN A 115 -4.264 2.617 2.848 1.00 0.00 O flip ATOM 1841 NE2 GLN A 115 -6.144 3.832 3.023 1.00 0.00 N flip ATOM 0 H GLN A 115 -5.726 7.196 3.547 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.856 7.389 4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -4.264 5.804 1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -2.624 5.588 2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -3.267 4.381 4.364 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -4.733 5.311 4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -6.618 4.688 3.310 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -6.674 3.078 2.587 1.00 0.00 H new ATOM 1850 N THR A 116 -2.070 8.655 2.169 1.00 0.00 N ATOM 1851 CA THR A 116 -1.609 9.574 1.137 1.00 0.00 C ATOM 1852 C THR A 116 -0.277 9.093 0.579 1.00 0.00 C ATOM 1853 O THR A 116 0.729 9.064 1.287 1.00 0.00 O ATOM 1854 CB THR A 116 -1.463 10.987 1.701 1.00 0.00 C ATOM 1855 OG1 THR A 116 -2.357 11.193 2.780 1.00 0.00 O ATOM 1856 CG2 THR A 116 -1.720 12.072 0.677 1.00 0.00 C ATOM 0 H THR A 116 -1.338 8.349 2.810 1.00 0.00 H new ATOM 0 HA THR A 116 -2.347 9.599 0.335 1.00 0.00 H new ATOM 0 HB THR A 116 -0.426 11.059 2.029 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.246 12.103 3.128 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.599 13.049 1.144 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.010 11.973 -0.144 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.736 11.976 0.293 1.00 0.00 H new ATOM 1864 N TYR A 117 -0.278 8.708 -0.690 1.00 0.00 N ATOM 1865 CA TYR A 117 0.928 8.220 -1.336 1.00 0.00 C ATOM 1866 C TYR A 117 1.366 9.172 -2.440 1.00 0.00 C ATOM 1867 O TYR A 117 0.534 9.820 -3.073 1.00 0.00 O ATOM 1868 CB TYR A 117 0.692 6.828 -1.936 1.00 0.00 C ATOM 1869 CG TYR A 117 -0.027 5.851 -1.025 1.00 0.00 C ATOM 1870 CD1 TYR A 117 -1.340 6.071 -0.617 1.00 0.00 C ATOM 1871 CD2 TYR A 117 0.607 4.696 -0.586 1.00 0.00 C ATOM 1872 CE1 TYR A 117 -1.992 5.172 0.202 1.00 0.00 C ATOM 1873 CE2 TYR A 117 -0.041 3.791 0.233 1.00 0.00 C ATOM 1874 CZ TYR A 117 -1.340 4.034 0.624 1.00 0.00 C ATOM 1875 OH TYR A 117 -1.989 3.135 1.439 1.00 0.00 O ATOM 0 H TYR A 117 -1.102 8.725 -1.291 1.00 0.00 H new ATOM 0 HA TYR A 117 1.711 8.159 -0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.115 6.938 -2.854 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.655 6.401 -2.214 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -1.857 6.960 -0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.625 4.502 -0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -3.010 5.360 0.511 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.468 2.898 0.565 1.00 0.00 H new ATOM 0 HH TYR A 117 -2.913 3.430 1.581 1.00 0.00 H new ATOM 1885 N VAL A 118 2.670 9.236 -2.682 1.00 0.00 N ATOM 1886 CA VAL A 118 3.208 10.087 -3.725 1.00 0.00 C ATOM 1887 C VAL A 118 4.328 9.375 -4.474 1.00 0.00 C ATOM 1888 O VAL A 118 5.109 8.631 -3.883 1.00 0.00 O ATOM 1889 CB VAL A 118 3.734 11.425 -3.171 1.00 0.00 C ATOM 1890 CG1 VAL A 118 5.020 11.226 -2.382 1.00 0.00 C ATOM 1891 CG2 VAL A 118 3.943 12.408 -4.312 1.00 0.00 C ATOM 0 H VAL A 118 3.372 8.706 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 118 2.387 10.303 -4.409 1.00 0.00 H new ATOM 0 HB VAL A 118 2.991 11.834 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.367 12.187 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.833 10.553 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.782 10.795 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 118 4.315 13.353 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.668 12.000 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.996 12.578 -4.824 1.00 0.00 H new ATOM 1901 N TYR A 119 4.392 9.606 -5.775 1.00 0.00 N ATOM 1902 CA TYR A 119 5.405 8.989 -6.617 1.00 0.00 C ATOM 1903 C TYR A 119 5.643 9.839 -7.855 1.00 0.00 C ATOM 1904 O TYR A 119 4.832 9.847 -8.781 1.00 0.00 O ATOM 1905 CB TYR A 119 4.975 7.575 -6.991 1.00 0.00 C ATOM 1906 CG TYR A 119 5.829 6.930 -8.051 1.00 0.00 C ATOM 1907 CD1 TYR A 119 7.059 6.378 -7.739 1.00 0.00 C ATOM 1908 CD2 TYR A 119 5.394 6.867 -9.358 1.00 0.00 C ATOM 1909 CE1 TYR A 119 7.836 5.777 -8.708 1.00 0.00 C ATOM 1910 CE2 TYR A 119 6.160 6.267 -10.339 1.00 0.00 C ATOM 1911 CZ TYR A 119 7.381 5.723 -10.009 1.00 0.00 C ATOM 1912 OH TYR A 119 8.149 5.126 -10.981 1.00 0.00 O ATOM 0 H TYR A 119 3.749 10.221 -6.274 1.00 0.00 H new ATOM 0 HA TYR A 119 6.344 8.925 -6.068 1.00 0.00 H new ATOM 0 HB2 TYR A 119 4.994 6.953 -6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 119 3.942 7.601 -7.339 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.417 6.418 -6.721 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.437 7.294 -9.620 1.00 0.00 H new ATOM 0 HE1 TYR A 119 8.794 5.352 -8.449 1.00 0.00 H new ATOM 0 HE2 TYR A 119 5.803 6.225 -11.358 1.00 0.00 H new ATOM 0 HH TYR A 119 7.851 5.428 -11.865 1.00 0.00 H new ATOM 1922 N GLU A 120 6.764 10.560 -7.847 1.00 0.00 N ATOM 1923 CA GLU A 120 7.148 11.447 -8.946 1.00 0.00 C ATOM 1924 C GLU A 120 5.940 11.946 -9.734 1.00 0.00 C ATOM 1925 O GLU A 120 5.546 11.346 -10.734 1.00 0.00 O ATOM 1926 CB GLU A 120 8.120 10.727 -9.878 1.00 0.00 C ATOM 1927 CG GLU A 120 9.072 9.798 -9.146 1.00 0.00 C ATOM 1928 CD GLU A 120 9.793 10.486 -8.002 1.00 0.00 C ATOM 1929 OE1 GLU A 120 9.187 10.631 -6.920 1.00 0.00 O ATOM 1930 OE2 GLU A 120 10.963 10.881 -8.190 1.00 0.00 O ATOM 0 H GLU A 120 7.433 10.546 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 120 7.633 12.320 -8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.553 10.152 -10.610 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.698 11.467 -10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.515 8.944 -8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.806 9.407 -9.851 1.00 0.00 H new ATOM 1937 N GLY A 121 5.368 13.058 -9.284 1.00 0.00 N ATOM 1938 CA GLY A 121 4.225 13.636 -9.964 1.00 0.00 C ATOM 1939 C GLY A 121 2.905 12.940 -9.671 1.00 0.00 C ATOM 1940 O GLY A 121 1.841 13.513 -9.902 1.00 0.00 O ATOM 0 H GLY A 121 5.677 13.570 -8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 121 4.140 14.685 -9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 121 4.405 13.610 -11.039 1.00 0.00 H new ATOM 1944 N VAL A 122 2.960 11.702 -9.191 1.00 0.00 N ATOM 1945 CA VAL A 122 1.743 10.949 -8.909 1.00 0.00 C ATOM 1946 C VAL A 122 1.476 10.811 -7.413 1.00 0.00 C ATOM 1947 O VAL A 122 2.149 10.054 -6.718 1.00 0.00 O ATOM 1948 CB VAL A 122 1.808 9.551 -9.557 1.00 0.00 C ATOM 1949 CG1 VAL A 122 0.677 8.658 -9.090 1.00 0.00 C ATOM 1950 CG2 VAL A 122 1.794 9.682 -11.068 1.00 0.00 C ATOM 0 H VAL A 122 3.826 11.202 -8.990 1.00 0.00 H new ATOM 0 HA VAL A 122 0.917 11.515 -9.341 1.00 0.00 H new ATOM 0 HB VAL A 122 2.740 9.080 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.761 7.683 -9.571 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.733 8.535 -8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.278 9.112 -9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.840 8.691 -11.520 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.877 10.181 -11.381 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.655 10.268 -11.390 1.00 0.00 H new ATOM 1960 N GLU A 123 0.462 11.523 -6.937 1.00 0.00 N ATOM 1961 CA GLU A 123 0.073 11.461 -5.537 1.00 0.00 C ATOM 1962 C GLU A 123 -1.331 10.882 -5.418 1.00 0.00 C ATOM 1963 O GLU A 123 -2.293 11.454 -5.932 1.00 0.00 O ATOM 1964 CB GLU A 123 0.131 12.848 -4.894 1.00 0.00 C ATOM 1965 CG GLU A 123 0.647 12.835 -3.461 1.00 0.00 C ATOM 1966 CD GLU A 123 1.637 13.950 -3.184 1.00 0.00 C ATOM 1967 OE1 GLU A 123 1.766 14.856 -4.035 1.00 0.00 O ATOM 1968 OE2 GLU A 123 2.283 13.918 -2.116 1.00 0.00 O ATOM 0 H GLU A 123 -0.107 12.152 -7.504 1.00 0.00 H new ATOM 0 HA GLU A 123 0.774 10.814 -5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.772 13.492 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -0.866 13.288 -4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.196 12.924 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.122 11.875 -3.259 1.00 0.00 H new ATOM 1975 N ALA A 124 -1.445 9.739 -4.751 1.00 0.00 N ATOM 1976 CA ALA A 124 -2.735 9.084 -4.585 1.00 0.00 C ATOM 1977 C ALA A 124 -3.097 8.955 -3.115 1.00 0.00 C ATOM 1978 O ALA A 124 -2.269 8.581 -2.293 1.00 0.00 O ATOM 1979 CB ALA A 124 -2.729 7.712 -5.262 1.00 0.00 C ATOM 0 H ALA A 124 -0.662 9.249 -4.318 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.494 9.703 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.700 7.236 -5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.527 7.832 -6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -1.955 7.089 -4.814 1.00 0.00 H new ATOM 1985 N LYS A 125 -4.347 9.262 -2.796 1.00 0.00 N ATOM 1986 CA LYS A 125 -4.833 9.178 -1.426 1.00 0.00 C ATOM 1987 C LYS A 125 -5.755 7.978 -1.294 1.00 0.00 C ATOM 1988 O LYS A 125 -6.187 7.415 -2.299 1.00 0.00 O ATOM 1989 CB LYS A 125 -5.576 10.461 -1.042 1.00 0.00 C ATOM 1990 CG LYS A 125 -4.806 11.341 -0.070 1.00 0.00 C ATOM 1991 CD LYS A 125 -4.639 12.755 -0.605 1.00 0.00 C ATOM 1992 CE LYS A 125 -3.749 12.782 -1.837 1.00 0.00 C ATOM 1993 NZ LYS A 125 -4.173 13.832 -2.805 1.00 0.00 N ATOM 0 H LYS A 125 -5.046 9.573 -3.471 1.00 0.00 H new ATOM 0 HA LYS A 125 -3.985 9.060 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -5.789 11.032 -1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -6.536 10.196 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -5.329 11.373 0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -3.825 10.904 0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -5.616 13.170 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -4.209 13.390 0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.717 12.961 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.774 11.807 -2.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.541 13.818 -3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -5.149 13.647 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -4.125 14.765 -2.348 1.00 0.00 H new ATOM 2007 N ARG A 126 -6.043 7.566 -0.067 1.00 0.00 N ATOM 2008 CA ARG A 126 -6.899 6.409 0.131 1.00 0.00 C ATOM 2009 C ARG A 126 -7.512 6.365 1.526 1.00 0.00 C ATOM 2010 O ARG A 126 -6.811 6.176 2.520 1.00 0.00 O ATOM 2011 CB ARG A 126 -6.089 5.136 -0.124 1.00 0.00 C ATOM 2012 CG ARG A 126 -6.905 3.856 -0.031 1.00 0.00 C ATOM 2013 CD ARG A 126 -6.602 2.913 -1.188 1.00 0.00 C ATOM 2014 NE ARG A 126 -5.185 2.916 -1.547 1.00 0.00 N ATOM 2015 CZ ARG A 126 -4.254 2.212 -0.906 1.00 0.00 C ATOM 2016 NH1 ARG A 126 -4.582 1.451 0.131 1.00 0.00 N ATOM 2017 NH2 ARG A 126 -2.990 2.271 -1.301 1.00 0.00 N ATOM 0 H ARG A 126 -5.704 8.006 0.789 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.726 6.483 -0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.638 5.196 -1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.272 5.087 0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -6.691 3.355 0.913 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -7.967 4.100 -0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -6.904 1.901 -0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -7.195 3.203 -2.055 1.00 0.00 H new ATOM 0 HE ARG A 126 -4.892 3.492 -2.336 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.552 1.403 0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.864 0.914 0.617 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -2.731 2.856 -2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -2.277 1.732 -0.810 1.00 0.00 H new ATOM 2031 N ILE A 127 -8.835 6.499 1.583 1.00 0.00 N ATOM 2032 CA ILE A 127 -9.555 6.429 2.846 1.00 0.00 C ATOM 2033 C ILE A 127 -9.747 4.968 3.219 1.00 0.00 C ATOM 2034 O ILE A 127 -10.016 4.133 2.353 1.00 0.00 O ATOM 2035 CB ILE A 127 -10.933 7.119 2.781 1.00 0.00 C ATOM 2036 CG1 ILE A 127 -10.888 8.343 1.862 1.00 0.00 C ATOM 2037 CG2 ILE A 127 -11.386 7.519 4.178 1.00 0.00 C ATOM 2038 CD1 ILE A 127 -9.839 9.353 2.248 1.00 0.00 C ATOM 0 H ILE A 127 -9.428 6.657 0.768 1.00 0.00 H new ATOM 0 HA ILE A 127 -8.963 6.954 3.595 1.00 0.00 H new ATOM 0 HB ILE A 127 -11.652 6.412 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -10.702 8.012 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -11.865 8.827 1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -12.360 8.005 4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -11.461 6.630 4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -10.662 8.209 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -9.867 10.191 1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -10.035 9.713 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -8.855 8.886 2.214 1.00 0.00 H new ATOM 2050 N PHE A 128 -9.574 4.649 4.490 1.00 0.00 N ATOM 2051 CA PHE A 128 -9.692 3.270 4.934 1.00 0.00 C ATOM 2052 C PHE A 128 -10.829 3.058 5.933 1.00 0.00 C ATOM 2053 O PHE A 128 -11.238 3.974 6.647 1.00 0.00 O ATOM 2054 CB PHE A 128 -8.366 2.823 5.553 1.00 0.00 C ATOM 2055 CG PHE A 128 -8.486 1.585 6.387 1.00 0.00 C ATOM 2056 CD1 PHE A 128 -8.527 0.342 5.789 1.00 0.00 C ATOM 2057 CD2 PHE A 128 -8.578 1.665 7.768 1.00 0.00 C ATOM 2058 CE1 PHE A 128 -8.655 -0.790 6.544 1.00 0.00 C ATOM 2059 CE2 PHE A 128 -8.701 0.522 8.530 1.00 0.00 C ATOM 2060 CZ PHE A 128 -8.741 -0.707 7.916 1.00 0.00 C ATOM 0 H PHE A 128 -9.353 5.319 5.227 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.929 2.667 4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.643 2.647 4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -7.971 3.630 6.169 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -8.457 0.263 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -8.553 2.631 8.251 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -8.689 -1.756 6.062 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -8.766 0.592 9.606 1.00 0.00 H new ATOM 0 HZ PHE A 128 -8.840 -1.605 8.508 1.00 0.00 H new ATOM 2070 N LYS A 129 -11.302 1.815 5.980 1.00 0.00 N ATOM 2071 CA LYS A 129 -12.364 1.403 6.891 1.00 0.00 C ATOM 2072 C LYS A 129 -12.078 -0.005 7.388 1.00 0.00 C ATOM 2073 O LYS A 129 -11.291 -0.731 6.786 1.00 0.00 O ATOM 2074 CB LYS A 129 -13.727 1.442 6.202 1.00 0.00 C ATOM 2075 CG LYS A 129 -14.115 2.820 5.696 1.00 0.00 C ATOM 2076 CD LYS A 129 -15.540 2.838 5.169 1.00 0.00 C ATOM 2077 CE LYS A 129 -15.937 4.223 4.685 1.00 0.00 C ATOM 2078 NZ LYS A 129 -16.574 5.027 5.765 1.00 0.00 N ATOM 0 H LYS A 129 -10.957 1.063 5.384 1.00 0.00 H new ATOM 0 HA LYS A 129 -12.391 2.097 7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -13.721 0.745 5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -14.488 1.094 6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -14.015 3.547 6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -13.429 3.125 4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -15.636 2.124 4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -16.224 2.516 5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -15.054 4.745 4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -16.627 4.131 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -17.124 5.802 5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -17.205 4.419 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -15.838 5.423 6.383 1.00 0.00 H new ATOM 2092 N LYS A 130 -12.704 -0.394 8.484 1.00 0.00 N ATOM 2093 CA LYS A 130 -12.483 -1.724 9.034 1.00 0.00 C ATOM 2094 C LYS A 130 -13.697 -2.622 8.838 1.00 0.00 C ATOM 2095 O LYS A 130 -14.833 -2.152 8.776 1.00 0.00 O ATOM 2096 CB LYS A 130 -12.125 -1.644 10.513 1.00 0.00 C ATOM 2097 CG LYS A 130 -11.200 -0.489 10.860 1.00 0.00 C ATOM 2098 CD LYS A 130 -10.815 -0.505 12.330 1.00 0.00 C ATOM 2099 CE LYS A 130 -10.067 -1.776 12.696 1.00 0.00 C ATOM 2100 NZ LYS A 130 -9.546 -1.733 14.091 1.00 0.00 N ATOM 0 H LYS A 130 -13.363 0.183 9.008 1.00 0.00 H new ATOM 0 HA LYS A 130 -11.647 -2.164 8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -13.042 -1.550 11.094 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -11.652 -2.579 10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -10.301 -0.545 10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -11.690 0.455 10.622 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -10.193 0.362 12.554 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -11.712 -0.420 12.943 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -10.731 -2.633 12.583 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -9.238 -1.921 12.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -9.042 -2.618 14.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -8.892 -0.930 14.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -10.339 -1.620 14.754 1.00 0.00 H new ATOM 2114 N ASP A 131 -13.440 -3.921 8.744 1.00 0.00 N ATOM 2115 CA ASP A 131 -14.497 -4.905 8.556 1.00 0.00 C ATOM 2116 C ASP A 131 -15.398 -4.979 9.785 1.00 0.00 C ATOM 2117 O ASP A 131 -16.627 -4.820 9.627 1.00 0.35 O ATOM 2118 CB ASP A 131 -13.886 -6.276 8.272 1.00 0.00 C ATOM 2119 CG ASP A 131 -14.819 -7.175 7.485 1.00 0.00 C ATOM 2120 OD1 ASP A 131 -14.835 -7.070 6.240 1.00 0.00 O ATOM 2121 OD2 ASP A 131 -15.532 -7.985 8.113 1.00 0.00 O ATOM 2122 OXT ASP A 131 -14.867 -5.196 10.895 1.00 0.35 O ATOM 0 H ASP A 131 -12.502 -4.319 8.795 1.00 0.00 H new ATOM 0 HA ASP A 131 -15.105 -4.598 7.705 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.956 -6.148 7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.631 -6.759 9.215 1.00 0.00 H new