USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 569 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 Single : A 1 GLY N :NH3+ -137:sc= 0.0637 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0943 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc=-0.00492 K(o=-0.0049,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 108:sc= 0.669 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0.385 X(o=0.39,f=-0.0011) USER MOD Single : A 43 ASN : amide:sc= -5.63! C(o=-5.6!,f=-11!) USER MOD Single : A 46 ASN : amide:sc=-0.00604 X(o=-0.006,f=-0.076) USER MOD Single : A 47 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.0065) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -176:sc= -2.48 USER MOD Single : A 56 ASN : amide:sc= -0.352 K(o=-0.35,f=-2.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.848 K(o=-0.85,f=-5.5!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -57:sc= 0.963 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.717 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= -0.0255 (180deg=-0.329) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.869 11.214 9.786 1.00 0.00 N ATOM 2 CA GLY A 1 4.017 9.769 9.751 1.00 0.00 C ATOM 3 C GLY A 1 4.808 9.327 8.519 1.00 0.00 C ATOM 4 O GLY A 1 5.652 10.071 8.019 1.00 0.00 O ATOM 0 H1 GLY A 1 4.033 11.556 10.754 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.560 11.649 9.143 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.907 11.472 9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.525 9.430 10.654 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.033 9.300 9.743 1.00 0.00 H new ATOM 8 N SER A 2 4.509 8.120 8.063 1.00 0.00 N ATOM 9 CA SER A 2 5.182 7.571 6.899 1.00 0.00 C ATOM 10 C SER A 2 6.698 7.644 7.087 1.00 0.00 C ATOM 11 O SER A 2 7.321 8.652 6.753 1.00 0.00 O ATOM 12 CB SER A 2 4.769 8.310 5.624 1.00 0.00 C ATOM 13 OG SER A 2 3.496 7.883 5.148 1.00 0.00 O ATOM 0 H SER A 2 3.809 7.506 8.479 1.00 0.00 H new ATOM 0 HA SER A 2 4.886 6.527 6.794 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.742 9.382 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.519 8.145 4.850 1.00 0.00 H new ATOM 0 HG SER A 2 3.268 8.379 4.334 1.00 0.00 H new ATOM 19 N SER A 3 7.249 6.565 7.621 1.00 0.00 N ATOM 20 CA SER A 3 8.681 6.494 7.858 1.00 0.00 C ATOM 21 C SER A 3 9.052 5.118 8.415 1.00 0.00 C ATOM 22 O SER A 3 8.426 4.636 9.358 1.00 0.00 O ATOM 23 CB SER A 3 9.135 7.595 8.819 1.00 0.00 C ATOM 24 OG SER A 3 10.553 7.733 8.841 1.00 0.00 O ATOM 0 H SER A 3 6.730 5.732 7.897 1.00 0.00 H new ATOM 0 HA SER A 3 9.193 6.644 6.907 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.683 8.542 8.525 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.777 7.370 9.824 1.00 0.00 H new ATOM 0 HG SER A 3 10.803 8.447 9.465 1.00 0.00 H new ATOM 30 N GLY A 4 10.070 4.524 7.808 1.00 0.00 N ATOM 31 CA GLY A 4 10.532 3.214 8.231 1.00 0.00 C ATOM 32 C GLY A 4 10.930 2.358 7.027 1.00 0.00 C ATOM 33 O GLY A 4 11.097 2.873 5.923 1.00 0.00 O ATOM 0 H GLY A 4 10.587 4.927 7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.385 3.324 8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.746 2.712 8.795 1.00 0.00 H new ATOM 37 N SER A 5 11.070 1.065 7.282 1.00 0.00 N ATOM 38 CA SER A 5 11.445 0.132 6.232 1.00 0.00 C ATOM 39 C SER A 5 12.821 0.500 5.673 1.00 0.00 C ATOM 40 O SER A 5 13.010 1.599 5.153 1.00 0.00 O ATOM 41 CB SER A 5 10.404 0.116 5.112 1.00 0.00 C ATOM 42 OG SER A 5 9.142 -0.368 5.563 1.00 0.00 O ATOM 0 H SER A 5 10.931 0.642 8.199 1.00 0.00 H new ATOM 0 HA SER A 5 11.490 -0.868 6.663 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.285 1.124 4.714 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.761 -0.510 4.294 1.00 0.00 H new ATOM 0 HG SER A 5 8.504 -0.361 4.819 1.00 0.00 H new ATOM 48 N SER A 6 13.746 -0.440 5.799 1.00 0.00 N ATOM 49 CA SER A 6 15.099 -0.228 5.312 1.00 0.00 C ATOM 50 C SER A 6 15.969 -1.444 5.637 1.00 0.00 C ATOM 51 O SER A 6 16.061 -1.854 6.793 1.00 0.00 O ATOM 52 CB SER A 6 15.710 1.038 5.916 1.00 0.00 C ATOM 53 OG SER A 6 16.219 1.915 4.915 1.00 0.00 O ATOM 0 H SER A 6 13.586 -1.350 6.231 1.00 0.00 H new ATOM 0 HA SER A 6 15.056 -0.098 4.231 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.955 1.559 6.505 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.513 0.762 6.599 1.00 0.00 H new ATOM 0 HG SER A 6 16.599 2.712 5.341 1.00 0.00 H new ATOM 59 N GLY A 7 16.584 -1.987 4.597 1.00 0.00 N ATOM 60 CA GLY A 7 17.442 -3.148 4.757 1.00 0.00 C ATOM 61 C GLY A 7 17.208 -4.163 3.636 1.00 0.00 C ATOM 62 O GLY A 7 17.755 -4.022 2.543 1.00 0.00 O ATOM 0 H GLY A 7 16.505 -1.644 3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.486 -2.835 4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.250 -3.616 5.722 1.00 0.00 H new ATOM 66 N LYS A 8 16.395 -5.162 3.946 1.00 0.00 N ATOM 67 CA LYS A 8 16.082 -6.199 2.978 1.00 0.00 C ATOM 68 C LYS A 8 14.573 -6.451 2.977 1.00 0.00 C ATOM 69 O LYS A 8 14.050 -7.115 3.871 1.00 0.00 O ATOM 70 CB LYS A 8 16.915 -7.454 3.249 1.00 0.00 C ATOM 71 CG LYS A 8 16.531 -8.087 4.588 1.00 0.00 C ATOM 72 CD LYS A 8 15.761 -9.392 4.376 1.00 0.00 C ATOM 73 CE LYS A 8 16.565 -10.592 4.882 1.00 0.00 C ATOM 74 NZ LYS A 8 17.632 -10.945 3.919 1.00 0.00 N ATOM 0 H LYS A 8 15.944 -5.275 4.854 1.00 0.00 H new ATOM 0 HA LYS A 8 16.352 -5.876 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.765 -8.175 2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.974 -7.198 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 8 17.430 -8.282 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 8 15.921 -7.390 5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.806 -9.344 4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.539 -9.519 3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.005 -10.360 5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.903 -11.445 5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.168 -11.761 4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.206 -11.187 3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.274 -10.135 3.800 1.00 0.00 H new ATOM 88 N VAL A 9 13.915 -5.908 1.963 1.00 0.00 N ATOM 89 CA VAL A 9 12.476 -6.065 1.834 1.00 0.00 C ATOM 90 C VAL A 9 12.172 -6.971 0.639 1.00 0.00 C ATOM 91 O VAL A 9 11.439 -7.950 0.768 1.00 0.00 O ATOM 92 CB VAL A 9 11.807 -4.693 1.730 1.00 0.00 C ATOM 93 CG1 VAL A 9 10.292 -4.834 1.571 1.00 0.00 C ATOM 94 CG2 VAL A 9 12.153 -3.822 2.939 1.00 0.00 C ATOM 0 H VAL A 9 14.352 -5.359 1.223 1.00 0.00 H new ATOM 0 HA VAL A 9 12.063 -6.546 2.720 1.00 0.00 H new ATOM 0 HB VAL A 9 12.193 -4.198 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.840 -3.845 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.072 -5.400 0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.883 -5.358 2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.665 -2.852 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.808 -4.311 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 9 13.233 -3.681 2.989 1.00 0.00 H new ATOM 104 N SER A 10 12.751 -6.612 -0.498 1.00 0.00 N ATOM 105 CA SER A 10 12.551 -7.379 -1.715 1.00 0.00 C ATOM 106 C SER A 10 11.055 -7.534 -1.996 1.00 0.00 C ATOM 107 O SER A 10 10.223 -7.189 -1.158 1.00 0.00 O ATOM 108 CB SER A 10 13.217 -8.753 -1.616 1.00 0.00 C ATOM 109 OG SER A 10 14.142 -8.820 -0.534 1.00 0.00 O ATOM 0 H SER A 10 13.359 -5.799 -0.601 1.00 0.00 H new ATOM 0 HA SER A 10 13.015 -6.838 -2.540 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.452 -9.519 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.734 -8.973 -2.550 1.00 0.00 H new ATOM 0 HG SER A 10 14.545 -9.713 -0.503 1.00 0.00 H new ATOM 115 N PRO A 11 10.750 -8.067 -3.210 1.00 0.00 N ATOM 116 CA PRO A 11 9.369 -8.272 -3.612 1.00 0.00 C ATOM 117 C PRO A 11 8.761 -9.477 -2.891 1.00 0.00 C ATOM 118 O PRO A 11 9.483 -10.294 -2.322 1.00 0.00 O ATOM 119 CB PRO A 11 9.420 -8.446 -5.121 1.00 0.00 C ATOM 120 CG PRO A 11 10.862 -8.796 -5.451 1.00 0.00 C ATOM 121 CD PRO A 11 11.709 -8.488 -4.227 1.00 0.00 C ATOM 0 HA PRO A 11 8.724 -7.436 -3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.742 -9.235 -5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.113 -7.532 -5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.947 -9.849 -5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.208 -8.220 -6.309 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.271 -9.364 -3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.436 -7.703 -4.435 1.00 0.00 H new ATOM 129 N PRO A 12 7.404 -9.551 -2.939 1.00 0.00 N ATOM 130 CA PRO A 12 6.690 -10.642 -2.298 1.00 0.00 C ATOM 131 C PRO A 12 6.824 -11.935 -3.106 1.00 0.00 C ATOM 132 O PRO A 12 7.648 -12.020 -4.016 1.00 0.00 O ATOM 133 CB PRO A 12 5.254 -10.160 -2.184 1.00 0.00 C ATOM 134 CG PRO A 12 5.117 -9.017 -3.177 1.00 0.00 C ATOM 135 CD PRO A 12 6.516 -8.601 -3.604 1.00 0.00 C ATOM 0 HA PRO A 12 7.093 -10.888 -1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.553 -10.963 -2.414 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.034 -9.825 -1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.531 -9.330 -4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.591 -8.177 -2.723 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.629 -8.645 -4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.734 -7.577 -3.302 1.00 0.00 H new ATOM 143 N GLU A 13 6.002 -12.909 -2.744 1.00 0.00 N ATOM 144 CA GLU A 13 6.019 -14.193 -3.424 1.00 0.00 C ATOM 145 C GLU A 13 4.769 -14.350 -4.292 1.00 0.00 C ATOM 146 O GLU A 13 4.857 -14.779 -5.442 1.00 0.00 O ATOM 147 CB GLU A 13 6.138 -15.343 -2.422 1.00 0.00 C ATOM 148 CG GLU A 13 7.562 -15.900 -2.393 1.00 0.00 C ATOM 149 CD GLU A 13 7.574 -17.349 -1.903 1.00 0.00 C ATOM 150 OE1 GLU A 13 6.703 -17.673 -1.068 1.00 0.00 O ATOM 151 OE2 GLU A 13 8.455 -18.100 -2.375 1.00 0.00 O ATOM 0 H GLU A 13 5.320 -12.835 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 13 6.895 -14.227 -4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.860 -14.994 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.439 -16.136 -2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.998 -15.846 -3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.183 -15.286 -1.740 1.00 0.00 H new ATOM 158 N ASP A 14 3.634 -13.993 -3.710 1.00 0.00 N ATOM 159 CA ASP A 14 2.368 -14.089 -4.416 1.00 0.00 C ATOM 160 C ASP A 14 2.295 -12.987 -5.475 1.00 0.00 C ATOM 161 O ASP A 14 2.111 -11.816 -5.146 1.00 0.00 O ATOM 162 CB ASP A 14 1.188 -13.904 -3.459 1.00 0.00 C ATOM 163 CG ASP A 14 0.373 -15.169 -3.185 1.00 0.00 C ATOM 164 OD1 ASP A 14 0.909 -16.046 -2.474 1.00 0.00 O ATOM 165 OD2 ASP A 14 -0.768 -15.231 -3.692 1.00 0.00 O ATOM 0 H ASP A 14 3.565 -13.637 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 14 2.311 -15.077 -4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.565 -13.521 -2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.523 -13.143 -3.869 1.00 0.00 H new ATOM 170 N GLU A 15 2.443 -13.402 -6.725 1.00 0.00 N ATOM 171 CA GLU A 15 2.396 -12.464 -7.834 1.00 0.00 C ATOM 172 C GLU A 15 1.106 -11.643 -7.782 1.00 0.00 C ATOM 173 O GLU A 15 1.145 -10.415 -7.839 1.00 0.00 O ATOM 174 CB GLU A 15 2.528 -13.193 -9.173 1.00 0.00 C ATOM 175 CG GLU A 15 3.998 -13.367 -9.560 1.00 0.00 C ATOM 176 CD GLU A 15 4.129 -14.027 -10.934 1.00 0.00 C ATOM 177 OE1 GLU A 15 4.129 -15.276 -10.967 1.00 0.00 O ATOM 178 OE2 GLU A 15 4.226 -13.266 -11.922 1.00 0.00 O ATOM 0 H GLU A 15 2.595 -14.374 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 15 3.241 -11.781 -7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.047 -14.169 -9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.008 -12.632 -9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.492 -12.396 -9.571 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.505 -13.975 -8.811 1.00 0.00 H new ATOM 185 N GLU A 16 -0.007 -12.355 -7.673 1.00 0.00 N ATOM 186 CA GLU A 16 -1.306 -11.707 -7.613 1.00 0.00 C ATOM 187 C GLU A 16 -1.257 -10.507 -6.665 1.00 0.00 C ATOM 188 O GLU A 16 -1.971 -9.525 -6.863 1.00 0.00 O ATOM 189 CB GLU A 16 -2.393 -12.697 -7.188 1.00 0.00 C ATOM 190 CG GLU A 16 -2.955 -13.446 -8.398 1.00 0.00 C ATOM 191 CD GLU A 16 -4.212 -14.233 -8.020 1.00 0.00 C ATOM 192 OE1 GLU A 16 -4.046 -15.396 -7.595 1.00 0.00 O ATOM 193 OE2 GLU A 16 -5.310 -13.653 -8.165 1.00 0.00 O ATOM 0 H GLU A 16 -0.035 -13.373 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.558 -11.347 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.982 -13.410 -6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.197 -12.164 -6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.190 -12.737 -9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.200 -14.127 -8.792 1.00 0.00 H new ATOM 200 N ALA A 17 -0.408 -10.626 -5.654 1.00 0.00 N ATOM 201 CA ALA A 17 -0.257 -9.563 -4.675 1.00 0.00 C ATOM 202 C ALA A 17 0.574 -8.431 -5.282 1.00 0.00 C ATOM 203 O ALA A 17 0.124 -7.288 -5.339 1.00 0.00 O ATOM 204 CB ALA A 17 0.372 -10.129 -3.400 1.00 0.00 C ATOM 0 H ALA A 17 0.182 -11.442 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.229 -9.150 -4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.485 -9.332 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.271 -10.909 -2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.350 -10.550 -3.633 1.00 0.00 H new ATOM 210 N LYS A 18 1.773 -8.789 -5.720 1.00 0.00 N ATOM 211 CA LYS A 18 2.671 -7.817 -6.321 1.00 0.00 C ATOM 212 C LYS A 18 1.868 -6.876 -7.222 1.00 0.00 C ATOM 213 O LYS A 18 2.234 -5.714 -7.394 1.00 0.00 O ATOM 214 CB LYS A 18 3.822 -8.524 -7.039 1.00 0.00 C ATOM 215 CG LYS A 18 5.158 -7.845 -6.733 1.00 0.00 C ATOM 216 CD LYS A 18 6.332 -8.738 -7.140 1.00 0.00 C ATOM 217 CE LYS A 18 6.494 -8.772 -8.661 1.00 0.00 C ATOM 218 NZ LYS A 18 7.851 -9.235 -9.028 1.00 0.00 N ATOM 0 H LYS A 18 2.143 -9.738 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 18 3.137 -7.201 -5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.862 -9.568 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.644 -8.516 -8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.218 -6.895 -7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.220 -7.619 -5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.250 -8.370 -6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.172 -9.749 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.747 -9.435 -9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.318 -7.778 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.944 -9.252 -10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.559 -8.587 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.005 -10.192 -8.651 1.00 0.00 H new ATOM 232 N ASN A 19 0.790 -7.413 -7.773 1.00 0.00 N ATOM 233 CA ASN A 19 -0.067 -6.636 -8.652 1.00 0.00 C ATOM 234 C ASN A 19 -1.089 -5.868 -7.812 1.00 0.00 C ATOM 235 O ASN A 19 -1.265 -4.663 -7.990 1.00 0.00 O ATOM 236 CB ASN A 19 -0.834 -7.543 -9.617 1.00 0.00 C ATOM 237 CG ASN A 19 -1.514 -6.724 -10.716 1.00 0.00 C ATOM 238 OD1 ASN A 19 -1.157 -5.591 -10.993 1.00 0.00 O ATOM 239 ND2 ASN A 19 -2.512 -7.358 -11.324 1.00 0.00 N ATOM 0 H ASN A 19 0.490 -8.377 -7.628 1.00 0.00 H new ATOM 0 HA ASN A 19 0.564 -5.955 -9.222 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.150 -8.263 -10.066 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.583 -8.114 -9.068 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.030 -6.896 -12.071 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.760 -8.307 -11.043 1.00 0.00 H new ATOM 246 N LEU A 20 -1.737 -6.596 -6.914 1.00 0.00 N ATOM 247 CA LEU A 20 -2.737 -5.998 -6.046 1.00 0.00 C ATOM 248 C LEU A 20 -2.106 -4.839 -5.271 1.00 0.00 C ATOM 249 O LEU A 20 -2.665 -3.745 -5.219 1.00 0.00 O ATOM 250 CB LEU A 20 -3.375 -7.062 -5.151 1.00 0.00 C ATOM 251 CG LEU A 20 -4.569 -7.811 -5.746 1.00 0.00 C ATOM 252 CD1 LEU A 20 -5.245 -8.690 -4.691 1.00 0.00 C ATOM 253 CD2 LEU A 20 -5.554 -6.840 -6.399 1.00 0.00 C ATOM 0 H LEU A 20 -1.589 -7.595 -6.769 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.553 -5.580 -6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.610 -7.791 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.696 -6.585 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.202 -8.473 -6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.091 -9.212 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.529 -9.419 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.598 -8.066 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.393 -7.398 -6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.920 -6.136 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.051 -6.294 -7.197 1.00 0.00 H new ATOM 265 N ALA A 21 -0.950 -5.120 -4.687 1.00 0.00 N ATOM 266 CA ALA A 21 -0.237 -4.115 -3.917 1.00 0.00 C ATOM 267 C ALA A 21 -0.029 -2.870 -4.780 1.00 0.00 C ATOM 268 O ALA A 21 -0.583 -1.810 -4.492 1.00 0.00 O ATOM 269 CB ALA A 21 1.082 -4.701 -3.410 1.00 0.00 C ATOM 0 H ALA A 21 -0.490 -6.029 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.818 -3.817 -3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.617 -3.947 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.877 -5.565 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.693 -5.009 -4.258 1.00 0.00 H new ATOM 275 N GLU A 22 0.772 -3.039 -5.822 1.00 0.00 N ATOM 276 CA GLU A 22 1.060 -1.941 -6.730 1.00 0.00 C ATOM 277 C GLU A 22 -0.214 -1.146 -7.023 1.00 0.00 C ATOM 278 O GLU A 22 -0.308 0.031 -6.677 1.00 0.00 O ATOM 279 CB GLU A 22 1.697 -2.453 -8.024 1.00 0.00 C ATOM 280 CG GLU A 22 2.956 -1.655 -8.368 1.00 0.00 C ATOM 281 CD GLU A 22 2.864 -1.065 -9.777 1.00 0.00 C ATOM 282 OE1 GLU A 22 1.734 -0.697 -10.165 1.00 0.00 O ATOM 283 OE2 GLU A 22 3.925 -0.996 -10.434 1.00 0.00 O ATOM 0 H GLU A 22 1.230 -3.919 -6.058 1.00 0.00 H new ATOM 0 HA GLU A 22 1.777 -1.276 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.949 -3.508 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.980 -2.378 -8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.092 -0.853 -7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.831 -2.301 -8.297 1.00 0.00 H new ATOM 290 N LYS A 23 -1.162 -1.820 -7.657 1.00 0.00 N ATOM 291 CA LYS A 23 -2.425 -1.191 -8.000 1.00 0.00 C ATOM 292 C LYS A 23 -2.931 -0.384 -6.802 1.00 0.00 C ATOM 293 O LYS A 23 -2.944 0.845 -6.838 1.00 0.00 O ATOM 294 CB LYS A 23 -3.424 -2.234 -8.504 1.00 0.00 C ATOM 295 CG LYS A 23 -3.567 -2.167 -10.026 1.00 0.00 C ATOM 296 CD LYS A 23 -3.899 -3.542 -10.607 1.00 0.00 C ATOM 297 CE LYS A 23 -5.389 -3.653 -10.938 1.00 0.00 C ATOM 298 NZ LYS A 23 -5.643 -3.231 -12.334 1.00 0.00 N ATOM 0 H LYS A 23 -1.080 -2.796 -7.942 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.289 -0.489 -8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.094 -3.230 -8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.395 -2.069 -8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.351 -1.458 -10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.641 -1.797 -10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.309 -3.712 -11.508 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.623 -4.318 -9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.723 -4.681 -10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.967 -3.032 -10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.659 -3.312 -12.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.342 -2.243 -12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.107 -3.840 -12.984 1.00 0.00 H new ATOM 312 N LEU A 24 -3.334 -1.109 -5.769 1.00 0.00 N ATOM 313 CA LEU A 24 -3.839 -0.477 -4.562 1.00 0.00 C ATOM 314 C LEU A 24 -2.992 0.757 -4.246 1.00 0.00 C ATOM 315 O LEU A 24 -3.512 1.767 -3.774 1.00 0.00 O ATOM 316 CB LEU A 24 -3.906 -1.488 -3.415 1.00 0.00 C ATOM 317 CG LEU A 24 -5.158 -1.425 -2.539 1.00 0.00 C ATOM 318 CD1 LEU A 24 -5.155 -0.168 -1.667 1.00 0.00 C ATOM 319 CD2 LEU A 24 -6.427 -1.532 -3.387 1.00 0.00 C ATOM 0 H LEU A 24 -3.321 -2.129 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.862 -0.132 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.831 -2.491 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.033 -1.344 -2.778 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.147 -2.283 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.056 -0.148 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.277 -0.175 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.130 0.716 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.302 -1.485 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.458 -0.709 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.426 -2.479 -3.926 1.00 0.00 H new ATOM 331 N ALA A 25 -1.701 0.635 -4.519 1.00 0.00 N ATOM 332 CA ALA A 25 -0.777 1.729 -4.269 1.00 0.00 C ATOM 333 C ALA A 25 -1.012 2.834 -5.300 1.00 0.00 C ATOM 334 O ALA A 25 -1.399 3.947 -4.946 1.00 0.00 O ATOM 335 CB ALA A 25 0.658 1.200 -4.297 1.00 0.00 C ATOM 0 H ALA A 25 -1.273 -0.204 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.947 2.158 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.352 2.020 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.780 0.438 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.866 0.765 -5.274 1.00 0.00 H new ATOM 341 N ARG A 26 -0.767 2.490 -6.556 1.00 0.00 N ATOM 342 CA ARG A 26 -0.947 3.440 -7.641 1.00 0.00 C ATOM 343 C ARG A 26 -2.335 4.077 -7.564 1.00 0.00 C ATOM 344 O ARG A 26 -2.524 5.216 -7.989 1.00 0.00 O ATOM 345 CB ARG A 26 -0.779 2.760 -9.001 1.00 0.00 C ATOM 346 CG ARG A 26 -2.128 2.290 -9.549 1.00 0.00 C ATOM 347 CD ARG A 26 -2.869 3.437 -10.241 1.00 0.00 C ATOM 348 NE ARG A 26 -3.434 2.972 -11.527 1.00 0.00 N ATOM 349 CZ ARG A 26 -3.862 3.789 -12.499 1.00 0.00 C ATOM 350 NH1 ARG A 26 -3.791 5.118 -12.336 1.00 0.00 N ATOM 351 NH2 ARG A 26 -4.361 3.278 -13.632 1.00 0.00 N ATOM 0 H ARG A 26 -0.445 1.567 -6.847 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.184 4.211 -7.537 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.319 3.454 -9.704 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.105 1.909 -8.905 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.973 1.474 -10.255 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.738 1.897 -8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.667 3.807 -9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.187 4.270 -10.414 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.502 1.966 -11.683 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.411 5.506 -11.473 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.117 5.741 -13.075 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.415 2.267 -13.755 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.687 3.900 -14.372 1.00 0.00 H new ATOM 365 N PHE A 27 -3.272 3.314 -7.020 1.00 0.00 N ATOM 366 CA PHE A 27 -4.638 3.790 -6.882 1.00 0.00 C ATOM 367 C PHE A 27 -4.749 4.821 -5.757 1.00 0.00 C ATOM 368 O PHE A 27 -5.152 5.959 -5.991 1.00 0.00 O ATOM 369 CB PHE A 27 -5.501 2.576 -6.532 1.00 0.00 C ATOM 370 CG PHE A 27 -6.876 2.933 -5.963 1.00 0.00 C ATOM 371 CD1 PHE A 27 -7.726 3.716 -6.680 1.00 0.00 C ATOM 372 CD2 PHE A 27 -7.248 2.467 -4.741 1.00 0.00 C ATOM 373 CE1 PHE A 27 -9.002 4.048 -6.152 1.00 0.00 C ATOM 374 CE2 PHE A 27 -8.524 2.798 -4.213 1.00 0.00 C ATOM 375 CZ PHE A 27 -9.374 3.582 -4.929 1.00 0.00 C ATOM 0 H PHE A 27 -3.112 2.370 -6.670 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.961 4.266 -7.808 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.636 1.969 -7.427 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.968 1.961 -5.807 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.431 4.085 -7.651 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.573 1.845 -4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.677 4.670 -6.721 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.820 2.427 -3.243 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.344 3.835 -4.527 1.00 0.00 H new ATOM 385 N ILE A 28 -4.383 4.385 -4.560 1.00 0.00 N ATOM 386 CA ILE A 28 -4.437 5.256 -3.398 1.00 0.00 C ATOM 387 C ILE A 28 -3.533 6.468 -3.633 1.00 0.00 C ATOM 388 O ILE A 28 -3.881 7.588 -3.260 1.00 0.00 O ATOM 389 CB ILE A 28 -4.099 4.475 -2.127 1.00 0.00 C ATOM 390 CG1 ILE A 28 -5.257 3.560 -1.722 1.00 0.00 C ATOM 391 CG2 ILE A 28 -3.691 5.419 -0.995 1.00 0.00 C ATOM 392 CD1 ILE A 28 -4.851 2.641 -0.568 1.00 0.00 C ATOM 0 H ILE A 28 -4.048 3.440 -4.370 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.449 5.635 -3.252 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.241 3.836 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.116 4.163 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.568 2.960 -2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.456 4.838 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.814 5.991 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.512 6.102 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.692 2.001 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.008 2.022 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.564 3.244 0.294 1.00 0.00 H new ATOM 404 N ALA A 29 -2.391 6.204 -4.251 1.00 0.00 N ATOM 405 CA ALA A 29 -1.435 7.260 -4.540 1.00 0.00 C ATOM 406 C ALA A 29 -2.056 8.247 -5.530 1.00 0.00 C ATOM 407 O ALA A 29 -1.607 9.387 -5.640 1.00 0.00 O ATOM 408 CB ALA A 29 -0.138 6.643 -5.067 1.00 0.00 C ATOM 0 H ALA A 29 -2.106 5.274 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.188 7.814 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.579 7.434 -5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.278 5.972 -4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.346 6.082 -5.978 1.00 0.00 H new ATOM 414 N ASP A 30 -3.079 7.773 -6.226 1.00 0.00 N ATOM 415 CA ASP A 30 -3.766 8.600 -7.204 1.00 0.00 C ATOM 416 C ASP A 30 -4.862 9.406 -6.503 1.00 0.00 C ATOM 417 O ASP A 30 -5.537 10.220 -7.132 1.00 0.00 O ATOM 418 CB ASP A 30 -4.428 7.742 -8.283 1.00 0.00 C ATOM 419 CG ASP A 30 -4.019 8.078 -9.718 1.00 0.00 C ATOM 420 OD1 ASP A 30 -4.397 9.179 -10.174 1.00 0.00 O ATOM 421 OD2 ASP A 30 -3.336 7.227 -10.328 1.00 0.00 O ATOM 0 H ASP A 30 -3.449 6.827 -6.132 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.030 9.257 -7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.192 6.696 -8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.510 7.846 -8.196 1.00 0.00 H new ATOM 426 N GLY A 31 -5.004 9.153 -5.211 1.00 0.00 N ATOM 427 CA GLY A 31 -6.006 9.845 -4.418 1.00 0.00 C ATOM 428 C GLY A 31 -5.353 10.668 -3.306 1.00 0.00 C ATOM 429 O GLY A 31 -4.548 11.558 -3.578 1.00 0.00 O ATOM 0 H GLY A 31 -4.442 8.478 -4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.596 10.499 -5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.694 9.121 -3.983 1.00 0.00 H new ATOM 433 N GLY A 32 -5.723 10.342 -2.076 1.00 0.00 N ATOM 434 CA GLY A 32 -5.183 11.040 -0.922 1.00 0.00 C ATOM 435 C GLY A 32 -5.714 10.439 0.380 1.00 0.00 C ATOM 436 O GLY A 32 -5.810 9.219 0.512 1.00 0.00 O ATOM 0 H GLY A 32 -6.390 9.603 -1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.095 10.984 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.448 12.096 -0.974 1.00 0.00 H new ATOM 440 N PRO A 33 -6.056 11.345 1.335 1.00 0.00 N ATOM 441 CA PRO A 33 -6.575 10.917 2.623 1.00 0.00 C ATOM 442 C PRO A 33 -8.026 10.448 2.500 1.00 0.00 C ATOM 443 O PRO A 33 -8.627 10.013 3.481 1.00 0.00 O ATOM 444 CB PRO A 33 -6.415 12.124 3.532 1.00 0.00 C ATOM 445 CG PRO A 33 -6.247 13.321 2.611 1.00 0.00 C ATOM 446 CD PRO A 33 -5.956 12.797 1.214 1.00 0.00 C ATOM 0 HA PRO A 33 -6.041 10.057 3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.286 12.246 4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.550 12.009 4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.150 13.931 2.609 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.433 13.958 2.957 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.672 13.184 0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.965 13.099 0.876 1.00 0.00 H new ATOM 454 N GLU A 34 -8.548 10.553 1.287 1.00 0.00 N ATOM 455 CA GLU A 34 -9.918 10.146 1.023 1.00 0.00 C ATOM 456 C GLU A 34 -9.952 8.710 0.496 1.00 0.00 C ATOM 457 O GLU A 34 -10.748 7.894 0.958 1.00 0.00 O ATOM 458 CB GLU A 34 -10.597 11.106 0.044 1.00 0.00 C ATOM 459 CG GLU A 34 -11.160 12.326 0.775 1.00 0.00 C ATOM 460 CD GLU A 34 -11.827 13.293 -0.206 1.00 0.00 C ATOM 461 OE1 GLU A 34 -13.028 13.082 -0.482 1.00 0.00 O ATOM 462 OE2 GLU A 34 -11.121 14.220 -0.657 1.00 0.00 O ATOM 0 H GLU A 34 -8.047 10.914 0.475 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.474 10.182 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.880 11.429 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.401 10.589 -0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.884 12.004 1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.358 12.838 1.307 1.00 0.00 H new ATOM 469 N VAL A 35 -9.078 8.445 -0.464 1.00 0.00 N ATOM 470 CA VAL A 35 -8.998 7.122 -1.059 1.00 0.00 C ATOM 471 C VAL A 35 -8.532 6.119 -0.002 1.00 0.00 C ATOM 472 O VAL A 35 -9.051 5.007 0.076 1.00 0.00 O ATOM 473 CB VAL A 35 -8.092 7.156 -2.292 1.00 0.00 C ATOM 474 CG1 VAL A 35 -6.616 7.146 -1.888 1.00 0.00 C ATOM 475 CG2 VAL A 35 -8.409 5.996 -3.238 1.00 0.00 C ATOM 0 H VAL A 35 -8.419 9.124 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.980 6.798 -1.403 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.287 8.086 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.994 7.171 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.401 8.020 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.400 6.241 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.751 6.044 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.256 5.050 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.446 6.066 -3.565 1.00 0.00 H new ATOM 485 N GLU A 36 -7.557 6.549 0.786 1.00 0.00 N ATOM 486 CA GLU A 36 -7.015 5.703 1.835 1.00 0.00 C ATOM 487 C GLU A 36 -8.120 5.291 2.809 1.00 0.00 C ATOM 488 O GLU A 36 -7.937 4.375 3.610 1.00 0.00 O ATOM 489 CB GLU A 36 -5.871 6.405 2.569 1.00 0.00 C ATOM 490 CG GLU A 36 -6.399 7.234 3.742 1.00 0.00 C ATOM 491 CD GLU A 36 -5.256 7.946 4.468 1.00 0.00 C ATOM 492 OE1 GLU A 36 -4.388 8.497 3.758 1.00 0.00 O ATOM 493 OE2 GLU A 36 -5.277 7.923 5.718 1.00 0.00 O ATOM 0 H GLU A 36 -7.129 7.472 0.719 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.609 4.802 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.159 5.664 2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.332 7.051 1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.117 7.969 3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.930 6.587 4.440 1.00 0.00 H new ATOM 500 N THR A 37 -9.244 5.986 2.708 1.00 0.00 N ATOM 501 CA THR A 37 -10.379 5.704 3.570 1.00 0.00 C ATOM 502 C THR A 37 -11.322 4.704 2.899 1.00 0.00 C ATOM 503 O THR A 37 -11.488 3.584 3.379 1.00 0.00 O ATOM 504 CB THR A 37 -11.050 7.034 3.918 1.00 0.00 C ATOM 505 OG1 THR A 37 -10.040 7.762 4.611 1.00 0.00 O ATOM 506 CG2 THR A 37 -12.168 6.873 4.950 1.00 0.00 C ATOM 0 H THR A 37 -9.393 6.744 2.042 1.00 0.00 H new ATOM 0 HA THR A 37 -10.063 5.231 4.499 1.00 0.00 H new ATOM 0 HB THR A 37 -11.455 7.484 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.711 8.489 4.041 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.611 7.846 5.162 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.933 6.204 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.758 6.454 5.869 1.00 0.00 H new ATOM 514 N ILE A 38 -11.916 5.145 1.800 1.00 0.00 N ATOM 515 CA ILE A 38 -12.839 4.303 1.058 1.00 0.00 C ATOM 516 C ILE A 38 -12.113 3.034 0.606 1.00 0.00 C ATOM 517 O ILE A 38 -12.678 1.942 0.652 1.00 0.00 O ATOM 518 CB ILE A 38 -13.477 5.088 -0.089 1.00 0.00 C ATOM 519 CG1 ILE A 38 -14.537 6.060 0.434 1.00 0.00 C ATOM 520 CG2 ILE A 38 -14.040 4.144 -1.153 1.00 0.00 C ATOM 521 CD1 ILE A 38 -14.019 7.499 0.414 1.00 0.00 C ATOM 0 H ILE A 38 -11.776 6.075 1.405 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.665 3.989 1.696 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.701 5.685 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.437 5.985 -0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.818 5.785 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.488 4.728 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.236 3.529 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.798 3.502 -0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.792 8.169 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -13.133 7.576 1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.762 7.779 -0.608 1.00 0.00 H new ATOM 533 N ALA A 39 -10.873 3.220 0.180 1.00 0.00 N ATOM 534 CA ALA A 39 -10.064 2.104 -0.281 1.00 0.00 C ATOM 535 C ALA A 39 -9.859 1.119 0.872 1.00 0.00 C ATOM 536 O ALA A 39 -10.082 -0.080 0.716 1.00 0.00 O ATOM 537 CB ALA A 39 -8.741 2.629 -0.842 1.00 0.00 C ATOM 0 H ALA A 39 -10.408 4.127 0.144 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.569 1.570 -1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.135 1.792 -1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.941 3.301 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.204 3.169 -0.062 1.00 0.00 H new ATOM 543 N LEU A 40 -9.436 1.663 2.004 1.00 0.00 N ATOM 544 CA LEU A 40 -9.199 0.847 3.183 1.00 0.00 C ATOM 545 C LEU A 40 -10.526 0.262 3.669 1.00 0.00 C ATOM 546 O LEU A 40 -10.660 -0.953 3.809 1.00 0.00 O ATOM 547 CB LEU A 40 -8.453 1.651 4.250 1.00 0.00 C ATOM 548 CG LEU A 40 -6.977 1.937 3.965 1.00 0.00 C ATOM 549 CD1 LEU A 40 -6.348 2.751 5.097 1.00 0.00 C ATOM 550 CD2 LEU A 40 -6.210 0.642 3.695 1.00 0.00 C ATOM 0 H LEU A 40 -9.251 2.658 2.130 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.550 0.006 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.967 2.602 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.522 1.114 5.196 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.915 2.542 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.299 2.940 4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.874 3.700 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.422 2.193 6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.164 0.874 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.278 -0.009 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.641 0.137 2.830 1.00 0.00 H new ATOM 562 N GLN A 41 -11.475 1.154 3.914 1.00 0.00 N ATOM 563 CA GLN A 41 -12.787 0.742 4.382 1.00 0.00 C ATOM 564 C GLN A 41 -13.331 -0.390 3.508 1.00 0.00 C ATOM 565 O GLN A 41 -14.191 -1.155 3.941 1.00 0.00 O ATOM 566 CB GLN A 41 -13.756 1.926 4.412 1.00 0.00 C ATOM 567 CG GLN A 41 -14.758 1.785 5.559 1.00 0.00 C ATOM 568 CD GLN A 41 -15.471 3.112 5.830 1.00 0.00 C ATOM 569 OE1 GLN A 41 -14.937 4.018 6.447 1.00 0.00 O ATOM 570 NE2 GLN A 41 -16.704 3.174 5.335 1.00 0.00 N ATOM 0 H GLN A 41 -11.361 2.161 3.797 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.687 0.371 5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.197 2.855 4.525 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -14.290 1.988 3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -15.492 1.017 5.313 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -14.241 1.455 6.460 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -17.091 2.378 4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -17.263 4.018 5.463 1.00 0.00 H new ATOM 579 N ASN A 42 -12.807 -0.460 2.293 1.00 0.00 N ATOM 580 CA ASN A 42 -13.229 -1.485 1.354 1.00 0.00 C ATOM 581 C ASN A 42 -12.354 -2.727 1.533 1.00 0.00 C ATOM 582 O ASN A 42 -12.866 -3.830 1.719 1.00 0.00 O ATOM 583 CB ASN A 42 -13.078 -1.004 -0.091 1.00 0.00 C ATOM 584 CG ASN A 42 -14.443 -0.717 -0.719 1.00 0.00 C ATOM 585 OD1 ASN A 42 -15.263 -1.599 -0.915 1.00 0.00 O ATOM 586 ND2 ASN A 42 -14.640 0.562 -1.024 1.00 0.00 N ATOM 0 H ASN A 42 -12.094 0.177 1.937 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.277 -1.712 1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.466 -0.103 -0.116 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.556 -1.760 -0.677 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.520 0.855 -1.449 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.911 1.250 -0.833 1.00 0.00 H new ATOM 593 N ASN A 43 -11.049 -2.506 1.471 1.00 0.00 N ATOM 594 CA ASN A 43 -10.098 -3.593 1.624 1.00 0.00 C ATOM 595 C ASN A 43 -10.466 -4.417 2.860 1.00 0.00 C ATOM 596 O ASN A 43 -10.276 -5.632 2.879 1.00 0.00 O ATOM 597 CB ASN A 43 -8.677 -3.059 1.819 1.00 0.00 C ATOM 598 CG ASN A 43 -8.338 -2.005 0.762 1.00 0.00 C ATOM 599 OD1 ASN A 43 -7.808 -0.946 1.053 1.00 0.00 O ATOM 600 ND2 ASN A 43 -8.673 -2.354 -0.477 1.00 0.00 N ATOM 0 H ASN A 43 -10.628 -1.590 1.317 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.134 -4.202 0.720 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.581 -2.625 2.814 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.964 -3.881 1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.488 -1.719 -1.253 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.114 -3.257 -0.651 1.00 0.00 H new ATOM 607 N ARG A 44 -10.986 -3.723 3.861 1.00 0.00 N ATOM 608 CA ARG A 44 -11.383 -4.375 5.098 1.00 0.00 C ATOM 609 C ARG A 44 -12.222 -5.618 4.796 1.00 0.00 C ATOM 610 O ARG A 44 -11.933 -6.703 5.298 1.00 0.00 O ATOM 611 CB ARG A 44 -12.190 -3.426 5.986 1.00 0.00 C ATOM 612 CG ARG A 44 -11.267 -2.498 6.777 1.00 0.00 C ATOM 613 CD ARG A 44 -11.920 -2.064 8.091 1.00 0.00 C ATOM 614 NE ARG A 44 -10.902 -1.487 8.997 1.00 0.00 N ATOM 615 CZ ARG A 44 -11.187 -0.863 10.148 1.00 0.00 C ATOM 616 NH1 ARG A 44 -12.462 -0.732 10.541 1.00 0.00 N ATOM 617 NH2 ARG A 44 -10.198 -0.371 10.906 1.00 0.00 N ATOM 0 H ARG A 44 -11.142 -2.715 3.841 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.475 -4.665 5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.867 -2.833 5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.808 -4.003 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.326 -3.007 6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.029 -1.619 6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.701 -1.329 7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.400 -2.919 8.568 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.921 -1.570 8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.215 -1.107 9.964 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.679 -0.257 11.417 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.228 -0.471 10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.415 0.104 11.782 1.00 0.00 H new ATOM 631 N GLU A 45 -13.244 -5.419 3.978 1.00 0.00 N ATOM 632 CA GLU A 45 -14.127 -6.510 3.604 1.00 0.00 C ATOM 633 C GLU A 45 -13.340 -7.606 2.882 1.00 0.00 C ATOM 634 O GLU A 45 -13.463 -8.784 3.213 1.00 0.00 O ATOM 635 CB GLU A 45 -15.286 -6.008 2.740 1.00 0.00 C ATOM 636 CG GLU A 45 -16.465 -5.565 3.608 1.00 0.00 C ATOM 637 CD GLU A 45 -17.652 -5.137 2.743 1.00 0.00 C ATOM 638 OE1 GLU A 45 -17.528 -4.077 2.092 1.00 0.00 O ATOM 639 OE2 GLU A 45 -18.658 -5.880 2.751 1.00 0.00 O ATOM 0 H GLU A 45 -13.481 -4.518 3.563 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.553 -6.934 4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.950 -5.174 2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.607 -6.798 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.765 -6.382 4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.159 -4.737 4.248 1.00 0.00 H new ATOM 646 N ASN A 46 -12.550 -7.179 1.908 1.00 0.00 N ATOM 647 CA ASN A 46 -11.743 -8.109 1.136 1.00 0.00 C ATOM 648 C ASN A 46 -10.671 -8.720 2.041 1.00 0.00 C ATOM 649 O ASN A 46 -10.061 -8.019 2.847 1.00 0.00 O ATOM 650 CB ASN A 46 -11.036 -7.397 -0.019 1.00 0.00 C ATOM 651 CG ASN A 46 -12.043 -6.928 -1.071 1.00 0.00 C ATOM 652 OD1 ASN A 46 -12.861 -7.685 -1.567 1.00 0.00 O ATOM 653 ND2 ASN A 46 -11.938 -5.639 -1.383 1.00 0.00 N ATOM 0 H ASN A 46 -12.451 -6.201 1.636 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.404 -8.878 0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.478 -6.542 0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.312 -8.070 -0.478 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.565 -5.229 -2.075 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.230 -5.061 -0.930 1.00 0.00 H new ATOM 660 N GLN A 47 -10.475 -10.020 1.878 1.00 0.00 N ATOM 661 CA GLN A 47 -9.488 -10.733 2.670 1.00 0.00 C ATOM 662 C GLN A 47 -8.147 -10.778 1.933 1.00 0.00 C ATOM 663 O GLN A 47 -7.104 -10.491 2.518 1.00 0.00 O ATOM 664 CB GLN A 47 -9.973 -12.143 3.011 1.00 0.00 C ATOM 665 CG GLN A 47 -10.747 -12.153 4.331 1.00 0.00 C ATOM 666 CD GLN A 47 -11.334 -13.538 4.612 1.00 0.00 C ATOM 667 OE1 GLN A 47 -12.063 -14.105 3.815 1.00 0.00 O ATOM 668 NE2 GLN A 47 -10.976 -14.048 5.787 1.00 0.00 N ATOM 0 H GLN A 47 -10.983 -10.598 1.209 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.347 -10.196 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.610 -12.516 2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.120 -12.818 3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.085 -11.862 5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.549 -11.415 4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.362 -13.519 6.407 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.315 -14.968 6.068 1.00 0.00 H new ATOM 677 N ALA A 48 -8.220 -11.139 0.661 1.00 0.00 N ATOM 678 CA ALA A 48 -7.025 -11.225 -0.162 1.00 0.00 C ATOM 679 C ALA A 48 -6.110 -10.040 0.150 1.00 0.00 C ATOM 680 O ALA A 48 -4.895 -10.200 0.255 1.00 0.00 O ATOM 681 CB ALA A 48 -7.425 -11.280 -1.638 1.00 0.00 C ATOM 0 H ALA A 48 -9.088 -11.375 0.180 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.471 -12.137 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.529 -11.344 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.050 -12.155 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.981 -10.379 -1.898 1.00 0.00 H new ATOM 687 N PHE A 49 -6.728 -8.876 0.291 1.00 0.00 N ATOM 688 CA PHE A 49 -5.984 -7.665 0.590 1.00 0.00 C ATOM 689 C PHE A 49 -5.524 -7.650 2.049 1.00 0.00 C ATOM 690 O PHE A 49 -5.855 -6.733 2.799 1.00 0.00 O ATOM 691 CB PHE A 49 -6.933 -6.488 0.354 1.00 0.00 C ATOM 692 CG PHE A 49 -7.062 -6.076 -1.114 1.00 0.00 C ATOM 693 CD1 PHE A 49 -5.986 -5.573 -1.776 1.00 0.00 C ATOM 694 CD2 PHE A 49 -8.252 -6.214 -1.756 1.00 0.00 C ATOM 695 CE1 PHE A 49 -6.106 -5.191 -3.138 1.00 0.00 C ATOM 696 CE2 PHE A 49 -8.372 -5.832 -3.119 1.00 0.00 C ATOM 697 CZ PHE A 49 -7.296 -5.328 -3.781 1.00 0.00 C ATOM 0 H PHE A 49 -7.736 -8.747 0.204 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.098 -7.607 -0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.920 -6.749 0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.584 -5.632 0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.040 -5.464 -1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.106 -6.614 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.251 -4.791 -3.664 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -9.317 -5.942 -3.629 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.387 -5.037 -4.817 1.00 0.00 H new ATOM 707 N SER A 50 -4.766 -8.676 2.408 1.00 0.00 N ATOM 708 CA SER A 50 -4.257 -8.792 3.763 1.00 0.00 C ATOM 709 C SER A 50 -2.864 -8.166 3.855 1.00 0.00 C ATOM 710 O SER A 50 -2.382 -7.872 4.947 1.00 0.00 O ATOM 711 CB SER A 50 -4.212 -10.254 4.211 1.00 0.00 C ATOM 712 OG SER A 50 -3.646 -11.101 3.215 1.00 0.00 O ATOM 0 H SER A 50 -4.492 -9.434 1.783 1.00 0.00 H new ATOM 0 HA SER A 50 -4.934 -8.256 4.429 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.629 -10.334 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.221 -10.593 4.444 1.00 0.00 H new ATOM 0 HG SER A 50 -3.634 -12.025 3.540 1.00 0.00 H new ATOM 718 N PHE A 51 -2.256 -7.981 2.692 1.00 0.00 N ATOM 719 CA PHE A 51 -0.928 -7.395 2.627 1.00 0.00 C ATOM 720 C PHE A 51 -0.957 -5.922 3.039 1.00 0.00 C ATOM 721 O PHE A 51 0.090 -5.306 3.229 1.00 0.00 O ATOM 722 CB PHE A 51 -0.466 -7.496 1.172 1.00 0.00 C ATOM 723 CG PHE A 51 -1.199 -6.550 0.219 1.00 0.00 C ATOM 724 CD1 PHE A 51 -0.929 -5.218 0.241 1.00 0.00 C ATOM 725 CD2 PHE A 51 -2.122 -7.042 -0.651 1.00 0.00 C ATOM 726 CE1 PHE A 51 -1.610 -4.340 -0.643 1.00 0.00 C ATOM 727 CE2 PHE A 51 -2.803 -6.164 -1.535 1.00 0.00 C ATOM 728 CZ PHE A 51 -2.533 -4.832 -1.512 1.00 0.00 C ATOM 0 H PHE A 51 -2.659 -8.227 1.788 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.256 -7.921 3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.603 -7.286 1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.605 -8.521 0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.196 -4.827 0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.337 -8.100 -0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.395 -3.282 -0.625 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.536 -6.555 -2.226 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.052 -4.164 -2.184 1.00 0.00 H new ATOM 738 N LEU A 52 -2.169 -5.400 3.166 1.00 0.00 N ATOM 739 CA LEU A 52 -2.348 -4.011 3.553 1.00 0.00 C ATOM 740 C LEU A 52 -2.175 -3.882 5.068 1.00 0.00 C ATOM 741 O LEU A 52 -1.645 -2.883 5.552 1.00 0.00 O ATOM 742 CB LEU A 52 -3.689 -3.481 3.040 1.00 0.00 C ATOM 743 CG LEU A 52 -3.761 -3.178 1.542 1.00 0.00 C ATOM 744 CD1 LEU A 52 -5.212 -3.149 1.058 1.00 0.00 C ATOM 745 CD2 LEU A 52 -3.020 -1.882 1.209 1.00 0.00 C ATOM 0 H LEU A 52 -3.036 -5.914 3.008 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.585 -3.385 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.462 -4.211 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.930 -2.570 3.587 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.259 -3.983 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.235 -2.932 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.676 -4.118 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.760 -2.377 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.086 -1.690 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.472 -1.054 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.973 -1.978 1.496 1.00 0.00 H new ATOM 757 N TYR A 53 -2.631 -4.906 5.773 1.00 0.00 N ATOM 758 CA TYR A 53 -2.533 -4.919 7.223 1.00 0.00 C ATOM 759 C TYR A 53 -1.314 -5.722 7.683 1.00 0.00 C ATOM 760 O TYR A 53 -0.414 -5.179 8.321 1.00 0.00 O ATOM 761 CB TYR A 53 -3.803 -5.608 7.726 1.00 0.00 C ATOM 762 CG TYR A 53 -5.052 -5.289 6.902 1.00 0.00 C ATOM 763 CD1 TYR A 53 -5.495 -3.987 6.797 1.00 0.00 C ATOM 764 CD2 TYR A 53 -5.736 -6.304 6.264 1.00 0.00 C ATOM 765 CE1 TYR A 53 -6.671 -3.686 6.021 1.00 0.00 C ATOM 766 CE2 TYR A 53 -6.911 -6.004 5.488 1.00 0.00 C ATOM 767 CZ TYR A 53 -7.321 -4.710 5.405 1.00 0.00 C ATOM 768 OH TYR A 53 -8.431 -4.426 4.673 1.00 0.00 O ATOM 0 H TYR A 53 -3.069 -5.733 5.368 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.427 -3.905 7.609 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.644 -6.686 7.724 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.978 -5.314 8.761 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.960 -3.193 7.297 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.390 -7.324 6.347 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.028 -2.671 5.930 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.455 -6.789 4.983 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.827 -5.259 4.343 1.00 0.00 H new ATOM 778 N ASP A 54 -1.326 -7.002 7.341 1.00 0.00 N ATOM 779 CA ASP A 54 -0.233 -7.885 7.711 1.00 0.00 C ATOM 780 C ASP A 54 1.095 -7.243 7.305 1.00 0.00 C ATOM 781 O ASP A 54 1.419 -7.175 6.120 1.00 0.00 O ATOM 782 CB ASP A 54 -0.346 -9.232 6.994 1.00 0.00 C ATOM 783 CG ASP A 54 -1.316 -10.226 7.635 1.00 0.00 C ATOM 784 OD1 ASP A 54 -1.166 -10.460 8.854 1.00 0.00 O ATOM 785 OD2 ASP A 54 -2.186 -10.731 6.892 1.00 0.00 O ATOM 0 H ASP A 54 -2.075 -7.449 6.812 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.279 -8.045 8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.659 -9.054 5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.643 -9.688 6.952 1.00 0.00 H new ATOM 790 N PRO A 55 1.848 -6.777 8.337 1.00 0.00 N ATOM 791 CA PRO A 55 3.133 -6.144 8.100 1.00 0.00 C ATOM 792 C PRO A 55 4.200 -7.182 7.746 1.00 0.00 C ATOM 793 O PRO A 55 4.938 -7.014 6.777 1.00 0.00 O ATOM 794 CB PRO A 55 3.443 -5.388 9.382 1.00 0.00 C ATOM 795 CG PRO A 55 2.552 -6.000 10.451 1.00 0.00 C ATOM 796 CD PRO A 55 1.496 -6.841 9.753 1.00 0.00 C ATOM 0 HA PRO A 55 3.115 -5.465 7.247 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.496 -5.485 9.648 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.240 -4.323 9.267 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.140 -6.615 11.132 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.083 -5.219 11.050 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.504 -7.868 10.117 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.495 -6.447 9.931 1.00 0.00 H new ATOM 804 N ASN A 56 4.246 -8.234 8.551 1.00 0.00 N ATOM 805 CA ASN A 56 5.209 -9.300 8.335 1.00 0.00 C ATOM 806 C ASN A 56 5.239 -9.661 6.849 1.00 0.00 C ATOM 807 O ASN A 56 6.277 -10.061 6.324 1.00 0.00 O ATOM 808 CB ASN A 56 4.826 -10.556 9.120 1.00 0.00 C ATOM 809 CG ASN A 56 5.907 -10.915 10.141 1.00 0.00 C ATOM 810 OD1 ASN A 56 7.007 -10.390 10.130 1.00 0.00 O ATOM 811 ND2 ASN A 56 5.532 -11.838 11.023 1.00 0.00 N ATOM 0 H ASN A 56 3.632 -8.370 9.354 1.00 0.00 H new ATOM 0 HA ASN A 56 6.184 -8.948 8.673 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.877 -10.394 9.631 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.680 -11.389 8.432 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.182 -12.146 11.746 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.595 -12.237 10.976 1.00 0.00 H new ATOM 818 N SER A 57 4.087 -9.507 6.212 1.00 0.00 N ATOM 819 CA SER A 57 3.968 -9.813 4.796 1.00 0.00 C ATOM 820 C SER A 57 4.769 -8.801 3.974 1.00 0.00 C ATOM 821 O SER A 57 4.376 -7.642 3.856 1.00 0.00 O ATOM 822 CB SER A 57 2.503 -9.815 4.355 1.00 0.00 C ATOM 823 OG SER A 57 2.264 -10.749 3.305 1.00 0.00 O ATOM 0 H SER A 57 3.228 -9.174 6.650 1.00 0.00 H new ATOM 0 HA SER A 57 4.372 -10.811 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.868 -10.057 5.207 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.223 -8.816 4.022 1.00 0.00 H new ATOM 0 HG SER A 57 1.318 -10.722 3.052 1.00 0.00 H new ATOM 829 N GLN A 58 5.878 -9.277 3.426 1.00 0.00 N ATOM 830 CA GLN A 58 6.737 -8.429 2.618 1.00 0.00 C ATOM 831 C GLN A 58 5.894 -7.524 1.717 1.00 0.00 C ATOM 832 O GLN A 58 6.250 -6.371 1.482 1.00 0.00 O ATOM 833 CB GLN A 58 7.715 -9.267 1.793 1.00 0.00 C ATOM 834 CG GLN A 58 8.662 -10.056 2.699 1.00 0.00 C ATOM 835 CD GLN A 58 9.457 -9.118 3.610 1.00 0.00 C ATOM 836 OE1 GLN A 58 9.536 -7.920 3.393 1.00 0.00 O ATOM 837 NE2 GLN A 58 10.042 -9.728 4.637 1.00 0.00 N ATOM 0 H GLN A 58 6.201 -10.239 3.526 1.00 0.00 H new ATOM 0 HA GLN A 58 7.324 -7.798 3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.161 -9.954 1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.292 -8.616 1.136 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.090 -10.759 3.305 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.348 -10.645 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.935 -10.735 4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.597 -9.189 5.301 1.00 0.00 H new ATOM 846 N GLY A 59 4.792 -8.082 1.237 1.00 0.00 N ATOM 847 CA GLY A 59 3.896 -7.340 0.367 1.00 0.00 C ATOM 848 C GLY A 59 3.615 -5.945 0.931 1.00 0.00 C ATOM 849 O GLY A 59 3.864 -4.941 0.266 1.00 0.00 O ATOM 0 H GLY A 59 4.500 -9.039 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.337 -7.253 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.959 -7.886 0.253 1.00 0.00 H new ATOM 853 N TYR A 60 3.099 -5.928 2.151 1.00 0.00 N ATOM 854 CA TYR A 60 2.781 -4.674 2.812 1.00 0.00 C ATOM 855 C TYR A 60 3.889 -3.642 2.591 1.00 0.00 C ATOM 856 O TYR A 60 3.616 -2.505 2.209 1.00 0.00 O ATOM 857 CB TYR A 60 2.690 -4.995 4.305 1.00 0.00 C ATOM 858 CG TYR A 60 2.465 -3.769 5.192 1.00 0.00 C ATOM 859 CD1 TYR A 60 1.364 -2.962 4.989 1.00 0.00 C ATOM 860 CD2 TYR A 60 3.365 -3.470 6.195 1.00 0.00 C ATOM 861 CE1 TYR A 60 1.154 -1.808 5.824 1.00 0.00 C ATOM 862 CE2 TYR A 60 3.154 -2.316 7.031 1.00 0.00 C ATOM 863 CZ TYR A 60 2.059 -1.542 6.804 1.00 0.00 C ATOM 864 OH TYR A 60 1.860 -0.452 7.593 1.00 0.00 O ATOM 0 H TYR A 60 2.893 -6.763 2.699 1.00 0.00 H new ATOM 0 HA TYR A 60 1.855 -4.256 2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.875 -5.701 4.465 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.609 -5.492 4.616 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.660 -3.196 4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.227 -4.101 6.353 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.297 -1.168 5.676 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.850 -2.071 7.820 1.00 0.00 H new ATOM 0 HH TYR A 60 2.584 -0.387 8.250 1.00 0.00 H new ATOM 874 N ARG A 61 5.116 -4.075 2.840 1.00 0.00 N ATOM 875 CA ARG A 61 6.266 -3.203 2.673 1.00 0.00 C ATOM 876 C ARG A 61 6.388 -2.758 1.214 1.00 0.00 C ATOM 877 O ARG A 61 6.626 -1.584 0.938 1.00 0.00 O ATOM 878 CB ARG A 61 7.557 -3.908 3.094 1.00 0.00 C ATOM 879 CG ARG A 61 7.688 -3.950 4.618 1.00 0.00 C ATOM 880 CD ARG A 61 8.425 -5.212 5.070 1.00 0.00 C ATOM 881 NE ARG A 61 8.997 -5.007 6.420 1.00 0.00 N ATOM 882 CZ ARG A 61 9.984 -5.750 6.939 1.00 0.00 C ATOM 883 NH1 ARG A 61 10.514 -6.752 6.224 1.00 0.00 N ATOM 884 NH2 ARG A 61 10.440 -5.492 8.172 1.00 0.00 N ATOM 0 H ARG A 61 5.339 -5.019 3.156 1.00 0.00 H new ATOM 0 HA ARG A 61 6.117 -2.332 3.310 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.567 -4.923 2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.415 -3.389 2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.225 -3.067 4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.698 -3.920 5.073 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.739 -6.059 5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.218 -5.453 4.362 1.00 0.00 H new ATOM 0 HE ARG A 61 8.616 -4.253 6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.166 -6.949 5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.265 -7.318 6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.036 -4.730 8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.191 -6.058 8.567 1.00 0.00 H new ATOM 898 N TYR A 62 6.219 -3.721 0.320 1.00 0.00 N ATOM 899 CA TYR A 62 6.307 -3.443 -1.104 1.00 0.00 C ATOM 900 C TYR A 62 5.178 -2.512 -1.552 1.00 0.00 C ATOM 901 O TYR A 62 5.356 -1.711 -2.468 1.00 0.00 O ATOM 902 CB TYR A 62 6.148 -4.793 -1.807 1.00 0.00 C ATOM 903 CG TYR A 62 5.699 -4.685 -3.266 1.00 0.00 C ATOM 904 CD1 TYR A 62 4.421 -4.257 -3.564 1.00 0.00 C ATOM 905 CD2 TYR A 62 6.571 -5.016 -4.283 1.00 0.00 C ATOM 906 CE1 TYR A 62 3.998 -4.156 -4.937 1.00 0.00 C ATOM 907 CE2 TYR A 62 6.148 -4.914 -5.656 1.00 0.00 C ATOM 908 CZ TYR A 62 4.882 -4.489 -5.915 1.00 0.00 C ATOM 909 OH TYR A 62 4.482 -4.394 -7.211 1.00 0.00 O ATOM 0 H TYR A 62 6.022 -4.694 0.554 1.00 0.00 H new ATOM 0 HA TYR A 62 7.252 -2.956 -1.342 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.098 -5.326 -1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.423 -5.394 -1.258 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.739 -3.998 -2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.571 -5.352 -4.049 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.001 -3.823 -5.184 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.821 -5.169 -6.462 1.00 0.00 H new ATOM 0 HH TYR A 62 3.681 -4.943 -7.347 1.00 0.00 H new ATOM 919 N TYR A 63 4.042 -2.649 -0.884 1.00 0.00 N ATOM 920 CA TYR A 63 2.884 -1.830 -1.202 1.00 0.00 C ATOM 921 C TYR A 63 3.094 -0.384 -0.748 1.00 0.00 C ATOM 922 O TYR A 63 2.729 0.552 -1.457 1.00 0.00 O ATOM 923 CB TYR A 63 1.714 -2.433 -0.422 1.00 0.00 C ATOM 924 CG TYR A 63 0.582 -1.444 -0.136 1.00 0.00 C ATOM 925 CD1 TYR A 63 -0.345 -1.154 -1.116 1.00 0.00 C ATOM 926 CD2 TYR A 63 0.488 -0.843 1.103 1.00 0.00 C ATOM 927 CE1 TYR A 63 -1.410 -0.224 -0.847 1.00 0.00 C ATOM 928 CE2 TYR A 63 -0.578 0.087 1.372 1.00 0.00 C ATOM 929 CZ TYR A 63 -1.474 0.351 0.384 1.00 0.00 C ATOM 930 OH TYR A 63 -2.481 1.230 0.639 1.00 0.00 O ATOM 0 H TYR A 63 3.899 -3.314 -0.124 1.00 0.00 H new ATOM 0 HA TYR A 63 2.707 -1.817 -2.277 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.313 -3.277 -0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.086 -2.827 0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.271 -1.625 -2.085 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.213 -1.070 1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.142 0.012 -1.605 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.664 0.564 2.337 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.402 1.561 1.558 1.00 0.00 H new ATOM 940 N ARG A 64 3.681 -0.248 0.433 1.00 0.00 N ATOM 941 CA ARG A 64 3.943 1.068 0.990 1.00 0.00 C ATOM 942 C ARG A 64 4.998 1.797 0.156 1.00 0.00 C ATOM 943 O ARG A 64 4.900 3.004 -0.059 1.00 0.00 O ATOM 944 CB ARG A 64 4.428 0.966 2.438 1.00 0.00 C ATOM 945 CG ARG A 64 3.249 0.840 3.404 1.00 0.00 C ATOM 946 CD ARG A 64 3.154 2.064 4.316 1.00 0.00 C ATOM 947 NE ARG A 64 4.417 2.234 5.069 1.00 0.00 N ATOM 948 CZ ARG A 64 4.612 3.169 6.009 1.00 0.00 C ATOM 949 NH1 ARG A 64 3.628 4.025 6.317 1.00 0.00 N ATOM 950 NH2 ARG A 64 5.791 3.248 6.640 1.00 0.00 N ATOM 0 H ARG A 64 3.982 -1.027 1.019 1.00 0.00 H new ATOM 0 HA ARG A 64 3.009 1.629 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.084 0.102 2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.017 1.848 2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.323 0.729 2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.364 -0.060 4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.952 2.955 3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.321 1.948 5.009 1.00 0.00 H new ATOM 0 HE ARG A 64 5.188 1.599 4.859 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.731 3.965 5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.776 4.737 7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.540 2.597 6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.940 3.960 7.356 1.00 0.00 H new ATOM 964 N GLN A 65 5.984 1.033 -0.291 1.00 0.00 N ATOM 965 CA GLN A 65 7.057 1.592 -1.097 1.00 0.00 C ATOM 966 C GLN A 65 6.485 2.281 -2.338 1.00 0.00 C ATOM 967 O GLN A 65 6.810 3.434 -2.617 1.00 0.00 O ATOM 968 CB GLN A 65 8.069 0.513 -1.487 1.00 0.00 C ATOM 969 CG GLN A 65 9.437 1.127 -1.787 1.00 0.00 C ATOM 970 CD GLN A 65 10.534 0.060 -1.767 1.00 0.00 C ATOM 971 OE1 GLN A 65 10.276 -1.132 -1.765 1.00 0.00 O ATOM 972 NE2 GLN A 65 11.769 0.554 -1.752 1.00 0.00 N ATOM 0 H GLN A 65 6.063 0.032 -0.111 1.00 0.00 H new ATOM 0 HA GLN A 65 7.582 2.338 -0.501 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.162 -0.213 -0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.710 -0.028 -2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.415 1.613 -2.762 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.662 1.899 -1.051 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.915 1.564 -1.755 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.570 -0.077 -1.738 1.00 0.00 H new ATOM 981 N LYS A 66 5.644 1.545 -3.049 1.00 0.00 N ATOM 982 CA LYS A 66 5.023 2.071 -4.253 1.00 0.00 C ATOM 983 C LYS A 66 4.173 3.291 -3.893 1.00 0.00 C ATOM 984 O LYS A 66 4.118 4.259 -4.650 1.00 0.00 O ATOM 985 CB LYS A 66 4.245 0.972 -4.979 1.00 0.00 C ATOM 986 CG LYS A 66 5.193 -0.090 -5.543 1.00 0.00 C ATOM 987 CD LYS A 66 5.902 0.420 -6.799 1.00 0.00 C ATOM 988 CE LYS A 66 7.027 -0.530 -7.216 1.00 0.00 C ATOM 989 NZ LYS A 66 8.136 -0.481 -6.237 1.00 0.00 N ATOM 0 H LYS A 66 5.378 0.589 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 66 5.784 2.409 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.539 0.506 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.660 1.409 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.932 -0.361 -4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.632 -0.994 -5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.183 0.518 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.310 1.413 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.643 -1.548 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.395 -0.256 -8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.001 -0.860 -6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.298 0.504 -5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.889 -1.053 -5.404 1.00 0.00 H new ATOM 1003 N LEU A 67 3.531 3.204 -2.737 1.00 0.00 N ATOM 1004 CA LEU A 67 2.686 4.289 -2.267 1.00 0.00 C ATOM 1005 C LEU A 67 3.516 5.570 -2.168 1.00 0.00 C ATOM 1006 O LEU A 67 3.105 6.620 -2.660 1.00 0.00 O ATOM 1007 CB LEU A 67 1.995 3.901 -0.958 1.00 0.00 C ATOM 1008 CG LEU A 67 0.626 4.536 -0.709 1.00 0.00 C ATOM 1009 CD1 LEU A 67 -0.254 4.450 -1.958 1.00 0.00 C ATOM 1010 CD2 LEU A 67 -0.053 3.914 0.513 1.00 0.00 C ATOM 0 H LEU A 67 3.579 2.399 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 67 1.884 4.483 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.880 2.817 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.653 4.167 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 67 0.775 5.594 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.221 4.909 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.230 4.976 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.398 3.404 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.024 4.383 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.189 2.845 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.570 4.070 1.394 1.00 0.00 H new ATOM 1022 N ASP A 68 4.670 5.442 -1.530 1.00 0.00 N ATOM 1023 CA ASP A 68 5.561 6.577 -1.360 1.00 0.00 C ATOM 1024 C ASP A 68 6.204 6.920 -2.705 1.00 0.00 C ATOM 1025 O ASP A 68 6.315 8.092 -3.064 1.00 0.00 O ATOM 1026 CB ASP A 68 6.682 6.254 -0.369 1.00 0.00 C ATOM 1027 CG ASP A 68 7.319 7.471 0.305 1.00 0.00 C ATOM 1028 OD1 ASP A 68 6.699 7.977 1.265 1.00 0.00 O ATOM 1029 OD2 ASP A 68 8.412 7.867 -0.155 1.00 0.00 O ATOM 0 H ASP A 68 5.009 4.569 -1.124 1.00 0.00 H new ATOM 0 HA ASP A 68 4.974 7.413 -0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.285 5.596 0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.460 5.698 -0.892 1.00 0.00 H new ATOM 1034 N GLU A 69 6.612 5.878 -3.414 1.00 0.00 N ATOM 1035 CA GLU A 69 7.241 6.054 -4.711 1.00 0.00 C ATOM 1036 C GLU A 69 6.395 6.978 -5.590 1.00 0.00 C ATOM 1037 O GLU A 69 6.882 8.000 -6.071 1.00 0.00 O ATOM 1038 CB GLU A 69 7.471 4.706 -5.397 1.00 0.00 C ATOM 1039 CG GLU A 69 8.951 4.506 -5.731 1.00 0.00 C ATOM 1040 CD GLU A 69 9.701 3.884 -4.552 1.00 0.00 C ATOM 1041 OE1 GLU A 69 9.376 4.267 -3.407 1.00 0.00 O ATOM 1042 OE2 GLU A 69 10.581 3.038 -4.821 1.00 0.00 O ATOM 0 H GLU A 69 6.519 4.908 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 69 8.215 6.519 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.129 3.900 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.878 4.653 -6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.046 3.864 -6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.402 5.464 -5.988 1.00 0.00 H new ATOM 1049 N PHE A 70 5.143 6.586 -5.773 1.00 0.00 N ATOM 1050 CA PHE A 70 4.225 7.367 -6.585 1.00 0.00 C ATOM 1051 C PHE A 70 3.933 8.720 -5.934 1.00 0.00 C ATOM 1052 O PHE A 70 3.929 9.749 -6.609 1.00 0.00 O ATOM 1053 CB PHE A 70 2.923 6.569 -6.680 1.00 0.00 C ATOM 1054 CG PHE A 70 3.111 5.125 -7.151 1.00 0.00 C ATOM 1055 CD1 PHE A 70 4.188 4.793 -7.913 1.00 0.00 C ATOM 1056 CD2 PHE A 70 2.201 4.174 -6.809 1.00 0.00 C ATOM 1057 CE1 PHE A 70 4.362 3.454 -8.350 1.00 0.00 C ATOM 1058 CE2 PHE A 70 2.375 2.835 -7.246 1.00 0.00 C ATOM 1059 CZ PHE A 70 3.452 2.503 -8.008 1.00 0.00 C ATOM 0 H PHE A 70 4.742 5.738 -5.373 1.00 0.00 H new ATOM 0 HA PHE A 70 4.661 7.553 -7.566 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.441 6.562 -5.702 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.246 7.079 -7.365 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.910 5.548 -8.185 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.346 4.438 -6.205 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.217 3.190 -8.954 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.653 2.080 -6.974 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.584 1.484 -8.341 1.00 0.00 H new ATOM 1069 N ARG A 71 3.696 8.676 -4.632 1.00 0.00 N ATOM 1070 CA ARG A 71 3.404 9.887 -3.883 1.00 0.00 C ATOM 1071 C ARG A 71 4.678 10.711 -3.688 1.00 0.00 C ATOM 1072 O ARG A 71 5.175 10.838 -2.570 1.00 0.00 O ATOM 1073 CB ARG A 71 2.805 9.557 -2.514 1.00 0.00 C ATOM 1074 CG ARG A 71 1.328 9.177 -2.640 1.00 0.00 C ATOM 1075 CD ARG A 71 0.943 8.122 -1.600 1.00 0.00 C ATOM 1076 NE ARG A 71 -0.457 8.327 -1.166 1.00 0.00 N ATOM 1077 CZ ARG A 71 -0.867 9.357 -0.413 1.00 0.00 C ATOM 1078 NH1 ARG A 71 0.013 10.282 -0.007 1.00 0.00 N ATOM 1079 NH2 ARG A 71 -2.157 9.462 -0.067 1.00 0.00 N ATOM 0 H ARG A 71 3.700 7.821 -4.076 1.00 0.00 H new ATOM 0 HA ARG A 71 2.678 10.464 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.358 8.735 -2.059 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.908 10.416 -1.851 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.708 10.064 -2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.131 8.794 -3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.059 7.124 -2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.612 8.185 -0.741 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.153 7.641 -1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.995 10.202 -0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.299 11.066 0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.827 8.758 -0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.469 10.246 0.506 1.00 0.00 H new ATOM 1093 N LYS A 72 5.171 11.250 -4.794 1.00 0.00 N ATOM 1094 CA LYS A 72 6.377 12.059 -4.759 1.00 0.00 C ATOM 1095 C LYS A 72 6.330 12.986 -3.543 1.00 0.00 C ATOM 1096 O LYS A 72 7.045 12.771 -2.566 1.00 0.00 O ATOM 1097 CB LYS A 72 6.567 12.795 -6.087 1.00 0.00 C ATOM 1098 CG LYS A 72 7.262 11.901 -7.116 1.00 0.00 C ATOM 1099 CD LYS A 72 6.393 11.719 -8.361 1.00 0.00 C ATOM 1100 CE LYS A 72 6.722 12.775 -9.418 1.00 0.00 C ATOM 1101 NZ LYS A 72 6.066 12.445 -10.703 1.00 0.00 N ATOM 0 H LYS A 72 4.757 11.142 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 72 7.257 11.426 -4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.598 13.113 -6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.158 13.697 -5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.219 12.341 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.476 10.929 -6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.549 10.723 -8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.340 11.789 -8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.392 13.756 -9.076 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.801 12.833 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.300 13.172 -11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.401 11.518 -11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.035 12.412 -10.568 1.00 0.00 H new ATOM 1115 N SER A 73 5.481 13.998 -3.644 1.00 0.00 N ATOM 1116 CA SER A 73 5.331 14.959 -2.564 1.00 0.00 C ATOM 1117 C SER A 73 5.354 14.238 -1.215 1.00 0.00 C ATOM 1118 O SER A 73 4.608 13.282 -1.005 1.00 0.00 O ATOM 1119 CB SER A 73 4.036 15.760 -2.716 1.00 0.00 C ATOM 1120 OG SER A 73 4.237 16.964 -3.451 1.00 0.00 O ATOM 0 H SER A 73 4.890 14.174 -4.457 1.00 0.00 H new ATOM 0 HA SER A 73 6.166 15.658 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.288 15.148 -3.220 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.640 15.999 -1.729 1.00 0.00 H new ATOM 0 HG SER A 73 3.387 17.446 -3.528 1.00 0.00 H new ATOM 1126 N GLY A 74 6.217 14.724 -0.335 1.00 0.00 N ATOM 1127 CA GLY A 74 6.347 14.138 0.988 1.00 0.00 C ATOM 1128 C GLY A 74 7.797 14.190 1.471 1.00 0.00 C ATOM 1129 O GLY A 74 8.609 14.940 0.931 1.00 0.00 O ATOM 0 H GLY A 74 6.833 15.517 -0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.707 14.672 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.004 13.104 0.967 1.00 0.00 H new ATOM 1133 N PRO A 75 8.087 13.363 2.511 1.00 0.00 N ATOM 1134 CA PRO A 75 9.426 13.308 3.073 1.00 0.00 C ATOM 1135 C PRO A 75 10.376 12.540 2.152 1.00 0.00 C ATOM 1136 O PRO A 75 11.412 13.064 1.747 1.00 0.00 O ATOM 1137 CB PRO A 75 9.255 12.650 4.433 1.00 0.00 C ATOM 1138 CG PRO A 75 7.910 11.943 4.387 1.00 0.00 C ATOM 1139 CD PRO A 75 7.151 12.461 3.177 1.00 0.00 C ATOM 0 HA PRO A 75 9.880 14.294 3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.061 11.943 4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.280 13.391 5.232 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.048 10.864 4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.347 12.134 5.301 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.851 11.646 2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.241 12.983 3.474 1.00 0.00 H new ATOM 1147 N SER A 76 9.989 11.310 1.849 1.00 0.00 N ATOM 1148 CA SER A 76 10.794 10.464 0.984 1.00 0.00 C ATOM 1149 C SER A 76 12.178 10.251 1.600 1.00 0.00 C ATOM 1150 O SER A 76 13.138 10.921 1.225 1.00 0.00 O ATOM 1151 CB SER A 76 10.924 11.072 -0.415 1.00 0.00 C ATOM 1152 OG SER A 76 10.166 10.351 -1.383 1.00 0.00 O ATOM 0 H SER A 76 9.129 10.879 2.187 1.00 0.00 H new ATOM 0 HA SER A 76 10.294 9.500 0.888 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.590 12.109 -0.392 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.973 11.082 -0.710 1.00 0.00 H new ATOM 0 HG SER A 76 10.274 10.771 -2.262 1.00 0.00 H new ATOM 1158 N SER A 77 12.236 9.314 2.535 1.00 0.00 N ATOM 1159 CA SER A 77 13.486 9.003 3.207 1.00 0.00 C ATOM 1160 C SER A 77 14.512 8.493 2.194 1.00 0.00 C ATOM 1161 O SER A 77 14.172 7.731 1.290 1.00 0.00 O ATOM 1162 CB SER A 77 13.274 7.969 4.314 1.00 0.00 C ATOM 1163 OG SER A 77 14.269 8.063 5.330 1.00 0.00 O ATOM 0 H SER A 77 11.437 8.760 2.843 1.00 0.00 H new ATOM 0 HA SER A 77 13.863 9.916 3.668 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.288 8.110 4.758 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.289 6.968 3.883 1.00 0.00 H new ATOM 0 HG SER A 77 14.098 7.388 6.019 1.00 0.00 H new ATOM 1169 N GLY A 78 15.748 8.935 2.377 1.00 0.00 N ATOM 1170 CA GLY A 78 16.826 8.532 1.490 1.00 0.00 C ATOM 1171 C GLY A 78 17.259 9.693 0.592 1.00 0.00 C ATOM 1172 O GLY A 78 17.690 9.479 -0.540 1.00 0.00 O ATOM 0 H GLY A 78 16.027 9.568 3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.676 8.186 2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.501 7.693 0.875 1.00 0.00 H new TER 1176 GLY A 78