USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 576 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 40 LYS NZ :NH3+ 135:sc= 1.16 (180deg=-0.166) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.303 K(o=0.86,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 21:sc= 0.984 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.0614 (180deg=-0.444) USER MOD Single : A 9 ASN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0568) USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= -0.674 (180deg=-1.67!) USER MOD Single : A 17 HIS : no HD1:sc= -1.07! C(o=-1.1!,f=-4!) USER MOD Single : A 19 THR OG1 : rot -11:sc= 0.666 USER MOD Single : A 20 ASN : amide:sc= -0.465 K(o=-0.47,f=-1.5!) USER MOD Single : A 22 MET CE :methyl -153:sc= -1.14 (180deg=-3.11) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.28) USER MOD Single : A 29 HIS : no HD1:sc= -6.06 X(o=-6.1,f=-5.8!) USER MOD Single : A 32 HIS : no HD1:sc= -11.6! C(o=-12!,f=-13!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0963 K(o=-0.096,f=-2!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -65:sc= 0.326 USER MOD Single : A 48 ASN : amide:sc= -0.882 X(o=-0.88,f=-0.92) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00596 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.189 F(o=-0.77,f=-0.19) USER MOD Single : A 60 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.8!) USER MOD Single : A 67 GLN : amide:sc= -0.0104 X(o=-0.01,f=-0.45) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.074 -13.037 21.557 1.00 0.00 N ATOM 2 CA GLY A 1 4.735 -11.906 22.181 1.00 0.00 C ATOM 3 C GLY A 1 6.217 -12.145 22.394 1.00 0.00 C ATOM 4 O GLY A 1 6.685 -12.207 23.530 1.00 0.00 O ATOM 0 H1 GLY A 1 3.064 -12.824 21.433 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.505 -13.222 20.629 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.179 -13.877 22.161 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.599 -11.021 21.559 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.262 -11.697 23.141 1.00 0.00 H new ATOM 8 N SER A 2 6.956 -12.282 21.298 1.00 0.00 N ATOM 9 CA SER A 2 8.392 -12.522 21.370 1.00 0.00 C ATOM 10 C SER A 2 9.172 -11.282 20.942 1.00 0.00 C ATOM 11 O SER A 2 9.040 -10.811 19.813 1.00 0.00 O ATOM 12 CB SER A 2 8.778 -13.710 20.486 1.00 0.00 C ATOM 13 OG SER A 2 10.181 -13.909 20.482 1.00 0.00 O ATOM 0 H SER A 2 6.584 -12.231 20.350 1.00 0.00 H new ATOM 0 HA SER A 2 8.645 -12.751 22.405 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.281 -14.611 20.845 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.429 -13.538 19.468 1.00 0.00 H new ATOM 0 HG SER A 2 10.401 -14.675 19.911 1.00 0.00 H new ATOM 19 N SER A 3 9.985 -10.758 21.855 1.00 0.00 N ATOM 20 CA SER A 3 10.783 -9.571 21.575 1.00 0.00 C ATOM 21 C SER A 3 11.915 -9.426 22.588 1.00 0.00 C ATOM 22 O SER A 3 11.760 -9.764 23.761 1.00 0.00 O ATOM 23 CB SER A 3 9.902 -8.320 21.596 1.00 0.00 C ATOM 24 OG SER A 3 10.684 -7.143 21.502 1.00 0.00 O ATOM 0 H SER A 3 10.108 -11.137 22.794 1.00 0.00 H new ATOM 0 HA SER A 3 11.218 -9.683 20.582 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.194 -8.357 20.768 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.317 -8.299 22.515 1.00 0.00 H new ATOM 0 HG SER A 3 10.097 -6.358 21.516 1.00 0.00 H new ATOM 30 N GLY A 4 13.054 -8.919 22.126 1.00 0.00 N ATOM 31 CA GLY A 4 14.196 -8.738 23.003 1.00 0.00 C ATOM 32 C GLY A 4 14.941 -7.448 22.726 1.00 0.00 C ATOM 33 O GLY A 4 14.709 -6.435 23.384 1.00 0.00 O ATOM 0 H GLY A 4 13.206 -8.630 21.160 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.859 -8.744 24.039 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.878 -9.580 22.885 1.00 0.00 H new ATOM 37 N SER A 5 15.842 -7.486 21.749 1.00 0.00 N ATOM 38 CA SER A 5 16.629 -6.312 21.389 1.00 0.00 C ATOM 39 C SER A 5 17.084 -6.388 19.935 1.00 0.00 C ATOM 40 O SER A 5 17.850 -7.275 19.558 1.00 0.00 O ATOM 41 CB SER A 5 17.845 -6.186 22.309 1.00 0.00 C ATOM 42 OG SER A 5 18.803 -7.192 22.031 1.00 0.00 O ATOM 0 H SER A 5 16.045 -8.317 21.193 1.00 0.00 H new ATOM 0 HA SER A 5 15.998 -5.431 21.509 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.299 -5.203 22.184 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.527 -6.260 23.349 1.00 0.00 H new ATOM 0 HG SER A 5 18.663 -7.536 21.124 1.00 0.00 H new ATOM 48 N SER A 6 16.606 -5.451 19.123 1.00 0.00 N ATOM 49 CA SER A 6 16.959 -5.412 17.708 1.00 0.00 C ATOM 50 C SER A 6 17.120 -3.973 17.228 1.00 0.00 C ATOM 51 O SER A 6 16.582 -3.043 17.826 1.00 0.00 O ATOM 52 CB SER A 6 15.891 -6.124 16.875 1.00 0.00 C ATOM 53 OG SER A 6 14.721 -5.333 16.763 1.00 0.00 O ATOM 0 H SER A 6 15.973 -4.708 19.420 1.00 0.00 H new ATOM 0 HA SER A 6 17.911 -5.927 17.581 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.284 -6.340 15.882 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.644 -7.081 17.335 1.00 0.00 H new ATOM 0 HG SER A 6 14.055 -5.809 16.225 1.00 0.00 H new ATOM 59 N GLY A 7 17.866 -3.799 16.141 1.00 0.00 N ATOM 60 CA GLY A 7 18.086 -2.471 15.597 1.00 0.00 C ATOM 61 C GLY A 7 18.403 -2.497 14.115 1.00 0.00 C ATOM 62 O GLY A 7 19.441 -1.992 13.686 1.00 0.00 O ATOM 0 H GLY A 7 18.322 -4.553 15.628 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.198 -1.861 15.765 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.907 -1.994 16.133 1.00 0.00 H new ATOM 66 N LYS A 8 17.509 -3.088 13.330 1.00 0.00 N ATOM 67 CA LYS A 8 17.698 -3.179 11.887 1.00 0.00 C ATOM 68 C LYS A 8 16.452 -2.707 11.145 1.00 0.00 C ATOM 69 O LYS A 8 15.524 -3.481 10.916 1.00 0.00 O ATOM 70 CB LYS A 8 18.029 -4.618 11.485 1.00 0.00 C ATOM 71 CG LYS A 8 19.450 -5.033 11.828 1.00 0.00 C ATOM 72 CD LYS A 8 19.969 -6.089 10.867 1.00 0.00 C ATOM 73 CE LYS A 8 21.475 -6.263 10.990 1.00 0.00 C ATOM 74 NZ LYS A 8 22.211 -5.039 10.567 1.00 0.00 N ATOM 0 H LYS A 8 16.645 -3.512 13.669 1.00 0.00 H new ATOM 0 HA LYS A 8 18.531 -2.531 11.613 1.00 0.00 H new ATOM 0 HB2 LYS A 8 17.332 -5.294 11.980 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.875 -4.731 10.412 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.102 -4.160 11.798 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.481 -5.420 12.847 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.474 -7.039 11.067 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.717 -5.808 9.845 1.00 0.00 H new ATOM 0 HE2 LYS A 8 21.730 -6.501 12.023 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.794 -7.108 10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.190 -5.290 10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.743 -4.622 9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.214 -4.349 11.345 1.00 0.00 H new ATOM 88 N ASN A 9 16.439 -1.432 10.770 1.00 0.00 N ATOM 89 CA ASN A 9 15.307 -0.857 10.052 1.00 0.00 C ATOM 90 C ASN A 9 15.511 -0.960 8.543 1.00 0.00 C ATOM 91 O ASN A 9 16.304 -0.219 7.961 1.00 0.00 O ATOM 92 CB ASN A 9 15.112 0.606 10.453 1.00 0.00 C ATOM 93 CG ASN A 9 14.284 0.754 11.715 1.00 0.00 C ATOM 94 OD1 ASN A 9 14.791 1.168 12.758 1.00 0.00 O ATOM 95 ND2 ASN A 9 13.004 0.414 11.626 1.00 0.00 N ATOM 0 H ASN A 9 17.200 -0.777 10.951 1.00 0.00 H new ATOM 0 HA ASN A 9 14.414 -1.422 10.319 1.00 0.00 H new ATOM 0 HB2 ASN A 9 16.086 1.071 10.604 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.626 1.142 9.638 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.398 0.491 12.443 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.627 0.076 10.741 1.00 0.00 H new ATOM 102 N LYS A 10 14.790 -1.882 7.915 1.00 0.00 N ATOM 103 CA LYS A 10 14.889 -2.082 6.474 1.00 0.00 C ATOM 104 C LYS A 10 14.982 -0.745 5.745 1.00 0.00 C ATOM 105 O LYS A 10 13.987 -0.034 5.605 1.00 0.00 O ATOM 106 CB LYS A 10 13.681 -2.871 5.964 1.00 0.00 C ATOM 107 CG LYS A 10 13.881 -4.376 5.995 1.00 0.00 C ATOM 108 CD LYS A 10 13.549 -4.955 7.360 1.00 0.00 C ATOM 109 CE LYS A 10 14.022 -6.395 7.486 1.00 0.00 C ATOM 110 NZ LYS A 10 15.501 -6.481 7.642 1.00 0.00 N ATOM 0 H LYS A 10 14.130 -2.504 8.382 1.00 0.00 H new ATOM 0 HA LYS A 10 15.797 -2.650 6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.810 -2.616 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.462 -2.563 4.942 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.251 -4.843 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.914 -4.612 5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.015 -4.349 8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 10 12.472 -4.909 7.523 1.00 0.00 H new ATOM 0 HE2 LYS A 10 13.538 -6.862 8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.717 -6.956 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.766 -7.450 7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.960 -6.232 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 15.811 -5.820 8.383 1.00 0.00 H new ATOM 124 N ARG A 11 16.182 -0.411 5.282 1.00 0.00 N ATOM 125 CA ARG A 11 16.403 0.840 4.567 1.00 0.00 C ATOM 126 C ARG A 11 15.831 0.767 3.154 1.00 0.00 C ATOM 127 O ARG A 11 15.612 -0.318 2.617 1.00 0.00 O ATOM 128 CB ARG A 11 17.898 1.160 4.507 1.00 0.00 C ATOM 129 CG ARG A 11 18.681 0.243 3.583 1.00 0.00 C ATOM 130 CD ARG A 11 19.186 -0.989 4.318 1.00 0.00 C ATOM 131 NE ARG A 11 20.431 -1.495 3.747 1.00 0.00 N ATOM 132 CZ ARG A 11 20.866 -2.739 3.917 1.00 0.00 C ATOM 133 NH1 ARG A 11 20.159 -3.599 4.637 1.00 0.00 N ATOM 134 NH2 ARG A 11 22.009 -3.125 3.365 1.00 0.00 N ATOM 0 H ARG A 11 17.016 -0.989 5.389 1.00 0.00 H new ATOM 0 HA ARG A 11 15.889 1.635 5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 11 18.027 2.191 4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 11 18.316 1.092 5.511 1.00 0.00 H new ATOM 0 HG2 ARG A 11 18.048 -0.063 2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 11 19.525 0.787 3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 11 19.342 -0.746 5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 11 18.426 -1.770 4.281 1.00 0.00 H new ATOM 0 HE ARG A 11 20.998 -0.859 3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.279 -3.306 5.062 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.495 -4.553 4.766 1.00 0.00 H new ATOM 0 HH21 ARG A 11 22.555 -2.467 2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 11 22.342 -4.080 3.496 1.00 0.00 H new ATOM 148 N GLY A 12 15.590 1.931 2.558 1.00 0.00 N ATOM 149 CA GLY A 12 15.045 1.977 1.214 1.00 0.00 C ATOM 150 C GLY A 12 13.556 2.263 1.201 1.00 0.00 C ATOM 151 O GLY A 12 12.791 1.639 1.936 1.00 0.00 O ATOM 0 H GLY A 12 15.762 2.843 2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.564 2.745 0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 12 15.233 1.026 0.716 1.00 0.00 H new ATOM 155 N VAL A 13 13.144 3.210 0.365 1.00 0.00 N ATOM 156 CA VAL A 13 11.737 3.578 0.261 1.00 0.00 C ATOM 157 C VAL A 13 11.012 2.695 -0.749 1.00 0.00 C ATOM 158 O VAL A 13 11.634 1.903 -1.458 1.00 0.00 O ATOM 159 CB VAL A 13 11.571 5.053 -0.151 1.00 0.00 C ATOM 160 CG1 VAL A 13 12.173 5.972 0.901 1.00 0.00 C ATOM 161 CG2 VAL A 13 12.205 5.300 -1.512 1.00 0.00 C ATOM 0 H VAL A 13 13.764 3.736 -0.250 1.00 0.00 H new ATOM 0 HA VAL A 13 11.298 3.433 1.248 1.00 0.00 H new ATOM 0 HB VAL A 13 10.506 5.274 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.046 7.010 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.669 5.813 1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.235 5.753 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.079 6.347 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.268 5.062 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.723 4.668 -2.258 1.00 0.00 H new ATOM 171 N LEU A 14 9.692 2.837 -0.810 1.00 0.00 N ATOM 172 CA LEU A 14 8.881 2.052 -1.734 1.00 0.00 C ATOM 173 C LEU A 14 8.405 2.909 -2.904 1.00 0.00 C ATOM 174 O LEU A 14 8.346 4.136 -2.822 1.00 0.00 O ATOM 175 CB LEU A 14 7.677 1.453 -1.004 1.00 0.00 C ATOM 176 CG LEU A 14 7.943 0.173 -0.211 1.00 0.00 C ATOM 177 CD1 LEU A 14 6.759 -0.155 0.686 1.00 0.00 C ATOM 178 CD2 LEU A 14 8.238 -0.986 -1.152 1.00 0.00 C ATOM 0 H LEU A 14 9.161 3.488 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 14 9.500 1.245 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.281 2.204 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.898 1.247 -1.738 1.00 0.00 H new ATOM 0 HG LEU A 14 8.817 0.334 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.966 -1.069 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.593 0.665 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.868 -0.297 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.425 -1.889 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.383 -1.148 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.118 -0.753 -1.752 1.00 0.00 H new ATOM 190 N PRO A 15 8.056 2.248 -4.018 1.00 0.00 N ATOM 191 CA PRO A 15 7.578 2.929 -5.224 1.00 0.00 C ATOM 192 C PRO A 15 6.193 3.539 -5.035 1.00 0.00 C ATOM 193 O PRO A 15 5.379 3.030 -4.264 1.00 0.00 O ATOM 194 CB PRO A 15 7.530 1.810 -6.268 1.00 0.00 C ATOM 195 CG PRO A 15 7.364 0.560 -5.475 1.00 0.00 C ATOM 196 CD PRO A 15 8.102 0.786 -4.185 1.00 0.00 C ATOM 0 HA PRO A 15 8.221 3.764 -5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.702 1.951 -6.962 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.443 1.784 -6.862 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.310 0.352 -5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.769 -0.299 -6.011 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.623 0.271 -3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.127 0.420 -4.239 1.00 0.00 H new ATOM 204 N LYS A 16 5.932 4.633 -5.742 1.00 0.00 N ATOM 205 CA LYS A 16 4.645 5.313 -5.654 1.00 0.00 C ATOM 206 C LYS A 16 3.497 4.336 -5.889 1.00 0.00 C ATOM 207 O LYS A 16 2.502 4.347 -5.163 1.00 0.00 O ATOM 208 CB LYS A 16 4.576 6.452 -6.673 1.00 0.00 C ATOM 209 CG LYS A 16 3.253 7.199 -6.662 1.00 0.00 C ATOM 210 CD LYS A 16 3.346 8.509 -7.426 1.00 0.00 C ATOM 211 CE LYS A 16 3.767 9.655 -6.519 1.00 0.00 C ATOM 212 NZ LYS A 16 5.210 9.574 -6.158 1.00 0.00 N ATOM 0 H LYS A 16 6.595 5.068 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 16 4.548 5.726 -4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.383 7.157 -6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.747 6.047 -7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.477 6.573 -7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.955 7.397 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.063 8.406 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.381 8.737 -7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.570 10.604 -7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.164 9.640 -5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.554 10.518 -5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.332 8.920 -5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.753 9.227 -6.974 1.00 0.00 H new ATOM 226 N HIS A 17 3.642 3.493 -6.906 1.00 0.00 N ATOM 227 CA HIS A 17 2.617 2.508 -7.234 1.00 0.00 C ATOM 228 C HIS A 17 2.257 1.670 -6.012 1.00 0.00 C ATOM 229 O HIS A 17 1.082 1.504 -5.685 1.00 0.00 O ATOM 230 CB HIS A 17 3.097 1.600 -8.367 1.00 0.00 C ATOM 231 CG HIS A 17 2.173 0.455 -8.649 1.00 0.00 C ATOM 232 ND1 HIS A 17 0.800 0.577 -8.641 1.00 0.00 N ATOM 233 CD2 HIS A 17 2.433 -0.839 -8.949 1.00 0.00 C ATOM 234 CE1 HIS A 17 0.255 -0.593 -8.923 1.00 0.00 C ATOM 235 NE2 HIS A 17 1.224 -1.469 -9.115 1.00 0.00 N ATOM 0 H HIS A 17 4.458 3.472 -7.517 1.00 0.00 H new ATOM 0 HA HIS A 17 1.725 3.043 -7.560 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.213 2.194 -9.273 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.082 1.208 -8.115 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.409 -1.292 -9.041 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.803 -0.798 -8.986 1.00 0.00 H new ATOM 0 HE2 HIS A 17 1.096 -2.454 -9.349 1.00 0.00 H new ATOM 244 N ALA A 18 3.276 1.143 -5.340 1.00 0.00 N ATOM 245 CA ALA A 18 3.066 0.324 -4.153 1.00 0.00 C ATOM 246 C ALA A 18 2.382 1.122 -3.049 1.00 0.00 C ATOM 247 O ALA A 18 1.365 0.697 -2.500 1.00 0.00 O ATOM 248 CB ALA A 18 4.392 -0.237 -3.659 1.00 0.00 C ATOM 0 H ALA A 18 4.255 1.269 -5.598 1.00 0.00 H new ATOM 0 HA ALA A 18 2.411 -0.504 -4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.221 -0.847 -2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.841 -0.850 -4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.065 0.584 -3.411 1.00 0.00 H new ATOM 254 N THR A 19 2.947 2.281 -2.726 1.00 0.00 N ATOM 255 CA THR A 19 2.392 3.138 -1.685 1.00 0.00 C ATOM 256 C THR A 19 0.953 3.527 -2.002 1.00 0.00 C ATOM 257 O THR A 19 0.130 3.686 -1.102 1.00 0.00 O ATOM 258 CB THR A 19 3.230 4.418 -1.506 1.00 0.00 C ATOM 259 OG1 THR A 19 3.292 5.140 -2.741 1.00 0.00 O ATOM 260 CG2 THR A 19 4.638 4.082 -1.038 1.00 0.00 C ATOM 0 H THR A 19 3.789 2.648 -3.170 1.00 0.00 H new ATOM 0 HA THR A 19 2.415 2.565 -0.758 1.00 0.00 H new ATOM 0 HB THR A 19 2.750 5.037 -0.748 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.942 4.580 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.211 5.002 -0.919 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.589 3.559 -0.083 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.124 3.445 -1.776 1.00 0.00 H new ATOM 268 N ASN A 20 0.655 3.677 -3.289 1.00 0.00 N ATOM 269 CA ASN A 20 -0.687 4.047 -3.725 1.00 0.00 C ATOM 270 C ASN A 20 -1.722 3.061 -3.194 1.00 0.00 C ATOM 271 O ASN A 20 -2.620 3.433 -2.438 1.00 0.00 O ATOM 272 CB ASN A 20 -0.753 4.100 -5.252 1.00 0.00 C ATOM 273 CG ASN A 20 -0.413 5.474 -5.798 1.00 0.00 C ATOM 274 OD1 ASN A 20 -0.669 6.491 -5.153 1.00 0.00 O ATOM 275 ND2 ASN A 20 0.165 5.510 -6.993 1.00 0.00 N ATOM 0 H ASN A 20 1.324 3.548 -4.048 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.913 5.035 -3.324 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.064 3.366 -5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.754 3.819 -5.580 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.415 6.406 -7.412 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.359 4.642 -7.492 1.00 0.00 H new ATOM 282 N VAL A 21 -1.591 1.800 -3.595 1.00 0.00 N ATOM 283 CA VAL A 21 -2.514 0.759 -3.159 1.00 0.00 C ATOM 284 C VAL A 21 -2.666 0.760 -1.642 1.00 0.00 C ATOM 285 O VAL A 21 -3.763 0.954 -1.118 1.00 0.00 O ATOM 286 CB VAL A 21 -2.045 -0.635 -3.616 1.00 0.00 C ATOM 287 CG1 VAL A 21 -2.980 -1.713 -3.090 1.00 0.00 C ATOM 288 CG2 VAL A 21 -1.951 -0.694 -5.133 1.00 0.00 C ATOM 0 H VAL A 21 -0.854 1.475 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.478 0.978 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.052 -0.817 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.632 -2.691 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.992 -1.684 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.987 -1.538 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.618 -1.686 -5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.930 -0.490 -5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.237 0.052 -5.483 1.00 0.00 H new ATOM 298 N MET A 22 -1.558 0.542 -0.942 1.00 0.00 N ATOM 299 CA MET A 22 -1.568 0.519 0.516 1.00 0.00 C ATOM 300 C MET A 22 -2.270 1.753 1.075 1.00 0.00 C ATOM 301 O MET A 22 -3.172 1.643 1.906 1.00 0.00 O ATOM 302 CB MET A 22 -0.139 0.443 1.057 1.00 0.00 C ATOM 303 CG MET A 22 0.590 -0.833 0.669 1.00 0.00 C ATOM 304 SD MET A 22 1.980 -1.197 1.758 1.00 0.00 S ATOM 305 CE MET A 22 3.358 -0.700 0.727 1.00 0.00 C ATOM 0 H MET A 22 -0.642 0.379 -1.360 1.00 0.00 H new ATOM 0 HA MET A 22 -2.117 -0.366 0.836 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.426 1.300 0.690 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.166 0.520 2.144 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.111 -1.668 0.689 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.950 -0.744 -0.356 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.245 -1.268 1.007 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.118 -0.893 -0.319 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.550 0.364 0.864 1.00 0.00 H new ATOM 315 N ARG A 23 -1.851 2.926 0.613 1.00 0.00 N ATOM 316 CA ARG A 23 -2.439 4.181 1.067 1.00 0.00 C ATOM 317 C ARG A 23 -3.961 4.135 0.968 1.00 0.00 C ATOM 318 O ARG A 23 -4.662 4.245 1.974 1.00 0.00 O ATOM 319 CB ARG A 23 -1.899 5.350 0.243 1.00 0.00 C ATOM 320 CG ARG A 23 -0.642 5.976 0.825 1.00 0.00 C ATOM 321 CD ARG A 23 -0.017 6.973 -0.139 1.00 0.00 C ATOM 322 NE ARG A 23 0.922 7.868 0.531 1.00 0.00 N ATOM 323 CZ ARG A 23 1.404 8.975 -0.022 1.00 0.00 C ATOM 324 NH1 ARG A 23 1.036 9.322 -1.248 1.00 0.00 N ATOM 325 NH2 ARG A 23 2.255 9.739 0.651 1.00 0.00 N ATOM 0 H ARG A 23 -1.106 3.034 -0.076 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.164 4.325 2.112 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.687 5.003 -0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.672 6.115 0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.884 6.477 1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.080 5.194 1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.500 6.434 -0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.803 7.561 -0.612 1.00 0.00 H new ATOM 0 HE ARG A 23 1.224 7.630 1.476 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.381 8.738 -1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.408 10.173 -1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.540 9.476 1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.624 10.589 0.225 1.00 0.00 H new ATOM 339 N SER A 24 -4.465 3.972 -0.251 1.00 0.00 N ATOM 340 CA SER A 24 -5.904 3.916 -0.483 1.00 0.00 C ATOM 341 C SER A 24 -6.582 3.001 0.532 1.00 0.00 C ATOM 342 O SER A 24 -7.525 3.403 1.213 1.00 0.00 O ATOM 343 CB SER A 24 -6.194 3.427 -1.903 1.00 0.00 C ATOM 344 OG SER A 24 -7.504 3.785 -2.308 1.00 0.00 O ATOM 0 H SER A 24 -3.898 3.876 -1.094 1.00 0.00 H new ATOM 0 HA SER A 24 -6.306 4.922 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.467 3.854 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.079 2.344 -1.949 1.00 0.00 H new ATOM 0 HG SER A 24 -7.664 3.463 -3.219 1.00 0.00 H new ATOM 350 N TRP A 25 -6.095 1.769 0.626 1.00 0.00 N ATOM 351 CA TRP A 25 -6.654 0.796 1.558 1.00 0.00 C ATOM 352 C TRP A 25 -6.698 1.360 2.973 1.00 0.00 C ATOM 353 O TRP A 25 -7.754 1.395 3.606 1.00 0.00 O ATOM 354 CB TRP A 25 -5.831 -0.493 1.534 1.00 0.00 C ATOM 355 CG TRP A 25 -6.306 -1.519 2.518 1.00 0.00 C ATOM 356 CD1 TRP A 25 -7.259 -2.475 2.309 1.00 0.00 C ATOM 357 CD2 TRP A 25 -5.852 -1.690 3.865 1.00 0.00 C ATOM 358 NE1 TRP A 25 -7.425 -3.230 3.446 1.00 0.00 N ATOM 359 CE2 TRP A 25 -6.573 -2.769 4.414 1.00 0.00 C ATOM 360 CE3 TRP A 25 -4.906 -1.038 4.660 1.00 0.00 C ATOM 361 CZ2 TRP A 25 -6.375 -3.207 5.721 1.00 0.00 C ATOM 362 CZ3 TRP A 25 -4.712 -1.474 5.957 1.00 0.00 C ATOM 363 CH2 TRP A 25 -5.443 -2.550 6.477 1.00 0.00 C ATOM 0 H TRP A 25 -5.315 1.420 0.069 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.674 0.574 1.245 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.865 -0.919 0.531 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.788 -0.254 1.744 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -7.802 -2.617 1.386 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -8.077 -4.007 3.551 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.337 -0.208 4.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.937 -4.036 6.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -3.984 -0.976 6.581 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -5.267 -2.867 7.494 1.00 0.00 H new ATOM 374 N LEU A 26 -5.545 1.801 3.465 1.00 0.00 N ATOM 375 CA LEU A 26 -5.452 2.365 4.808 1.00 0.00 C ATOM 376 C LEU A 26 -6.544 3.405 5.038 1.00 0.00 C ATOM 377 O LEU A 26 -7.247 3.370 6.048 1.00 0.00 O ATOM 378 CB LEU A 26 -4.076 2.996 5.023 1.00 0.00 C ATOM 379 CG LEU A 26 -3.688 3.282 6.475 1.00 0.00 C ATOM 380 CD1 LEU A 26 -2.974 2.085 7.082 1.00 0.00 C ATOM 381 CD2 LEU A 26 -2.815 4.526 6.558 1.00 0.00 C ATOM 0 H LEU A 26 -4.662 1.779 2.955 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.589 1.556 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.324 2.336 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.037 3.932 4.466 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.599 3.463 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.706 2.307 8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.633 1.217 7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.071 1.872 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.548 4.715 7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.908 4.374 5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.362 5.382 6.163 1.00 0.00 H new ATOM 393 N PHE A 27 -6.681 4.330 4.094 1.00 0.00 N ATOM 394 CA PHE A 27 -7.688 5.381 4.193 1.00 0.00 C ATOM 395 C PHE A 27 -9.086 4.783 4.319 1.00 0.00 C ATOM 396 O PHE A 27 -9.881 5.211 5.156 1.00 0.00 O ATOM 397 CB PHE A 27 -7.621 6.298 2.970 1.00 0.00 C ATOM 398 CG PHE A 27 -6.342 7.080 2.877 1.00 0.00 C ATOM 399 CD1 PHE A 27 -5.925 7.879 3.929 1.00 0.00 C ATOM 400 CD2 PHE A 27 -5.557 7.017 1.737 1.00 0.00 C ATOM 401 CE1 PHE A 27 -4.749 8.601 3.847 1.00 0.00 C ATOM 402 CE2 PHE A 27 -4.380 7.736 1.649 1.00 0.00 C ATOM 403 CZ PHE A 27 -3.976 8.530 2.705 1.00 0.00 C ATOM 0 H PHE A 27 -6.108 4.374 3.252 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.480 5.967 5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.736 5.697 2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.461 6.992 3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.526 7.939 4.824 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.868 6.399 0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.435 9.220 4.675 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.776 7.677 0.755 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.057 9.094 2.637 1.00 0.00 H new ATOM 413 N GLN A 28 -9.378 3.794 3.482 1.00 0.00 N ATOM 414 CA GLN A 28 -10.681 3.139 3.498 1.00 0.00 C ATOM 415 C GLN A 28 -10.959 2.516 4.862 1.00 0.00 C ATOM 416 O GLN A 28 -12.107 2.451 5.304 1.00 0.00 O ATOM 417 CB GLN A 28 -10.749 2.066 2.410 1.00 0.00 C ATOM 418 CG GLN A 28 -10.841 2.631 1.002 1.00 0.00 C ATOM 419 CD GLN A 28 -12.028 3.556 0.821 1.00 0.00 C ATOM 420 OE1 GLN A 28 -13.179 3.121 0.852 1.00 0.00 O ATOM 421 NE2 GLN A 28 -11.754 4.842 0.631 1.00 0.00 N ATOM 0 H GLN A 28 -8.730 3.428 2.784 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.442 3.894 3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.865 1.432 2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.614 1.429 2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.924 3.173 0.772 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.913 1.810 0.289 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.785 5.160 0.612 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.513 5.512 0.504 1.00 0.00 H new ATOM 430 N HIS A 29 -9.902 2.058 5.525 1.00 0.00 N ATOM 431 CA HIS A 29 -10.033 1.439 6.840 1.00 0.00 C ATOM 432 C HIS A 29 -9.261 2.230 7.891 1.00 0.00 C ATOM 433 O HIS A 29 -8.731 1.660 8.845 1.00 0.00 O ATOM 434 CB HIS A 29 -9.531 -0.004 6.800 1.00 0.00 C ATOM 435 CG HIS A 29 -9.811 -0.701 5.504 1.00 0.00 C ATOM 436 ND1 HIS A 29 -11.042 -1.235 5.187 1.00 0.00 N ATOM 437 CD2 HIS A 29 -9.010 -0.947 4.440 1.00 0.00 C ATOM 438 CE1 HIS A 29 -10.986 -1.782 3.986 1.00 0.00 C ATOM 439 NE2 HIS A 29 -9.764 -1.620 3.511 1.00 0.00 N ATOM 0 H HIS A 29 -8.945 2.104 5.174 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.089 1.441 7.112 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.456 -0.011 6.982 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.995 -0.564 7.612 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.972 -0.666 4.341 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.801 -2.277 3.479 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.434 -1.943 2.601 1.00 0.00 H new ATOM 448 N ILE A 30 -9.202 3.545 7.710 1.00 0.00 N ATOM 449 CA ILE A 30 -8.496 4.414 8.644 1.00 0.00 C ATOM 450 C ILE A 30 -8.843 4.067 10.088 1.00 0.00 C ATOM 451 O ILE A 30 -7.965 3.971 10.943 1.00 0.00 O ATOM 452 CB ILE A 30 -8.823 5.897 8.391 1.00 0.00 C ATOM 453 CG1 ILE A 30 -8.029 6.788 9.349 1.00 0.00 C ATOM 454 CG2 ILE A 30 -10.316 6.144 8.544 1.00 0.00 C ATOM 455 CD1 ILE A 30 -6.608 7.043 8.899 1.00 0.00 C ATOM 0 H ILE A 30 -9.635 4.032 6.925 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.430 4.253 8.480 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.536 6.148 7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.544 7.742 9.456 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.011 6.323 10.335 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.531 7.197 8.362 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.861 5.533 7.825 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.627 5.880 9.555 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.105 7.681 9.626 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.076 6.095 8.819 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.617 7.537 7.927 1.00 0.00 H new ATOM 467 N GLY A 31 -10.133 3.878 10.351 1.00 0.00 N ATOM 468 CA GLY A 31 -10.575 3.543 11.692 1.00 0.00 C ATOM 469 C GLY A 31 -9.861 2.328 12.251 1.00 0.00 C ATOM 470 O GLY A 31 -9.392 2.343 13.389 1.00 0.00 O ATOM 0 H GLY A 31 -10.879 3.951 9.659 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.406 4.395 12.350 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.649 3.357 11.681 1.00 0.00 H new ATOM 474 N HIS A 32 -9.779 1.271 11.448 1.00 0.00 N ATOM 475 CA HIS A 32 -9.117 0.041 11.870 1.00 0.00 C ATOM 476 C HIS A 32 -8.157 -0.456 10.793 1.00 0.00 C ATOM 477 O HIS A 32 -8.487 -1.327 9.987 1.00 0.00 O ATOM 478 CB HIS A 32 -10.154 -1.039 12.183 1.00 0.00 C ATOM 479 CG HIS A 32 -9.551 -2.360 12.547 1.00 0.00 C ATOM 480 ND1 HIS A 32 -10.026 -3.562 12.067 1.00 0.00 N ATOM 481 CD2 HIS A 32 -8.504 -2.665 13.349 1.00 0.00 C ATOM 482 CE1 HIS A 32 -9.298 -4.549 12.559 1.00 0.00 C ATOM 483 NE2 HIS A 32 -8.367 -4.031 13.339 1.00 0.00 N ATOM 0 H HIS A 32 -10.162 1.242 10.503 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.544 0.256 12.772 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.785 -0.698 13.004 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.802 -1.171 11.317 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.890 -1.964 13.895 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.440 -5.600 12.357 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.661 -4.560 13.851 1.00 0.00 H new ATOM 492 N PRO A 33 -6.941 0.110 10.777 1.00 0.00 N ATOM 493 CA PRO A 33 -5.909 -0.260 9.804 1.00 0.00 C ATOM 494 C PRO A 33 -5.361 -1.663 10.046 1.00 0.00 C ATOM 495 O PRO A 33 -4.285 -1.829 10.620 1.00 0.00 O ATOM 496 CB PRO A 33 -4.816 0.787 10.031 1.00 0.00 C ATOM 497 CG PRO A 33 -5.002 1.230 11.442 1.00 0.00 C ATOM 498 CD PRO A 33 -6.480 1.154 11.708 1.00 0.00 C ATOM 0 HA PRO A 33 -6.297 -0.278 8.785 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.824 0.363 9.877 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.917 1.622 9.337 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.448 0.589 12.128 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.631 2.245 11.584 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.689 0.889 12.744 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.972 2.108 11.518 1.00 0.00 H new ATOM 506 N TYR A 34 -6.107 -2.668 9.603 1.00 0.00 N ATOM 507 CA TYR A 34 -5.697 -4.057 9.773 1.00 0.00 C ATOM 508 C TYR A 34 -5.955 -4.861 8.503 1.00 0.00 C ATOM 509 O TYR A 34 -7.094 -5.173 8.155 1.00 0.00 O ATOM 510 CB TYR A 34 -6.440 -4.690 10.951 1.00 0.00 C ATOM 511 CG TYR A 34 -5.871 -4.312 12.300 1.00 0.00 C ATOM 512 CD1 TYR A 34 -5.897 -2.995 12.742 1.00 0.00 C ATOM 513 CD2 TYR A 34 -5.309 -5.272 13.132 1.00 0.00 C ATOM 514 CE1 TYR A 34 -5.377 -2.646 13.974 1.00 0.00 C ATOM 515 CE2 TYR A 34 -4.789 -4.932 14.366 1.00 0.00 C ATOM 516 CZ TYR A 34 -4.825 -3.617 14.782 1.00 0.00 C ATOM 517 OH TYR A 34 -4.308 -3.273 16.010 1.00 0.00 O ATOM 0 H TYR A 34 -6.999 -2.547 9.123 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.627 -4.070 9.978 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.488 -4.392 10.911 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.413 -5.775 10.846 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.331 -2.232 12.113 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.278 -6.302 12.809 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.403 -1.617 14.302 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.357 -5.691 15.001 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.959 -4.074 16.454 1.00 0.00 H new ATOM 527 N PRO A 35 -4.871 -5.206 7.791 1.00 0.00 N ATOM 528 CA PRO A 35 -4.953 -5.979 6.549 1.00 0.00 C ATOM 529 C PRO A 35 -5.374 -7.424 6.792 1.00 0.00 C ATOM 530 O PRO A 35 -4.987 -8.036 7.788 1.00 0.00 O ATOM 531 CB PRO A 35 -3.525 -5.923 6.001 1.00 0.00 C ATOM 532 CG PRO A 35 -2.668 -5.707 7.201 1.00 0.00 C ATOM 533 CD PRO A 35 -3.483 -4.868 8.146 1.00 0.00 C ATOM 0 HA PRO A 35 -5.702 -5.576 5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.261 -6.847 5.487 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.409 -5.114 5.280 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.393 -6.657 7.660 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.740 -5.202 6.932 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.265 -5.108 9.187 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.282 -3.805 8.015 1.00 0.00 H new ATOM 541 N THR A 36 -6.170 -7.966 5.875 1.00 0.00 N ATOM 542 CA THR A 36 -6.644 -9.339 5.990 1.00 0.00 C ATOM 543 C THR A 36 -5.767 -10.293 5.188 1.00 0.00 C ATOM 544 O THR A 36 -5.246 -9.933 4.133 1.00 0.00 O ATOM 545 CB THR A 36 -8.101 -9.473 5.508 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.147 -9.462 4.077 1.00 0.00 O ATOM 547 CG2 THR A 36 -8.958 -8.342 6.056 1.00 0.00 C ATOM 0 H THR A 36 -6.500 -7.474 5.044 1.00 0.00 H new ATOM 0 HA THR A 36 -6.592 -9.603 7.046 1.00 0.00 H new ATOM 0 HB THR A 36 -8.497 -10.419 5.876 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.076 -9.549 3.779 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.983 -8.458 5.702 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.945 -8.371 7.146 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.562 -7.386 5.713 1.00 0.00 H new ATOM 555 N GLU A 37 -5.608 -11.512 5.695 1.00 0.00 N ATOM 556 CA GLU A 37 -4.792 -12.517 5.024 1.00 0.00 C ATOM 557 C GLU A 37 -4.912 -12.392 3.508 1.00 0.00 C ATOM 558 O GLU A 37 -3.938 -12.586 2.780 1.00 0.00 O ATOM 559 CB GLU A 37 -5.209 -13.922 5.466 1.00 0.00 C ATOM 560 CG GLU A 37 -6.339 -14.509 4.639 1.00 0.00 C ATOM 561 CD GLU A 37 -6.714 -15.912 5.075 1.00 0.00 C ATOM 562 OE1 GLU A 37 -6.967 -16.111 6.282 1.00 0.00 O ATOM 563 OE2 GLU A 37 -6.753 -16.812 4.210 1.00 0.00 O ATOM 0 H GLU A 37 -6.033 -11.827 6.567 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.752 -12.349 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.345 -14.584 5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.514 -13.889 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.214 -13.863 4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.045 -14.525 3.589 1.00 0.00 H new ATOM 570 N ASP A 38 -6.112 -12.068 3.041 1.00 0.00 N ATOM 571 CA ASP A 38 -6.361 -11.916 1.612 1.00 0.00 C ATOM 572 C ASP A 38 -5.733 -10.630 1.085 1.00 0.00 C ATOM 573 O ASP A 38 -5.088 -10.627 0.037 1.00 0.00 O ATOM 574 CB ASP A 38 -7.864 -11.918 1.331 1.00 0.00 C ATOM 575 CG ASP A 38 -8.432 -13.319 1.222 1.00 0.00 C ATOM 576 OD1 ASP A 38 -8.658 -13.952 2.275 1.00 0.00 O ATOM 577 OD2 ASP A 38 -8.650 -13.783 0.084 1.00 0.00 O ATOM 0 H ASP A 38 -6.928 -11.905 3.631 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.903 -12.760 1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.380 -11.381 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.058 -11.378 0.404 1.00 0.00 H new ATOM 582 N GLU A 39 -5.929 -9.538 1.818 1.00 0.00 N ATOM 583 CA GLU A 39 -5.384 -8.245 1.422 1.00 0.00 C ATOM 584 C GLU A 39 -3.869 -8.323 1.252 1.00 0.00 C ATOM 585 O GLU A 39 -3.318 -7.843 0.261 1.00 0.00 O ATOM 586 CB GLU A 39 -5.737 -7.178 2.460 1.00 0.00 C ATOM 587 CG GLU A 39 -7.193 -6.745 2.415 1.00 0.00 C ATOM 588 CD GLU A 39 -7.468 -5.735 1.318 1.00 0.00 C ATOM 589 OE1 GLU A 39 -6.670 -5.666 0.361 1.00 0.00 O ATOM 590 OE2 GLU A 39 -8.483 -5.013 1.418 1.00 0.00 O ATOM 0 H GLU A 39 -6.461 -9.523 2.688 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.827 -7.970 0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.511 -7.562 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.102 -6.306 2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.824 -7.621 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.470 -6.315 3.377 1.00 0.00 H new ATOM 597 N LYS A 40 -3.201 -8.930 2.227 1.00 0.00 N ATOM 598 CA LYS A 40 -1.750 -9.072 2.187 1.00 0.00 C ATOM 599 C LYS A 40 -1.314 -9.855 0.953 1.00 0.00 C ATOM 600 O LYS A 40 -0.270 -9.573 0.363 1.00 0.00 O ATOM 601 CB LYS A 40 -1.251 -9.774 3.452 1.00 0.00 C ATOM 602 CG LYS A 40 -1.995 -9.362 4.710 1.00 0.00 C ATOM 603 CD LYS A 40 -1.098 -9.422 5.935 1.00 0.00 C ATOM 604 CE LYS A 40 -1.898 -9.691 7.200 1.00 0.00 C ATOM 605 NZ LYS A 40 -1.232 -9.129 8.407 1.00 0.00 N ATOM 0 H LYS A 40 -3.641 -9.332 3.055 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.313 -8.075 2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.346 -10.852 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.190 -9.561 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.381 -8.350 4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.855 -10.016 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.351 -10.205 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.558 -8.481 6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.893 -9.258 7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.029 -10.766 7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.936 -8.639 8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.799 -9.900 8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.495 -8.456 8.115 1.00 0.00 H new ATOM 619 N LYS A 41 -2.119 -10.838 0.566 1.00 0.00 N ATOM 620 CA LYS A 41 -1.818 -11.661 -0.599 1.00 0.00 C ATOM 621 C LYS A 41 -2.060 -10.885 -1.890 1.00 0.00 C ATOM 622 O LYS A 41 -1.169 -10.769 -2.731 1.00 0.00 O ATOM 623 CB LYS A 41 -2.673 -12.930 -0.588 1.00 0.00 C ATOM 624 CG LYS A 41 -2.208 -13.967 0.420 1.00 0.00 C ATOM 625 CD LYS A 41 -2.913 -15.298 0.216 1.00 0.00 C ATOM 626 CE LYS A 41 -2.583 -16.280 1.330 1.00 0.00 C ATOM 627 NZ LYS A 41 -3.305 -17.571 1.164 1.00 0.00 N ATOM 0 H LYS A 41 -2.986 -11.085 1.043 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.765 -11.939 -0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.706 -12.660 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.663 -13.373 -1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.131 -14.107 0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.398 -13.605 1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.991 -15.138 0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.620 -15.723 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.509 -16.464 1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.844 -15.839 2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.053 -18.212 1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.331 -17.399 1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.036 -18.005 0.258 1.00 0.00 H new ATOM 641 N GLN A 42 -3.269 -10.354 -2.038 1.00 0.00 N ATOM 642 CA GLN A 42 -3.626 -9.588 -3.227 1.00 0.00 C ATOM 643 C GLN A 42 -2.735 -8.358 -3.370 1.00 0.00 C ATOM 644 O GLN A 42 -2.089 -8.165 -4.400 1.00 0.00 O ATOM 645 CB GLN A 42 -5.095 -9.164 -3.164 1.00 0.00 C ATOM 646 CG GLN A 42 -6.060 -10.331 -3.039 1.00 0.00 C ATOM 647 CD GLN A 42 -7.454 -9.991 -3.530 1.00 0.00 C ATOM 648 OE1 GLN A 42 -7.649 -9.012 -4.251 1.00 0.00 O ATOM 649 NE2 GLN A 42 -8.433 -10.800 -3.141 1.00 0.00 N ATOM 0 H GLN A 42 -4.018 -10.440 -1.350 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.476 -10.226 -4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.235 -8.495 -2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.339 -8.596 -4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.675 -11.178 -3.607 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.112 -10.644 -1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.226 -11.600 -2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.392 -10.621 -3.440 1.00 0.00 H new ATOM 658 N ILE A 43 -2.707 -7.531 -2.331 1.00 0.00 N ATOM 659 CA ILE A 43 -1.894 -6.320 -2.341 1.00 0.00 C ATOM 660 C ILE A 43 -0.455 -6.628 -2.742 1.00 0.00 C ATOM 661 O ILE A 43 0.109 -5.974 -3.619 1.00 0.00 O ATOM 662 CB ILE A 43 -1.896 -5.629 -0.965 1.00 0.00 C ATOM 663 CG1 ILE A 43 -3.300 -5.126 -0.624 1.00 0.00 C ATOM 664 CG2 ILE A 43 -0.898 -4.482 -0.948 1.00 0.00 C ATOM 665 CD1 ILE A 43 -3.499 -4.841 0.848 1.00 0.00 C ATOM 0 H ILE A 43 -3.237 -7.677 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.337 -5.648 -3.076 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.598 -6.356 -0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.499 -4.217 -1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.031 -5.869 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.911 -4.003 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.102 -4.866 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.168 -3.753 -1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.517 -4.488 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.332 -5.753 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.792 -4.076 1.169 1.00 0.00 H new ATOM 677 N ALA A 44 0.132 -7.628 -2.094 1.00 0.00 N ATOM 678 CA ALA A 44 1.504 -8.026 -2.385 1.00 0.00 C ATOM 679 C ALA A 44 1.755 -8.073 -3.889 1.00 0.00 C ATOM 680 O ALA A 44 2.842 -7.739 -4.357 1.00 0.00 O ATOM 681 CB ALA A 44 1.808 -9.376 -1.755 1.00 0.00 C ATOM 0 H ALA A 44 -0.321 -8.178 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 44 2.171 -7.279 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.836 -9.660 -1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.679 -9.311 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.128 -10.127 -2.157 1.00 0.00 H new ATOM 687 N ALA A 45 0.741 -8.492 -4.640 1.00 0.00 N ATOM 688 CA ALA A 45 0.852 -8.582 -6.090 1.00 0.00 C ATOM 689 C ALA A 45 0.790 -7.200 -6.733 1.00 0.00 C ATOM 690 O ALA A 45 1.758 -6.744 -7.339 1.00 0.00 O ATOM 691 CB ALA A 45 -0.246 -9.475 -6.649 1.00 0.00 C ATOM 0 H ALA A 45 -0.166 -8.774 -4.268 1.00 0.00 H new ATOM 0 HA ALA A 45 1.820 -9.022 -6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.151 -9.533 -7.733 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.155 -10.474 -6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.220 -9.058 -6.392 1.00 0.00 H new ATOM 697 N GLN A 46 -0.355 -6.540 -6.595 1.00 0.00 N ATOM 698 CA GLN A 46 -0.543 -5.210 -7.164 1.00 0.00 C ATOM 699 C GLN A 46 0.653 -4.314 -6.859 1.00 0.00 C ATOM 700 O GLN A 46 1.086 -3.530 -7.704 1.00 0.00 O ATOM 701 CB GLN A 46 -1.824 -4.575 -6.619 1.00 0.00 C ATOM 702 CG GLN A 46 -3.065 -5.426 -6.836 1.00 0.00 C ATOM 703 CD GLN A 46 -4.324 -4.594 -6.979 1.00 0.00 C ATOM 704 OE1 GLN A 46 -4.648 -4.119 -8.068 1.00 0.00 O ATOM 705 NE2 GLN A 46 -5.043 -4.414 -5.878 1.00 0.00 N ATOM 0 H GLN A 46 -1.166 -6.904 -6.095 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.630 -5.314 -8.246 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.702 -4.390 -5.552 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.970 -3.606 -7.096 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.932 -6.034 -7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.181 -6.113 -5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.737 -4.826 -4.996 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.901 -3.864 -5.914 1.00 0.00 H new ATOM 714 N THR A 47 1.183 -4.435 -5.646 1.00 0.00 N ATOM 715 CA THR A 47 2.327 -3.635 -5.229 1.00 0.00 C ATOM 716 C THR A 47 3.635 -4.382 -5.464 1.00 0.00 C ATOM 717 O THR A 47 4.714 -3.793 -5.415 1.00 0.00 O ATOM 718 CB THR A 47 2.231 -3.249 -3.741 1.00 0.00 C ATOM 719 OG1 THR A 47 2.418 -4.408 -2.921 1.00 0.00 O ATOM 720 CG2 THR A 47 0.882 -2.617 -3.432 1.00 0.00 C ATOM 0 H THR A 47 0.838 -5.080 -4.935 1.00 0.00 H new ATOM 0 HA THR A 47 2.315 -2.728 -5.834 1.00 0.00 H new ATOM 0 HB THR A 47 3.014 -2.522 -3.526 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.679 -5.035 -3.067 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.837 -2.353 -2.375 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.754 -1.719 -4.036 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.087 -3.326 -3.663 1.00 0.00 H new ATOM 728 N ASN A 48 3.531 -5.682 -5.722 1.00 0.00 N ATOM 729 CA ASN A 48 4.707 -6.509 -5.965 1.00 0.00 C ATOM 730 C ASN A 48 5.593 -6.574 -4.725 1.00 0.00 C ATOM 731 O ASN A 48 6.821 -6.580 -4.826 1.00 0.00 O ATOM 732 CB ASN A 48 5.506 -5.960 -7.149 1.00 0.00 C ATOM 733 CG ASN A 48 6.706 -6.823 -7.486 1.00 0.00 C ATOM 734 OD1 ASN A 48 7.848 -6.367 -7.430 1.00 0.00 O ATOM 735 ND2 ASN A 48 6.452 -8.078 -7.840 1.00 0.00 N ATOM 0 H ASN A 48 2.645 -6.185 -5.768 1.00 0.00 H new ATOM 0 HA ASN A 48 4.368 -7.518 -6.200 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.856 -5.890 -8.021 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.842 -4.949 -6.920 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.220 -8.706 -8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.489 -8.414 -7.873 1.00 0.00 H new ATOM 742 N LEU A 49 4.963 -6.622 -3.557 1.00 0.00 N ATOM 743 CA LEU A 49 5.694 -6.687 -2.296 1.00 0.00 C ATOM 744 C LEU A 49 5.433 -8.010 -1.583 1.00 0.00 C ATOM 745 O LEU A 49 4.425 -8.674 -1.830 1.00 0.00 O ATOM 746 CB LEU A 49 5.295 -5.520 -1.391 1.00 0.00 C ATOM 747 CG LEU A 49 5.355 -4.129 -2.024 1.00 0.00 C ATOM 748 CD1 LEU A 49 4.786 -3.086 -1.076 1.00 0.00 C ATOM 749 CD2 LEU A 49 6.786 -3.780 -2.408 1.00 0.00 C ATOM 0 H LEU A 49 3.948 -6.617 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 49 6.759 -6.619 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.279 -5.692 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.944 -5.527 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 49 4.748 -4.136 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.837 -2.103 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.747 -3.327 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.365 -3.079 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.810 -2.787 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.415 -3.791 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.159 -4.512 -3.125 1.00 0.00 H new ATOM 761 N THR A 50 6.347 -8.388 -0.694 1.00 0.00 N ATOM 762 CA THR A 50 6.215 -9.631 0.056 1.00 0.00 C ATOM 763 C THR A 50 5.353 -9.435 1.298 1.00 0.00 C ATOM 764 O THR A 50 5.399 -8.384 1.938 1.00 0.00 O ATOM 765 CB THR A 50 7.591 -10.179 0.481 1.00 0.00 C ATOM 766 OG1 THR A 50 8.362 -9.142 1.098 1.00 0.00 O ATOM 767 CG2 THR A 50 8.346 -10.734 -0.718 1.00 0.00 C ATOM 0 H THR A 50 7.186 -7.851 -0.476 1.00 0.00 H new ATOM 0 HA THR A 50 5.734 -10.351 -0.607 1.00 0.00 H new ATOM 0 HB THR A 50 7.431 -10.986 1.196 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.234 -9.499 1.367 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.314 -11.115 -0.394 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.770 -11.543 -1.168 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.495 -9.942 -1.452 1.00 0.00 H new ATOM 775 N LEU A 51 4.569 -10.453 1.634 1.00 0.00 N ATOM 776 CA LEU A 51 3.696 -10.393 2.801 1.00 0.00 C ATOM 777 C LEU A 51 4.345 -9.593 3.926 1.00 0.00 C ATOM 778 O LEU A 51 3.682 -8.811 4.609 1.00 0.00 O ATOM 779 CB LEU A 51 3.365 -11.805 3.289 1.00 0.00 C ATOM 780 CG LEU A 51 2.118 -12.449 2.683 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.868 -11.695 3.107 1.00 0.00 C ATOM 782 CD2 LEU A 51 2.226 -12.497 1.165 1.00 0.00 C ATOM 0 H LEU A 51 4.520 -11.330 1.115 1.00 0.00 H new ATOM 0 HA LEU A 51 2.774 -9.891 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.219 -12.449 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.244 -11.775 4.372 1.00 0.00 H new ATOM 0 HG LEU A 51 2.044 -13.471 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.009 -12.168 2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.783 -11.714 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.933 -10.662 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.330 -12.959 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.326 -11.484 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.100 -13.083 0.881 1.00 0.00 H new ATOM 794 N LEU A 52 5.645 -9.793 4.113 1.00 0.00 N ATOM 795 CA LEU A 52 6.386 -9.089 5.154 1.00 0.00 C ATOM 796 C LEU A 52 6.436 -7.591 4.868 1.00 0.00 C ATOM 797 O LEU A 52 6.111 -6.774 5.729 1.00 0.00 O ATOM 798 CB LEU A 52 7.806 -9.647 5.263 1.00 0.00 C ATOM 799 CG LEU A 52 8.558 -9.319 6.554 1.00 0.00 C ATOM 800 CD1 LEU A 52 8.216 -10.325 7.642 1.00 0.00 C ATOM 801 CD2 LEU A 52 10.059 -9.291 6.304 1.00 0.00 C ATOM 0 H LEU A 52 6.208 -10.437 3.557 1.00 0.00 H new ATOM 0 HA LEU A 52 5.869 -9.242 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.758 -10.731 5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.388 -9.272 4.421 1.00 0.00 H new ATOM 0 HG LEU A 52 8.247 -8.330 6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.760 -10.075 8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.145 -10.296 7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.497 -11.326 7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.578 -9.056 7.233 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.386 -10.266 5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.289 -8.531 5.557 1.00 0.00 H new ATOM 813 N GLN A 53 6.844 -7.239 3.653 1.00 0.00 N ATOM 814 CA GLN A 53 6.935 -5.840 3.253 1.00 0.00 C ATOM 815 C GLN A 53 5.594 -5.135 3.430 1.00 0.00 C ATOM 816 O GLN A 53 5.488 -4.158 4.171 1.00 0.00 O ATOM 817 CB GLN A 53 7.394 -5.732 1.798 1.00 0.00 C ATOM 818 CG GLN A 53 8.847 -6.126 1.587 1.00 0.00 C ATOM 819 CD GLN A 53 9.798 -4.958 1.752 1.00 0.00 C ATOM 820 OE1 GLN A 53 10.067 -4.513 2.868 1.00 0.00 O ATOM 821 NE2 GLN A 53 10.314 -4.453 0.638 1.00 0.00 N ATOM 0 H GLN A 53 7.117 -7.903 2.929 1.00 0.00 H new ATOM 0 HA GLN A 53 7.669 -5.352 3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.761 -6.366 1.178 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.251 -4.707 1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.114 -6.910 2.296 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.964 -6.547 0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.064 -4.852 -0.267 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.961 -3.666 0.687 1.00 0.00 H new ATOM 830 N VAL A 54 4.572 -5.637 2.744 1.00 0.00 N ATOM 831 CA VAL A 54 3.238 -5.056 2.825 1.00 0.00 C ATOM 832 C VAL A 54 2.843 -4.786 4.273 1.00 0.00 C ATOM 833 O VAL A 54 2.268 -3.745 4.586 1.00 0.00 O ATOM 834 CB VAL A 54 2.184 -5.977 2.181 1.00 0.00 C ATOM 835 CG1 VAL A 54 0.794 -5.375 2.316 1.00 0.00 C ATOM 836 CG2 VAL A 54 2.523 -6.233 0.720 1.00 0.00 C ATOM 0 H VAL A 54 4.643 -6.445 2.126 1.00 0.00 H new ATOM 0 HA VAL A 54 3.270 -4.114 2.278 1.00 0.00 H new ATOM 0 HB VAL A 54 2.192 -6.932 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.063 -6.040 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.554 -5.247 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.767 -4.406 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.768 -6.885 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.544 -5.286 0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.500 -6.711 0.652 1.00 0.00 H new ATOM 846 N ASN A 55 3.157 -5.732 5.152 1.00 0.00 N ATOM 847 CA ASN A 55 2.835 -5.596 6.568 1.00 0.00 C ATOM 848 C ASN A 55 3.661 -4.484 7.209 1.00 0.00 C ATOM 849 O ASN A 55 3.113 -3.524 7.750 1.00 0.00 O ATOM 850 CB ASN A 55 3.085 -6.917 7.298 1.00 0.00 C ATOM 851 CG ASN A 55 1.859 -7.810 7.312 1.00 0.00 C ATOM 852 OD1 ASN A 55 0.730 -7.332 7.422 1.00 0.00 O ATOM 853 ND2 ASN A 55 2.077 -9.115 7.200 1.00 0.00 N ATOM 0 H ASN A 55 3.634 -6.600 4.909 1.00 0.00 H new ATOM 0 HA ASN A 55 1.780 -5.336 6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.910 -7.444 6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.392 -6.710 8.323 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.291 -9.765 7.203 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.030 -9.467 7.111 1.00 0.00 H new ATOM 860 N ASN A 56 4.981 -4.622 7.144 1.00 0.00 N ATOM 861 CA ASN A 56 5.882 -3.630 7.718 1.00 0.00 C ATOM 862 C ASN A 56 5.394 -2.215 7.421 1.00 0.00 C ATOM 863 O ASN A 56 5.172 -1.420 8.335 1.00 0.00 O ATOM 864 CB ASN A 56 7.298 -3.818 7.170 1.00 0.00 C ATOM 865 CG ASN A 56 8.087 -4.853 7.948 1.00 0.00 C ATOM 866 OD1 ASN A 56 8.481 -5.927 7.274 1.00 0.00 O flip ATOM 867 ND2 ASN A 56 8.339 -4.688 9.142 1.00 0.00 N flip ATOM 0 H ASN A 56 5.450 -5.411 6.700 1.00 0.00 H new ATOM 0 HA ASN A 56 5.896 -3.772 8.799 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.243 -4.119 6.124 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.826 -2.865 7.200 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.016 -3.847 9.620 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.871 -5.393 9.653 1.00 0.00 H new ATOM 874 N TRP A 57 5.228 -1.909 6.140 1.00 0.00 N ATOM 875 CA TRP A 57 4.765 -0.591 5.722 1.00 0.00 C ATOM 876 C TRP A 57 3.506 -0.190 6.483 1.00 0.00 C ATOM 877 O TRP A 57 3.414 0.919 7.010 1.00 0.00 O ATOM 878 CB TRP A 57 4.493 -0.576 4.217 1.00 0.00 C ATOM 879 CG TRP A 57 4.218 0.795 3.677 1.00 0.00 C ATOM 880 CD1 TRP A 57 5.125 1.659 3.134 1.00 0.00 C ATOM 881 CD2 TRP A 57 2.950 1.458 3.630 1.00 0.00 C ATOM 882 NE1 TRP A 57 4.497 2.820 2.752 1.00 0.00 N ATOM 883 CE2 TRP A 57 3.163 2.722 3.044 1.00 0.00 C ATOM 884 CE3 TRP A 57 1.656 1.108 4.023 1.00 0.00 C ATOM 885 CZ2 TRP A 57 2.129 3.634 2.846 1.00 0.00 C ATOM 886 CZ3 TRP A 57 0.631 2.014 3.825 1.00 0.00 C ATOM 887 CH2 TRP A 57 0.872 3.264 3.240 1.00 0.00 C ATOM 0 H TRP A 57 5.407 -2.556 5.372 1.00 0.00 H new ATOM 0 HA TRP A 57 5.550 0.131 5.949 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.352 -0.999 3.696 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.641 -1.221 4.003 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.180 1.459 3.021 1.00 0.00 H new ATOM 0 HE1 TRP A 57 4.951 3.625 2.321 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.460 0.146 4.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 2.313 4.599 2.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -0.373 1.754 4.126 1.00 0.00 H new ATOM 0 HH2 TRP A 57 0.049 3.949 3.097 1.00 0.00 H new ATOM 898 N PHE A 58 2.538 -1.098 6.537 1.00 0.00 N ATOM 899 CA PHE A 58 1.283 -0.838 7.234 1.00 0.00 C ATOM 900 C PHE A 58 1.531 -0.553 8.712 1.00 0.00 C ATOM 901 O PHE A 58 1.123 0.486 9.231 1.00 0.00 O ATOM 902 CB PHE A 58 0.336 -2.031 7.084 1.00 0.00 C ATOM 903 CG PHE A 58 -0.477 -1.996 5.822 1.00 0.00 C ATOM 904 CD1 PHE A 58 -1.127 -0.836 5.432 1.00 0.00 C ATOM 905 CD2 PHE A 58 -0.590 -3.123 5.024 1.00 0.00 C ATOM 906 CE1 PHE A 58 -1.876 -0.802 4.271 1.00 0.00 C ATOM 907 CE2 PHE A 58 -1.337 -3.095 3.862 1.00 0.00 C ATOM 908 CZ PHE A 58 -1.980 -1.932 3.484 1.00 0.00 C ATOM 0 H PHE A 58 2.598 -2.021 6.107 1.00 0.00 H new ATOM 0 HA PHE A 58 0.822 0.042 6.785 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.919 -2.952 7.106 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.338 -2.060 7.940 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.047 0.052 6.042 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.088 -4.034 5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.380 0.108 3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.418 -3.981 3.250 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.563 -1.907 2.575 1.00 0.00 H new ATOM 918 N ILE A 59 2.202 -1.483 9.384 1.00 0.00 N ATOM 919 CA ILE A 59 2.504 -1.332 10.801 1.00 0.00 C ATOM 920 C ILE A 59 3.077 0.050 11.097 1.00 0.00 C ATOM 921 O ILE A 59 2.732 0.674 12.099 1.00 0.00 O ATOM 922 CB ILE A 59 3.502 -2.402 11.281 1.00 0.00 C ATOM 923 CG1 ILE A 59 2.937 -3.803 11.040 1.00 0.00 C ATOM 924 CG2 ILE A 59 3.826 -2.201 12.754 1.00 0.00 C ATOM 925 CD1 ILE A 59 3.999 -4.876 10.951 1.00 0.00 C ATOM 0 H ILE A 59 2.547 -2.349 8.969 1.00 0.00 H new ATOM 0 HA ILE A 59 1.564 -1.456 11.339 1.00 0.00 H new ATOM 0 HB ILE A 59 4.424 -2.300 10.709 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.248 -4.052 11.847 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.358 -3.799 10.116 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.533 -2.965 13.079 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.266 -1.214 12.898 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.911 -2.279 13.342 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.526 -5.843 10.779 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.675 -4.651 10.126 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.563 -4.908 11.883 1.00 0.00 H new ATOM 937 N ASN A 60 3.952 0.523 10.216 1.00 0.00 N ATOM 938 CA ASN A 60 4.572 1.833 10.381 1.00 0.00 C ATOM 939 C ASN A 60 3.617 2.944 9.955 1.00 0.00 C ATOM 940 O ASN A 60 3.615 4.030 10.534 1.00 0.00 O ATOM 941 CB ASN A 60 5.864 1.915 9.567 1.00 0.00 C ATOM 942 CG ASN A 60 6.874 2.867 10.179 1.00 0.00 C ATOM 943 OD1 ASN A 60 6.870 3.100 11.388 1.00 0.00 O ATOM 944 ND2 ASN A 60 7.744 3.423 9.344 1.00 0.00 N ATOM 0 H ASN A 60 4.248 0.019 9.380 1.00 0.00 H new ATOM 0 HA ASN A 60 4.807 1.966 11.437 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.306 0.921 9.490 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.631 2.239 8.553 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.446 4.073 9.697 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.710 3.200 8.349 1.00 0.00 H new ATOM 951 N ALA A 61 2.806 2.664 8.940 1.00 0.00 N ATOM 952 CA ALA A 61 1.845 3.638 8.439 1.00 0.00 C ATOM 953 C ALA A 61 0.807 3.982 9.501 1.00 0.00 C ATOM 954 O ALA A 61 0.573 5.154 9.797 1.00 0.00 O ATOM 955 CB ALA A 61 1.164 3.110 7.185 1.00 0.00 C ATOM 0 H ALA A 61 2.796 1.770 8.449 1.00 0.00 H new ATOM 0 HA ALA A 61 2.387 4.550 8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.449 3.848 6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.913 2.921 6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.642 2.182 7.418 1.00 0.00 H new ATOM 961 N ARG A 62 0.188 2.954 10.072 1.00 0.00 N ATOM 962 CA ARG A 62 -0.827 3.149 11.101 1.00 0.00 C ATOM 963 C ARG A 62 -0.268 3.954 12.270 1.00 0.00 C ATOM 964 O ARG A 62 -1.020 4.480 13.091 1.00 0.00 O ATOM 965 CB ARG A 62 -1.345 1.799 11.599 1.00 0.00 C ATOM 966 CG ARG A 62 -0.306 0.991 12.360 1.00 0.00 C ATOM 967 CD ARG A 62 -0.958 -0.048 13.259 1.00 0.00 C ATOM 968 NE ARG A 62 0.017 -0.988 13.804 1.00 0.00 N ATOM 969 CZ ARG A 62 -0.188 -1.703 14.905 1.00 0.00 C ATOM 970 NH1 ARG A 62 -1.327 -1.586 15.574 1.00 0.00 N ATOM 971 NH2 ARG A 62 0.748 -2.539 15.339 1.00 0.00 N ATOM 0 H ARG A 62 0.371 1.978 9.840 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.653 3.707 10.660 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.207 1.966 12.245 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.693 1.216 10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.360 0.496 11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.308 1.661 12.962 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.475 0.454 14.077 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.712 -0.595 12.693 1.00 0.00 H new ATOM 0 HE ARG A 62 0.904 -1.102 13.313 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.049 -0.946 15.244 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.481 -2.136 16.419 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.625 -2.633 14.827 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.590 -3.087 16.184 1.00 0.00 H new ATOM 985 N ARG A 63 1.056 4.045 12.340 1.00 0.00 N ATOM 986 CA ARG A 63 1.716 4.784 13.410 1.00 0.00 C ATOM 987 C ARG A 63 1.878 6.254 13.035 1.00 0.00 C ATOM 988 O ARG A 63 1.574 7.145 13.829 1.00 0.00 O ATOM 989 CB ARG A 63 3.083 4.170 13.714 1.00 0.00 C ATOM 990 CG ARG A 63 3.006 2.861 14.482 1.00 0.00 C ATOM 991 CD ARG A 63 4.362 2.463 15.044 1.00 0.00 C ATOM 992 NE ARG A 63 4.615 3.074 16.346 1.00 0.00 N ATOM 993 CZ ARG A 63 5.709 2.846 17.065 1.00 0.00 C ATOM 994 NH1 ARG A 63 6.646 2.025 16.610 1.00 0.00 N ATOM 995 NH2 ARG A 63 5.867 3.440 18.241 1.00 0.00 N ATOM 0 H ARG A 63 1.693 3.616 11.669 1.00 0.00 H new ATOM 0 HA ARG A 63 1.091 4.721 14.301 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.612 4.001 12.776 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.673 4.884 14.288 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.288 2.958 15.296 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.638 2.073 13.824 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.412 1.378 15.137 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.145 2.759 14.346 1.00 0.00 H new ATOM 0 HE ARG A 63 3.914 3.711 16.724 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.528 1.567 15.706 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.485 1.852 17.164 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.148 4.072 18.594 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.707 3.264 18.792 1.00 0.00 H new ATOM 1009 N ARG A 64 2.360 6.500 11.821 1.00 0.00 N ATOM 1010 CA ARG A 64 2.565 7.862 11.342 1.00 0.00 C ATOM 1011 C ARG A 64 1.241 8.618 11.270 1.00 0.00 C ATOM 1012 O ARG A 64 1.193 9.828 11.494 1.00 0.00 O ATOM 1013 CB ARG A 64 3.230 7.846 9.964 1.00 0.00 C ATOM 1014 CG ARG A 64 2.247 7.702 8.814 1.00 0.00 C ATOM 1015 CD ARG A 64 2.907 7.090 7.589 1.00 0.00 C ATOM 1016 NE ARG A 64 3.472 8.107 6.706 1.00 0.00 N ATOM 1017 CZ ARG A 64 2.737 8.895 5.929 1.00 0.00 C ATOM 1018 NH1 ARG A 64 1.416 8.784 5.926 1.00 0.00 N ATOM 1019 NH2 ARG A 64 3.324 9.797 5.153 1.00 0.00 N ATOM 0 H ARG A 64 2.616 5.774 11.151 1.00 0.00 H new ATOM 0 HA ARG A 64 3.219 8.374 12.048 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.797 8.768 9.833 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.945 7.024 9.925 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.409 7.079 9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.839 8.680 8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.695 6.406 7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.174 6.499 7.039 1.00 0.00 H new ATOM 0 HE ARG A 64 4.486 8.218 6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.961 8.092 6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.855 9.391 5.328 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.340 9.886 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.759 10.402 4.557 1.00 0.00 H new ATOM 1033 N ILE A 65 0.170 7.897 10.957 1.00 0.00 N ATOM 1034 CA ILE A 65 -1.153 8.499 10.857 1.00 0.00 C ATOM 1035 C ILE A 65 -1.792 8.654 12.233 1.00 0.00 C ATOM 1036 O ILE A 65 -2.583 9.570 12.463 1.00 0.00 O ATOM 1037 CB ILE A 65 -2.086 7.663 9.962 1.00 0.00 C ATOM 1038 CG1 ILE A 65 -2.406 6.324 10.630 1.00 0.00 C ATOM 1039 CG2 ILE A 65 -1.452 7.442 8.596 1.00 0.00 C ATOM 1040 CD1 ILE A 65 -3.544 5.576 9.972 1.00 0.00 C ATOM 0 H ILE A 65 0.193 6.895 10.768 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.018 9.483 10.408 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.019 8.210 9.824 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.514 5.698 10.615 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.655 6.500 11.677 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.124 6.849 7.975 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.271 8.405 8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.506 6.913 8.715 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.715 4.637 10.498 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.449 6.183 10.010 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.290 5.368 8.933 1.00 0.00 H new ATOM 1052 N LEU A 66 -1.444 7.755 13.146 1.00 0.00 N ATOM 1053 CA LEU A 66 -1.981 7.792 14.501 1.00 0.00 C ATOM 1054 C LEU A 66 -1.363 8.934 15.301 1.00 0.00 C ATOM 1055 O LEU A 66 -2.060 9.645 16.024 1.00 0.00 O ATOM 1056 CB LEU A 66 -1.725 6.460 15.210 1.00 0.00 C ATOM 1057 CG LEU A 66 -2.809 5.394 15.048 1.00 0.00 C ATOM 1058 CD1 LEU A 66 -2.359 4.078 15.662 1.00 0.00 C ATOM 1059 CD2 LEU A 66 -4.114 5.860 15.677 1.00 0.00 C ATOM 0 H LEU A 66 -0.791 6.991 12.972 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.056 7.960 14.434 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.784 6.051 14.843 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.594 6.657 16.274 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.979 5.235 13.983 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.143 3.331 15.537 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.451 3.737 15.166 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.160 4.221 16.724 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.874 5.089 15.552 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.959 6.048 16.739 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.445 6.778 15.191 1.00 0.00 H new ATOM 1071 N GLN A 67 -0.052 9.103 15.164 1.00 0.00 N ATOM 1072 CA GLN A 67 0.659 10.160 15.873 1.00 0.00 C ATOM 1073 C GLN A 67 1.905 10.589 15.105 1.00 0.00 C ATOM 1074 O GLN A 67 2.821 9.793 14.894 1.00 0.00 O ATOM 1075 CB GLN A 67 1.048 9.690 17.276 1.00 0.00 C ATOM 1076 CG GLN A 67 1.807 10.734 18.079 1.00 0.00 C ATOM 1077 CD GLN A 67 1.568 10.611 19.571 1.00 0.00 C ATOM 1078 OE1 GLN A 67 1.253 9.532 20.074 1.00 0.00 O ATOM 1079 NE2 GLN A 67 1.715 11.719 20.288 1.00 0.00 N ATOM 0 H GLN A 67 0.539 8.522 14.569 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.008 11.018 15.956 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.146 9.411 17.820 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.660 8.792 17.193 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.874 10.637 17.877 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.509 11.729 17.748 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.977 12.592 19.830 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.566 11.697 21.297 1.00 0.00 H new ATOM 1088 N SER A 68 1.933 11.851 14.688 1.00 0.00 N ATOM 1089 CA SER A 68 3.064 12.384 13.939 1.00 0.00 C ATOM 1090 C SER A 68 3.705 13.552 14.681 1.00 0.00 C ATOM 1091 O SER A 68 3.153 14.061 15.656 1.00 0.00 O ATOM 1092 CB SER A 68 2.615 12.833 12.547 1.00 0.00 C ATOM 1093 OG SER A 68 3.720 12.946 11.667 1.00 0.00 O ATOM 0 H SER A 68 1.185 12.523 14.857 1.00 0.00 H new ATOM 0 HA SER A 68 3.805 11.592 13.835 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.897 12.118 12.145 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.103 13.793 12.618 1.00 0.00 H new ATOM 0 HG SER A 68 3.407 13.233 10.784 1.00 0.00 H new ATOM 1099 N GLY A 69 4.876 13.973 14.212 1.00 0.00 N ATOM 1100 CA GLY A 69 5.574 15.078 14.842 1.00 0.00 C ATOM 1101 C GLY A 69 5.244 16.413 14.203 1.00 0.00 C ATOM 1102 O GLY A 69 4.993 16.504 13.001 1.00 0.00 O ATOM 0 H GLY A 69 5.353 13.568 13.407 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.315 15.111 15.900 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.649 14.906 14.782 1.00 0.00 H new ATOM 1106 N PRO A 70 5.239 17.478 15.018 1.00 0.00 N ATOM 1107 CA PRO A 70 4.937 18.833 14.547 1.00 0.00 C ATOM 1108 C PRO A 70 6.040 19.396 13.657 1.00 0.00 C ATOM 1109 O PRO A 70 7.221 19.321 13.992 1.00 0.00 O ATOM 1110 CB PRO A 70 4.830 19.643 15.842 1.00 0.00 C ATOM 1111 CG PRO A 70 5.661 18.895 16.826 1.00 0.00 C ATOM 1112 CD PRO A 70 5.529 17.442 16.461 1.00 0.00 C ATOM 0 HA PRO A 70 4.035 18.860 13.935 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.198 20.660 15.705 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.795 19.721 16.176 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.702 19.215 16.781 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.316 19.074 17.844 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.444 16.890 16.673 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.728 16.958 17.020 1.00 0.00 H new ATOM 1120 N SER A 71 5.645 19.961 12.520 1.00 0.00 N ATOM 1121 CA SER A 71 6.600 20.534 11.579 1.00 0.00 C ATOM 1122 C SER A 71 6.061 21.828 10.977 1.00 0.00 C ATOM 1123 O SER A 71 4.875 21.932 10.662 1.00 0.00 O ATOM 1124 CB SER A 71 6.915 19.533 10.466 1.00 0.00 C ATOM 1125 OG SER A 71 8.136 19.853 9.822 1.00 0.00 O ATOM 0 H SER A 71 4.670 20.034 12.229 1.00 0.00 H new ATOM 0 HA SER A 71 7.516 20.761 12.124 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.973 18.527 10.883 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.105 19.529 9.736 1.00 0.00 H new ATOM 0 HG SER A 71 8.315 19.197 9.116 1.00 0.00 H new ATOM 1131 N SER A 72 6.940 22.813 10.821 1.00 0.00 N ATOM 1132 CA SER A 72 6.552 24.102 10.261 1.00 0.00 C ATOM 1133 C SER A 72 7.354 24.409 9.000 1.00 0.00 C ATOM 1134 O SER A 72 8.452 24.962 9.068 1.00 0.00 O ATOM 1135 CB SER A 72 6.757 25.212 11.293 1.00 0.00 C ATOM 1136 OG SER A 72 5.739 25.187 12.279 1.00 0.00 O ATOM 0 H SER A 72 7.925 22.743 11.075 1.00 0.00 H new ATOM 0 HA SER A 72 5.496 24.053 9.996 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.731 25.095 11.768 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.760 26.181 10.794 1.00 0.00 H new ATOM 0 HG SER A 72 5.894 25.905 12.928 1.00 0.00 H new ATOM 1142 N GLY A 73 6.797 24.047 7.849 1.00 0.00 N ATOM 1143 CA GLY A 73 7.473 24.291 6.588 1.00 0.00 C ATOM 1144 C GLY A 73 7.852 23.009 5.875 1.00 0.00 C ATOM 1145 O GLY A 73 7.483 21.917 6.308 1.00 0.00 O ATOM 0 H GLY A 73 5.889 23.589 7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.826 24.885 5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.371 24.881 6.769 1.00 0.00 H new TER 1149 GLY A 73