USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 604 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 88 SER OG : rot 150:sc= 0 USER MOD Set 2.1: A 51 GLN : amide:sc= -0.0709 X(o=-0.74,f=-0.68) USER MOD Set 2.2: A 54 SER OG : rot 170:sc= -0.666 USER MOD Set 3.1: A 47 MET CE :methyl -177:sc= -0.769 (180deg=-0.77) USER MOD Set 3.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0746 (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 14 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 17 MET CE :methyl 180:sc= -0.109 (180deg=-0.109) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -2.13 F(o=-3.6!,f=-2.1) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -131:sc= -0.736 (180deg=-3.97!) USER MOD Single : A 63 HIS : no HE2:sc= -0.5 K(o=-0.5,f=-3.8!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00209 USER MOD Single : A 69 SER OG : rot 180:sc= -0.783 USER MOD Single : A 72 TYR OH : rot -140:sc= -1.25 USER MOD Single : A 75 ASN : amide:sc= -0.583 K(o=-0.58,f=-8!) USER MOD Single : A 77 ASN : amide:sc=-0.00908 K(o=-0.0091,f=-1.2) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.571 -14.728 21.366 1.00 0.00 N ATOM 2 CA GLY A 1 -14.224 -13.484 21.002 1.00 0.00 C ATOM 3 C GLY A 1 -15.704 -13.489 21.328 1.00 0.00 C ATOM 4 O GLY A 1 -16.276 -14.537 21.631 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.831 -14.538 22.071 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.272 -15.383 21.767 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.142 -15.155 20.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.743 -12.658 21.525 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.091 -13.306 19.935 1.00 0.00 H new ATOM 8 N SER A 2 -16.326 -12.317 21.267 1.00 0.00 N ATOM 9 CA SER A 2 -17.748 -12.190 21.564 1.00 0.00 C ATOM 10 C SER A 2 -18.300 -10.872 21.027 1.00 0.00 C ATOM 11 O SER A 2 -17.544 -9.982 20.639 1.00 0.00 O ATOM 12 CB SER A 2 -17.986 -12.277 23.073 1.00 0.00 C ATOM 13 OG SER A 2 -17.242 -11.290 23.765 1.00 0.00 O ATOM 0 H SER A 2 -15.868 -11.441 21.015 1.00 0.00 H new ATOM 0 HA SER A 2 -18.270 -13.011 21.073 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.048 -12.151 23.285 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.705 -13.267 23.432 1.00 0.00 H new ATOM 0 HG SER A 2 -17.413 -11.366 24.727 1.00 0.00 H new ATOM 19 N SER A 3 -19.624 -10.757 21.005 1.00 0.00 N ATOM 20 CA SER A 3 -20.279 -9.551 20.512 1.00 0.00 C ATOM 21 C SER A 3 -21.561 -9.271 21.291 1.00 0.00 C ATOM 22 O SER A 3 -22.098 -10.153 21.959 1.00 0.00 O ATOM 23 CB SER A 3 -20.594 -9.690 19.022 1.00 0.00 C ATOM 24 OG SER A 3 -19.408 -9.839 18.261 1.00 0.00 O ATOM 0 H SER A 3 -20.264 -11.485 21.323 1.00 0.00 H new ATOM 0 HA SER A 3 -19.598 -8.713 20.656 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.242 -10.552 18.863 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.141 -8.812 18.680 1.00 0.00 H new ATOM 0 HG SER A 3 -19.637 -9.928 17.312 1.00 0.00 H new ATOM 30 N GLY A 4 -22.044 -8.036 21.199 1.00 0.00 N ATOM 31 CA GLY A 4 -23.258 -7.661 21.899 1.00 0.00 C ATOM 32 C GLY A 4 -23.795 -6.317 21.448 1.00 0.00 C ATOM 33 O GLY A 4 -24.894 -6.233 20.899 1.00 0.00 O ATOM 0 H GLY A 4 -21.616 -7.289 20.652 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.018 -8.425 21.737 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.061 -7.629 22.971 1.00 0.00 H new ATOM 37 N SER A 5 -23.021 -5.262 21.682 1.00 0.00 N ATOM 38 CA SER A 5 -23.427 -3.915 21.301 1.00 0.00 C ATOM 39 C SER A 5 -23.930 -3.887 19.861 1.00 0.00 C ATOM 40 O SER A 5 -24.984 -3.321 19.570 1.00 0.00 O ATOM 41 CB SER A 5 -22.259 -2.941 21.464 1.00 0.00 C ATOM 42 OG SER A 5 -22.620 -1.637 21.046 1.00 0.00 O ATOM 0 H SER A 5 -22.108 -5.315 22.134 1.00 0.00 H new ATOM 0 HA SER A 5 -24.240 -3.608 21.958 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.944 -2.918 22.507 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.406 -3.290 20.881 1.00 0.00 H new ATOM 0 HG SER A 5 -21.857 -1.033 21.162 1.00 0.00 H new ATOM 48 N SER A 6 -23.167 -4.501 18.962 1.00 0.00 N ATOM 49 CA SER A 6 -23.532 -4.544 17.551 1.00 0.00 C ATOM 50 C SER A 6 -23.583 -5.983 17.046 1.00 0.00 C ATOM 51 O SER A 6 -23.054 -6.894 17.680 1.00 0.00 O ATOM 52 CB SER A 6 -22.534 -3.734 16.719 1.00 0.00 C ATOM 53 OG SER A 6 -22.387 -2.423 17.235 1.00 0.00 O ATOM 0 H SER A 6 -22.292 -4.975 19.186 1.00 0.00 H new ATOM 0 HA SER A 6 -24.524 -4.105 17.444 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.567 -4.237 16.714 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.873 -3.685 15.684 1.00 0.00 H new ATOM 0 HG SER A 6 -21.743 -1.926 16.688 1.00 0.00 H new ATOM 59 N GLY A 7 -24.225 -6.178 15.898 1.00 0.00 N ATOM 60 CA GLY A 7 -24.333 -7.507 15.325 1.00 0.00 C ATOM 61 C GLY A 7 -23.674 -7.608 13.964 1.00 0.00 C ATOM 62 O GLY A 7 -24.339 -7.611 12.928 1.00 0.00 O ATOM 0 H GLY A 7 -24.672 -5.439 15.355 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.875 -8.229 16.001 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.385 -7.776 15.236 1.00 0.00 H new ATOM 66 N PRO A 8 -22.336 -7.693 13.955 1.00 0.00 N ATOM 67 CA PRO A 8 -21.558 -7.795 12.717 1.00 0.00 C ATOM 68 C PRO A 8 -21.746 -9.140 12.023 1.00 0.00 C ATOM 69 O PRO A 8 -21.073 -9.440 11.036 1.00 0.00 O ATOM 70 CB PRO A 8 -20.111 -7.636 13.191 1.00 0.00 C ATOM 71 CG PRO A 8 -20.130 -8.083 14.613 1.00 0.00 C ATOM 72 CD PRO A 8 -21.479 -7.697 15.152 1.00 0.00 C ATOM 0 HA PRO A 8 -21.864 -7.050 11.982 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.429 -8.242 12.594 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -19.777 -6.602 13.105 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -19.975 -9.159 14.685 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -19.332 -7.607 15.182 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -21.833 -8.409 15.897 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -21.455 -6.719 15.632 1.00 0.00 H new ATOM 80 N ARG A 9 -22.665 -9.946 12.545 1.00 0.00 N ATOM 81 CA ARG A 9 -22.940 -11.261 11.975 1.00 0.00 C ATOM 82 C ARG A 9 -23.223 -11.156 10.480 1.00 0.00 C ATOM 83 O ARG A 9 -24.357 -10.916 10.068 1.00 0.00 O ATOM 84 CB ARG A 9 -24.130 -11.908 12.686 1.00 0.00 C ATOM 85 CG ARG A 9 -24.259 -13.399 12.420 1.00 0.00 C ATOM 86 CD ARG A 9 -24.998 -14.103 13.548 1.00 0.00 C ATOM 87 NE ARG A 9 -26.434 -13.839 13.509 1.00 0.00 N ATOM 88 CZ ARG A 9 -27.290 -14.534 12.768 1.00 0.00 C ATOM 89 NH1 ARG A 9 -26.856 -15.530 12.007 1.00 0.00 N ATOM 90 NH2 ARG A 9 -28.582 -14.233 12.786 1.00 0.00 N ATOM 0 H ARG A 9 -23.231 -9.713 13.361 1.00 0.00 H new ATOM 0 HA ARG A 9 -22.057 -11.884 12.117 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -24.033 -11.746 13.760 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -25.047 -11.410 12.369 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -24.789 -13.558 11.481 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -23.267 -13.836 12.304 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -24.825 -15.177 13.480 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -24.595 -13.775 14.506 1.00 0.00 H new ATOM 0 HE ARG A 9 -26.800 -13.079 14.082 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -25.863 -15.764 11.990 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -27.515 -16.062 11.439 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -28.919 -13.467 13.369 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -29.238 -14.767 12.217 1.00 0.00 H new ATOM 104 N GLU A 10 -22.182 -11.338 9.671 1.00 0.00 N ATOM 105 CA GLU A 10 -22.319 -11.263 8.222 1.00 0.00 C ATOM 106 C GLU A 10 -21.022 -11.670 7.530 1.00 0.00 C ATOM 107 O GLU A 10 -19.924 -11.309 7.955 1.00 0.00 O ATOM 108 CB GLU A 10 -22.714 -9.846 7.797 1.00 0.00 C ATOM 109 CG GLU A 10 -21.582 -8.840 7.912 1.00 0.00 C ATOM 110 CD GLU A 10 -21.991 -7.448 7.470 1.00 0.00 C ATOM 111 OE1 GLU A 10 -22.088 -7.218 6.246 1.00 0.00 O ATOM 112 OE2 GLU A 10 -22.216 -6.589 8.348 1.00 0.00 O ATOM 0 H GLU A 10 -21.236 -11.538 9.996 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.104 -11.957 7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -23.065 -9.869 6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.550 -9.511 8.411 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.238 -8.802 8.946 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.739 -9.176 7.308 1.00 0.00 H new ATOM 119 N PRO A 11 -21.148 -12.440 6.440 1.00 0.00 N ATOM 120 CA PRO A 11 -19.998 -12.914 5.667 1.00 0.00 C ATOM 121 C PRO A 11 -19.304 -11.786 4.909 1.00 0.00 C ATOM 122 O PRO A 11 -19.956 -10.871 4.405 1.00 0.00 O ATOM 123 CB PRO A 11 -20.615 -13.914 4.687 1.00 0.00 C ATOM 124 CG PRO A 11 -22.033 -13.479 4.544 1.00 0.00 C ATOM 125 CD PRO A 11 -22.427 -12.907 5.878 1.00 0.00 C ATOM 0 HA PRO A 11 -19.227 -13.344 6.307 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -20.098 -13.899 3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -20.550 -14.933 5.068 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -22.135 -12.734 3.755 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -22.674 -14.319 4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -23.141 -12.090 5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -22.896 -13.658 6.515 1.00 0.00 H new ATOM 133 N VAL A 12 -17.979 -11.858 4.832 1.00 0.00 N ATOM 134 CA VAL A 12 -17.197 -10.843 4.135 1.00 0.00 C ATOM 135 C VAL A 12 -15.722 -11.222 4.090 1.00 0.00 C ATOM 136 O VAL A 12 -15.174 -11.747 5.059 1.00 0.00 O ATOM 137 CB VAL A 12 -17.343 -9.463 4.804 1.00 0.00 C ATOM 138 CG1 VAL A 12 -16.822 -9.506 6.232 1.00 0.00 C ATOM 139 CG2 VAL A 12 -16.618 -8.400 3.995 1.00 0.00 C ATOM 0 H VAL A 12 -17.424 -12.609 5.244 1.00 0.00 H new ATOM 0 HA VAL A 12 -17.586 -10.787 3.118 1.00 0.00 H new ATOM 0 HB VAL A 12 -18.401 -9.203 4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.933 -8.523 6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -17.390 -10.239 6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.769 -9.787 6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.732 -7.432 4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.559 -8.651 3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.042 -8.354 2.992 1.00 0.00 H new ATOM 149 N VAL A 13 -15.080 -10.950 2.958 1.00 0.00 N ATOM 150 CA VAL A 13 -13.666 -11.259 2.787 1.00 0.00 C ATOM 151 C VAL A 13 -12.834 -9.986 2.678 1.00 0.00 C ATOM 152 O VAL A 13 -13.115 -9.117 1.855 1.00 0.00 O ATOM 153 CB VAL A 13 -13.428 -12.123 1.534 1.00 0.00 C ATOM 154 CG1 VAL A 13 -14.050 -13.500 1.708 1.00 0.00 C ATOM 155 CG2 VAL A 13 -13.985 -11.432 0.298 1.00 0.00 C ATOM 0 H VAL A 13 -15.518 -10.516 2.145 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.355 -11.818 3.670 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.354 -12.250 1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.871 -14.096 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.602 -13.996 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.123 -13.397 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.808 -12.056 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.056 -11.274 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.490 -10.470 0.164 1.00 0.00 H new ATOM 165 N ASN A 14 -11.808 -9.884 3.515 1.00 0.00 N ATOM 166 CA ASN A 14 -10.933 -8.717 3.514 1.00 0.00 C ATOM 167 C ASN A 14 -9.485 -9.121 3.256 1.00 0.00 C ATOM 168 O ASN A 14 -8.726 -9.381 4.190 1.00 0.00 O ATOM 169 CB ASN A 14 -11.036 -7.975 4.848 1.00 0.00 C ATOM 170 CG ASN A 14 -12.436 -7.459 5.117 1.00 0.00 C ATOM 171 OD1 ASN A 14 -13.024 -6.766 4.286 1.00 0.00 O ATOM 172 ND2 ASN A 14 -12.978 -7.797 6.281 1.00 0.00 N ATOM 0 H ASN A 14 -11.561 -10.595 4.203 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.255 -8.055 2.711 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -10.737 -8.643 5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -10.337 -7.139 4.850 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.919 -7.481 6.517 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.454 -8.373 6.940 1.00 0.00 H new ATOM 179 N ASP A 15 -9.110 -9.174 1.983 1.00 0.00 N ATOM 180 CA ASP A 15 -7.752 -9.547 1.600 1.00 0.00 C ATOM 181 C ASP A 15 -6.779 -8.404 1.873 1.00 0.00 C ATOM 182 O ASP A 15 -5.750 -8.596 2.520 1.00 0.00 O ATOM 183 CB ASP A 15 -7.704 -9.932 0.121 1.00 0.00 C ATOM 184 CG ASP A 15 -8.087 -11.380 -0.113 1.00 0.00 C ATOM 185 OD1 ASP A 15 -7.885 -12.203 0.803 1.00 0.00 O ATOM 186 OD2 ASP A 15 -8.591 -11.689 -1.213 1.00 0.00 O ATOM 0 H ASP A 15 -9.727 -8.964 1.198 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.454 -10.406 2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.377 -9.286 -0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.699 -9.758 -0.264 1.00 0.00 H new ATOM 191 N GLU A 16 -7.111 -7.218 1.373 1.00 0.00 N ATOM 192 CA GLU A 16 -6.264 -6.046 1.563 1.00 0.00 C ATOM 193 C GLU A 16 -6.983 -4.983 2.389 1.00 0.00 C ATOM 194 O GLU A 16 -7.779 -4.206 1.862 1.00 0.00 O ATOM 195 CB GLU A 16 -5.853 -5.463 0.209 1.00 0.00 C ATOM 196 CG GLU A 16 -4.818 -6.301 -0.525 1.00 0.00 C ATOM 197 CD GLU A 16 -5.446 -7.365 -1.402 1.00 0.00 C ATOM 198 OE1 GLU A 16 -6.598 -7.760 -1.123 1.00 0.00 O ATOM 199 OE2 GLU A 16 -4.788 -7.804 -2.368 1.00 0.00 O ATOM 0 H GLU A 16 -7.959 -7.043 0.834 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.370 -6.358 2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.739 -5.363 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.455 -4.460 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.197 -5.649 -1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.159 -6.776 0.202 1.00 0.00 H new ATOM 206 N MET A 17 -6.696 -4.957 3.686 1.00 0.00 N ATOM 207 CA MET A 17 -7.315 -3.990 4.586 1.00 0.00 C ATOM 208 C MET A 17 -6.325 -3.529 5.652 1.00 0.00 C ATOM 209 O MET A 17 -5.756 -4.344 6.378 1.00 0.00 O ATOM 210 CB MET A 17 -8.551 -4.596 5.250 1.00 0.00 C ATOM 211 CG MET A 17 -9.728 -4.766 4.303 1.00 0.00 C ATOM 212 SD MET A 17 -10.169 -3.233 3.461 1.00 0.00 S ATOM 213 CE MET A 17 -11.957 -3.325 3.503 1.00 0.00 C ATOM 0 H MET A 17 -6.039 -5.594 4.138 1.00 0.00 H new ATOM 0 HA MET A 17 -7.617 -3.125 3.996 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.289 -5.568 5.669 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.854 -3.961 6.083 1.00 0.00 H new ATOM 0 HG2 MET A 17 -9.485 -5.527 3.561 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.590 -5.130 4.862 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.378 -2.444 3.018 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.288 -4.221 2.978 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.295 -3.366 4.538 1.00 0.00 H new ATOM 223 N CYS A 18 -6.124 -2.219 5.739 1.00 0.00 N ATOM 224 CA CYS A 18 -5.203 -1.650 6.716 1.00 0.00 C ATOM 225 C CYS A 18 -5.481 -2.201 8.111 1.00 0.00 C ATOM 226 O CYS A 18 -6.634 -2.399 8.494 1.00 0.00 O ATOM 227 CB CYS A 18 -5.317 -0.123 6.726 1.00 0.00 C ATOM 228 SG CYS A 18 -4.026 0.712 7.704 1.00 0.00 S ATOM 0 H CYS A 18 -6.586 -1.531 5.145 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.189 -1.930 6.430 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.273 0.241 5.699 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.294 0.155 7.121 1.00 0.00 H new ATOM 233 N ASP A 19 -4.416 -2.446 8.867 1.00 0.00 N ATOM 234 CA ASP A 19 -4.543 -2.973 10.221 1.00 0.00 C ATOM 235 C ASP A 19 -4.958 -1.874 11.195 1.00 0.00 C ATOM 236 O ASP A 19 -5.235 -2.139 12.364 1.00 0.00 O ATOM 237 CB ASP A 19 -3.225 -3.602 10.672 1.00 0.00 C ATOM 238 CG ASP A 19 -3.414 -4.593 11.804 1.00 0.00 C ATOM 239 OD1 ASP A 19 -4.421 -5.332 11.783 1.00 0.00 O ATOM 240 OD2 ASP A 19 -2.556 -4.631 12.710 1.00 0.00 O ATOM 0 H ASP A 19 -3.455 -2.288 8.565 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.318 -3.739 10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.758 -4.106 9.826 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.541 -2.816 10.992 1.00 0.00 H new ATOM 245 N VAL A 20 -4.996 -0.639 10.705 1.00 0.00 N ATOM 246 CA VAL A 20 -5.376 0.500 11.531 1.00 0.00 C ATOM 247 C VAL A 20 -6.663 1.142 11.025 1.00 0.00 C ATOM 248 O VAL A 20 -7.424 1.726 11.797 1.00 0.00 O ATOM 249 CB VAL A 20 -4.264 1.564 11.566 1.00 0.00 C ATOM 250 CG1 VAL A 20 -4.642 2.702 12.502 1.00 0.00 C ATOM 251 CG2 VAL A 20 -2.941 0.938 11.982 1.00 0.00 C ATOM 0 H VAL A 20 -4.768 -0.402 9.739 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.536 0.119 12.540 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.147 1.975 10.563 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.844 3.444 12.513 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.565 3.167 12.155 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.789 2.311 13.509 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.166 1.704 12.001 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.042 0.499 12.975 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.666 0.162 11.268 1.00 0.00 H new ATOM 261 N CYS A 21 -6.901 1.029 9.723 1.00 0.00 N ATOM 262 CA CYS A 21 -8.096 1.598 9.111 1.00 0.00 C ATOM 263 C CYS A 21 -9.017 0.498 8.591 1.00 0.00 C ATOM 264 O CYS A 21 -10.230 0.683 8.502 1.00 0.00 O ATOM 265 CB CYS A 21 -7.710 2.539 7.967 1.00 0.00 C ATOM 266 SG CYS A 21 -6.478 3.800 8.426 1.00 0.00 S ATOM 0 H CYS A 21 -6.282 0.548 9.071 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.630 2.164 9.874 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.318 1.947 7.140 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.608 3.039 7.603 1.00 0.00 H new ATOM 271 N GLU A 22 -8.431 -0.645 8.250 1.00 0.00 N ATOM 272 CA GLU A 22 -9.199 -1.774 7.738 1.00 0.00 C ATOM 273 C GLU A 22 -10.066 -1.350 6.555 1.00 0.00 C ATOM 274 O GLU A 22 -11.252 -1.676 6.494 1.00 0.00 O ATOM 275 CB GLU A 22 -10.076 -2.365 8.843 1.00 0.00 C ATOM 276 CG GLU A 22 -9.295 -2.804 10.070 1.00 0.00 C ATOM 277 CD GLU A 22 -8.780 -4.226 9.956 1.00 0.00 C ATOM 278 OE1 GLU A 22 -8.573 -4.690 8.814 1.00 0.00 O ATOM 279 OE2 GLU A 22 -8.585 -4.874 11.005 1.00 0.00 O ATOM 0 H GLU A 22 -7.427 -0.814 8.319 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.497 -2.534 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.819 -1.625 9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.621 -3.221 8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.454 -2.128 10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.932 -2.722 10.950 1.00 0.00 H new ATOM 286 N VAL A 23 -9.466 -0.621 5.620 1.00 0.00 N ATOM 287 CA VAL A 23 -10.182 -0.153 4.439 1.00 0.00 C ATOM 288 C VAL A 23 -9.262 -0.093 3.226 1.00 0.00 C ATOM 289 O VAL A 23 -8.119 0.355 3.322 1.00 0.00 O ATOM 290 CB VAL A 23 -10.798 1.240 4.672 1.00 0.00 C ATOM 291 CG1 VAL A 23 -11.936 1.159 5.678 1.00 0.00 C ATOM 292 CG2 VAL A 23 -9.733 2.222 5.137 1.00 0.00 C ATOM 0 H VAL A 23 -8.486 -0.342 5.657 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.982 -0.869 4.249 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.205 1.601 3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -12.359 2.152 5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.709 0.490 5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.557 0.777 6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.185 3.201 5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.294 1.868 6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.955 2.302 4.378 1.00 0.00 H new ATOM 302 N TRP A 24 -9.767 -0.547 2.084 1.00 0.00 N ATOM 303 CA TRP A 24 -8.990 -0.545 0.851 1.00 0.00 C ATOM 304 C TRP A 24 -9.535 0.484 -0.134 1.00 0.00 C ATOM 305 O TRP A 24 -10.598 1.067 0.084 1.00 0.00 O ATOM 306 CB TRP A 24 -9.002 -1.935 0.214 1.00 0.00 C ATOM 307 CG TRP A 24 -10.132 -2.136 -0.751 1.00 0.00 C ATOM 308 CD1 TRP A 24 -11.422 -2.465 -0.446 1.00 0.00 C ATOM 309 CD2 TRP A 24 -10.071 -2.024 -2.178 1.00 0.00 C ATOM 310 NE1 TRP A 24 -12.166 -2.563 -1.597 1.00 0.00 N ATOM 311 CE2 TRP A 24 -11.361 -2.297 -2.672 1.00 0.00 C ATOM 312 CE3 TRP A 24 -9.053 -1.720 -3.085 1.00 0.00 C ATOM 313 CZ2 TRP A 24 -11.657 -2.275 -4.032 1.00 0.00 C ATOM 314 CZ3 TRP A 24 -9.348 -1.697 -4.434 1.00 0.00 C ATOM 315 CH2 TRP A 24 -10.642 -1.972 -4.898 1.00 0.00 C ATOM 0 H TRP A 24 -10.711 -0.921 1.987 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.963 -0.276 1.098 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -8.057 -2.097 -0.305 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.067 -2.687 1.001 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.801 -2.625 0.553 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.158 -2.796 -1.643 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.053 -1.507 -2.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -12.653 -2.490 -4.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.568 -1.463 -5.144 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.841 -1.944 -5.959 1.00 0.00 H new ATOM 326 N THR A 25 -8.800 0.705 -1.220 1.00 0.00 N ATOM 327 CA THR A 25 -9.210 1.664 -2.238 1.00 0.00 C ATOM 328 C THR A 25 -8.834 1.180 -3.633 1.00 0.00 C ATOM 329 O THR A 25 -7.783 0.569 -3.827 1.00 0.00 O ATOM 330 CB THR A 25 -8.571 3.045 -1.997 1.00 0.00 C ATOM 331 OG1 THR A 25 -7.168 2.900 -1.752 1.00 0.00 O ATOM 332 CG2 THR A 25 -9.227 3.747 -0.818 1.00 0.00 C ATOM 0 H THR A 25 -7.918 0.233 -1.417 1.00 0.00 H new ATOM 0 HA THR A 25 -10.294 1.755 -2.168 1.00 0.00 H new ATOM 0 HB THR A 25 -8.722 3.651 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.769 3.782 -1.602 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.759 4.720 -0.667 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.289 3.883 -1.021 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.103 3.142 0.080 1.00 0.00 H new ATOM 340 N ALA A 26 -9.699 1.456 -4.604 1.00 0.00 N ATOM 341 CA ALA A 26 -9.457 1.050 -5.983 1.00 0.00 C ATOM 342 C ALA A 26 -8.022 1.357 -6.400 1.00 0.00 C ATOM 343 O ALA A 26 -7.398 0.580 -7.123 1.00 0.00 O ATOM 344 CB ALA A 26 -10.440 1.740 -6.916 1.00 0.00 C ATOM 0 H ALA A 26 -10.574 1.960 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.605 -0.028 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.248 1.428 -7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.458 1.467 -6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.320 2.820 -6.837 1.00 0.00 H new ATOM 350 N GLU A 27 -7.507 2.493 -5.942 1.00 0.00 N ATOM 351 CA GLU A 27 -6.147 2.902 -6.271 1.00 0.00 C ATOM 352 C GLU A 27 -5.127 1.988 -5.600 1.00 0.00 C ATOM 353 O GLU A 27 -5.482 1.139 -4.782 1.00 0.00 O ATOM 354 CB GLU A 27 -5.909 4.351 -5.843 1.00 0.00 C ATOM 355 CG GLU A 27 -6.799 5.351 -6.561 1.00 0.00 C ATOM 356 CD GLU A 27 -8.252 5.249 -6.135 1.00 0.00 C ATOM 357 OE1 GLU A 27 -8.528 5.404 -4.928 1.00 0.00 O ATOM 358 OE2 GLU A 27 -9.110 5.015 -7.011 1.00 0.00 O ATOM 0 H GLU A 27 -8.011 3.146 -5.342 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.023 2.825 -7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.074 4.436 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.866 4.609 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.437 6.360 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.727 5.189 -7.637 1.00 0.00 H new ATOM 365 N SER A 28 -3.858 2.167 -5.951 1.00 0.00 N ATOM 366 CA SER A 28 -2.786 1.356 -5.387 1.00 0.00 C ATOM 367 C SER A 28 -2.573 1.687 -3.912 1.00 0.00 C ATOM 368 O SER A 28 -2.245 2.820 -3.559 1.00 0.00 O ATOM 369 CB SER A 28 -1.486 1.577 -6.163 1.00 0.00 C ATOM 370 OG SER A 28 -1.587 1.068 -7.481 1.00 0.00 O ATOM 0 H SER A 28 -3.547 2.867 -6.624 1.00 0.00 H new ATOM 0 HA SER A 28 -3.076 0.308 -5.469 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.256 2.642 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.661 1.089 -5.644 1.00 0.00 H new ATOM 0 HG SER A 28 -0.744 1.223 -7.957 1.00 0.00 H new ATOM 376 N LEU A 29 -2.762 0.690 -3.055 1.00 0.00 N ATOM 377 CA LEU A 29 -2.592 0.872 -1.618 1.00 0.00 C ATOM 378 C LEU A 29 -1.116 0.827 -1.235 1.00 0.00 C ATOM 379 O LEU A 29 -0.311 0.174 -1.899 1.00 0.00 O ATOM 380 CB LEU A 29 -3.363 -0.203 -0.852 1.00 0.00 C ATOM 381 CG LEU A 29 -3.978 0.231 0.479 1.00 0.00 C ATOM 382 CD1 LEU A 29 -5.216 -0.596 0.790 1.00 0.00 C ATOM 383 CD2 LEU A 29 -2.957 0.109 1.602 1.00 0.00 C ATOM 0 H LEU A 29 -3.033 -0.254 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.988 1.852 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.161 -0.576 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.690 -1.039 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.276 1.276 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.640 -0.273 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.953 -0.459 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.943 -1.649 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.411 0.422 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.629 -0.927 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.099 0.745 1.384 1.00 0.00 H new ATOM 395 N PHE A 30 -0.768 1.523 -0.158 1.00 0.00 N ATOM 396 CA PHE A 30 0.610 1.563 0.315 1.00 0.00 C ATOM 397 C PHE A 30 0.798 0.642 1.519 1.00 0.00 C ATOM 398 O PHE A 30 -0.134 0.370 2.275 1.00 0.00 O ATOM 399 CB PHE A 30 1.005 2.993 0.686 1.00 0.00 C ATOM 400 CG PHE A 30 1.617 3.760 -0.451 1.00 0.00 C ATOM 401 CD1 PHE A 30 0.967 3.850 -1.672 1.00 0.00 C ATOM 402 CD2 PHE A 30 2.842 4.390 -0.300 1.00 0.00 C ATOM 403 CE1 PHE A 30 1.528 4.555 -2.720 1.00 0.00 C ATOM 404 CE2 PHE A 30 3.407 5.097 -1.345 1.00 0.00 C ATOM 405 CZ PHE A 30 2.750 5.180 -2.556 1.00 0.00 C ATOM 0 H PHE A 30 -1.422 2.067 0.404 1.00 0.00 H new ATOM 0 HA PHE A 30 1.255 1.215 -0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.122 3.525 1.039 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.712 2.963 1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.012 3.364 -1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.361 4.328 0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.012 4.618 -3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.362 5.584 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.190 5.732 -3.374 1.00 0.00 H new ATOM 415 N PRO A 31 2.033 0.152 1.701 1.00 0.00 N ATOM 416 CA PRO A 31 3.151 0.469 0.806 1.00 0.00 C ATOM 417 C PRO A 31 2.994 -0.171 -0.569 1.00 0.00 C ATOM 418 O PRO A 31 3.473 0.359 -1.570 1.00 0.00 O ATOM 419 CB PRO A 31 4.364 -0.117 1.534 1.00 0.00 C ATOM 420 CG PRO A 31 3.807 -1.206 2.382 1.00 0.00 C ATOM 421 CD PRO A 31 2.434 -0.751 2.793 1.00 0.00 C ATOM 0 HA PRO A 31 3.228 1.539 0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.101 -0.502 0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.866 0.638 2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.758 -2.144 1.829 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.437 -1.382 3.254 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.746 -1.590 2.894 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.452 -0.237 3.754 1.00 0.00 H new ATOM 429 N CYS A 32 2.318 -1.315 -0.609 1.00 0.00 N ATOM 430 CA CYS A 32 2.095 -2.028 -1.861 1.00 0.00 C ATOM 431 C CYS A 32 1.020 -3.098 -1.695 1.00 0.00 C ATOM 432 O CYS A 32 0.894 -3.705 -0.632 1.00 0.00 O ATOM 433 CB CYS A 32 3.398 -2.671 -2.343 1.00 0.00 C ATOM 434 SG CYS A 32 4.596 -3.010 -1.014 1.00 0.00 S ATOM 0 H CYS A 32 1.915 -1.768 0.212 1.00 0.00 H new ATOM 0 HA CYS A 32 1.754 -1.308 -2.605 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.163 -3.605 -2.852 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.864 -2.015 -3.079 1.00 0.00 H new ATOM 439 N ARG A 33 0.246 -3.321 -2.753 1.00 0.00 N ATOM 440 CA ARG A 33 -0.819 -4.315 -2.723 1.00 0.00 C ATOM 441 C ARG A 33 -0.256 -5.721 -2.914 1.00 0.00 C ATOM 442 O ARG A 33 -0.754 -6.684 -2.331 1.00 0.00 O ATOM 443 CB ARG A 33 -1.853 -4.017 -3.810 1.00 0.00 C ATOM 444 CG ARG A 33 -1.393 -4.391 -5.210 1.00 0.00 C ATOM 445 CD ARG A 33 -1.828 -5.800 -5.580 1.00 0.00 C ATOM 446 NE ARG A 33 -1.352 -6.188 -6.906 1.00 0.00 N ATOM 447 CZ ARG A 33 -1.946 -7.108 -7.659 1.00 0.00 C ATOM 448 NH1 ARG A 33 -3.031 -7.730 -7.220 1.00 0.00 N ATOM 449 NH2 ARG A 33 -1.454 -7.406 -8.855 1.00 0.00 N ATOM 0 H ARG A 33 0.337 -2.827 -3.641 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.302 -4.265 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.772 -4.557 -3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.094 -2.954 -3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.801 -3.682 -5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.307 -4.317 -5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.449 -6.503 -4.838 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.916 -5.863 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.519 -5.728 -7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.413 -7.503 -6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.484 -8.436 -7.801 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.620 -6.929 -9.197 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.910 -8.112 -9.433 1.00 0.00 H new ATOM 463 N VAL A 34 0.783 -5.830 -3.735 1.00 0.00 N ATOM 464 CA VAL A 34 1.413 -7.117 -4.001 1.00 0.00 C ATOM 465 C VAL A 34 1.338 -8.030 -2.782 1.00 0.00 C ATOM 466 O VAL A 34 1.005 -9.210 -2.896 1.00 0.00 O ATOM 467 CB VAL A 34 2.889 -6.945 -4.410 1.00 0.00 C ATOM 468 CG1 VAL A 34 3.702 -6.390 -3.251 1.00 0.00 C ATOM 469 CG2 VAL A 34 3.465 -8.267 -4.893 1.00 0.00 C ATOM 0 H VAL A 34 1.206 -5.043 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 34 0.865 -7.573 -4.826 1.00 0.00 H new ATOM 0 HB VAL A 34 2.940 -6.232 -5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.742 -6.275 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.301 -5.420 -2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.647 -7.077 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.508 -8.127 -5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.403 -9.005 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.898 -8.618 -5.755 1.00 0.00 H new ATOM 479 N CYS A 35 1.650 -7.476 -1.616 1.00 0.00 N ATOM 480 CA CYS A 35 1.617 -8.238 -0.374 1.00 0.00 C ATOM 481 C CYS A 35 0.195 -8.332 0.170 1.00 0.00 C ATOM 482 O CYS A 35 -0.445 -7.317 0.447 1.00 0.00 O ATOM 483 CB CYS A 35 2.532 -7.593 0.669 1.00 0.00 C ATOM 484 SG CYS A 35 2.409 -5.777 0.745 1.00 0.00 S ATOM 0 H CYS A 35 1.929 -6.501 -1.505 1.00 0.00 H new ATOM 0 HA CYS A 35 1.973 -9.246 -0.587 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.293 -8.004 1.650 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.564 -7.868 0.451 1.00 0.00 H new ATOM 489 N THR A 36 -0.295 -9.559 0.322 1.00 0.00 N ATOM 490 CA THR A 36 -1.641 -9.788 0.831 1.00 0.00 C ATOM 491 C THR A 36 -2.022 -8.738 1.869 1.00 0.00 C ATOM 492 O THR A 36 -3.008 -8.019 1.706 1.00 0.00 O ATOM 493 CB THR A 36 -1.774 -11.187 1.461 1.00 0.00 C ATOM 494 OG1 THR A 36 -1.374 -12.188 0.519 1.00 0.00 O ATOM 495 CG2 THR A 36 -3.205 -11.445 1.907 1.00 0.00 C ATOM 0 H THR A 36 0.222 -10.410 0.099 1.00 0.00 H new ATOM 0 HA THR A 36 -2.317 -9.716 -0.021 1.00 0.00 H new ATOM 0 HB THR A 36 -1.124 -11.232 2.335 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.460 -13.075 0.928 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.275 -12.439 2.349 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.496 -10.698 2.646 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.871 -11.383 1.046 1.00 0.00 H new ATOM 503 N ARG A 37 -1.232 -8.653 2.935 1.00 0.00 N ATOM 504 CA ARG A 37 -1.488 -7.690 4.000 1.00 0.00 C ATOM 505 C ARG A 37 -1.163 -6.273 3.540 1.00 0.00 C ATOM 506 O ARG A 37 -0.196 -6.051 2.810 1.00 0.00 O ATOM 507 CB ARG A 37 -0.661 -8.038 5.240 1.00 0.00 C ATOM 508 CG ARG A 37 -1.234 -7.476 6.530 1.00 0.00 C ATOM 509 CD ARG A 37 -0.606 -8.131 7.750 1.00 0.00 C ATOM 510 NE ARG A 37 -0.882 -9.565 7.805 1.00 0.00 N ATOM 511 CZ ARG A 37 -0.110 -10.438 8.442 1.00 0.00 C ATOM 512 NH1 ARG A 37 0.980 -10.027 9.075 1.00 0.00 N ATOM 513 NH2 ARG A 37 -0.428 -11.726 8.447 1.00 0.00 N ATOM 0 H ARG A 37 -0.410 -9.239 3.084 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.547 -7.737 4.253 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.589 -9.122 5.326 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.353 -7.661 5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.065 -6.400 6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.313 -7.630 6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.472 -7.970 7.733 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.986 -7.654 8.653 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.713 -9.915 7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.228 -9.038 9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.571 -10.700 9.563 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.266 -12.046 7.961 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.165 -12.396 8.936 1.00 0.00 H new ATOM 527 N VAL A 38 -1.978 -5.314 3.971 1.00 0.00 N ATOM 528 CA VAL A 38 -1.777 -3.918 3.605 1.00 0.00 C ATOM 529 C VAL A 38 -1.783 -3.020 4.837 1.00 0.00 C ATOM 530 O VAL A 38 -2.564 -3.228 5.766 1.00 0.00 O ATOM 531 CB VAL A 38 -2.861 -3.433 2.623 1.00 0.00 C ATOM 532 CG1 VAL A 38 -2.817 -4.242 1.337 1.00 0.00 C ATOM 533 CG2 VAL A 38 -4.236 -3.516 3.269 1.00 0.00 C ATOM 0 H VAL A 38 -2.784 -5.480 4.574 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.803 -3.855 3.119 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.663 -2.391 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.590 -3.885 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.839 -4.128 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.990 -5.294 1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.991 -3.170 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.445 -4.549 3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.258 -2.889 4.160 1.00 0.00 H new ATOM 543 N PHE A 39 -0.908 -2.019 4.838 1.00 0.00 N ATOM 544 CA PHE A 39 -0.812 -1.089 5.956 1.00 0.00 C ATOM 545 C PHE A 39 -0.334 0.281 5.484 1.00 0.00 C ATOM 546 O PHE A 39 0.775 0.420 4.968 1.00 0.00 O ATOM 547 CB PHE A 39 0.140 -1.635 7.022 1.00 0.00 C ATOM 548 CG PHE A 39 1.284 -2.426 6.455 1.00 0.00 C ATOM 549 CD1 PHE A 39 2.438 -1.789 6.027 1.00 0.00 C ATOM 550 CD2 PHE A 39 1.205 -3.805 6.350 1.00 0.00 C ATOM 551 CE1 PHE A 39 3.492 -2.515 5.503 1.00 0.00 C ATOM 552 CE2 PHE A 39 2.256 -4.536 5.828 1.00 0.00 C ATOM 553 CZ PHE A 39 3.401 -3.890 5.406 1.00 0.00 C ATOM 0 H PHE A 39 -0.256 -1.832 4.077 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.806 -0.978 6.390 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.537 -0.803 7.604 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.422 -2.266 7.711 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.515 -0.714 6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.312 -4.315 6.680 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.385 -2.008 5.170 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.182 -5.611 5.750 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.225 -4.459 5.001 1.00 0.00 H new ATOM 563 N HIS A 40 -1.179 1.291 5.666 1.00 0.00 N ATOM 564 CA HIS A 40 -0.843 2.651 5.259 1.00 0.00 C ATOM 565 C HIS A 40 0.410 3.140 5.978 1.00 0.00 C ATOM 566 O HIS A 40 0.375 3.439 7.172 1.00 0.00 O ATOM 567 CB HIS A 40 -2.011 3.595 5.547 1.00 0.00 C ATOM 568 CG HIS A 40 -3.312 3.135 4.961 1.00 0.00 C ATOM 569 ND1 HIS A 40 -3.580 2.178 4.044 1.00 0.00 N flip ATOM 570 CD2 HIS A 40 -4.529 3.680 5.312 1.00 0.00 C flip ATOM 571 CE1 HIS A 40 -4.940 2.161 3.859 1.00 0.00 C flip ATOM 572 NE2 HIS A 40 -5.490 3.076 4.635 1.00 0.00 N flip ATOM 0 H HIS A 40 -2.101 1.194 6.092 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.646 2.644 4.187 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.125 3.700 6.626 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.774 4.584 5.154 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.674 4.476 6.028 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.474 1.505 3.187 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -6.487 3.282 4.701 1.00 0.00 H new ATOM 580 N ASP A 41 1.515 3.217 5.245 1.00 0.00 N ATOM 581 CA ASP A 41 2.779 3.669 5.812 1.00 0.00 C ATOM 582 C ASP A 41 2.556 4.818 6.791 1.00 0.00 C ATOM 583 O ASP A 41 3.231 4.914 7.815 1.00 0.00 O ATOM 584 CB ASP A 41 3.734 4.108 4.702 1.00 0.00 C ATOM 585 CG ASP A 41 4.600 2.970 4.198 1.00 0.00 C ATOM 586 OD1 ASP A 41 4.841 2.020 4.973 1.00 0.00 O ATOM 587 OD2 ASP A 41 5.034 3.027 3.029 1.00 0.00 O ATOM 0 H ASP A 41 1.561 2.972 4.256 1.00 0.00 H new ATOM 0 HA ASP A 41 3.224 2.834 6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.158 4.517 3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.373 4.910 5.073 1.00 0.00 H new ATOM 592 N GLY A 42 1.604 5.688 6.468 1.00 0.00 N ATOM 593 CA GLY A 42 1.309 6.818 7.328 1.00 0.00 C ATOM 594 C GLY A 42 0.769 6.394 8.679 1.00 0.00 C ATOM 595 O GLY A 42 1.206 6.894 9.716 1.00 0.00 O ATOM 0 H GLY A 42 1.032 5.630 5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.215 7.408 7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.582 7.465 6.836 1.00 0.00 H new ATOM 599 N CYS A 43 -0.187 5.471 8.670 1.00 0.00 N ATOM 600 CA CYS A 43 -0.789 4.980 9.903 1.00 0.00 C ATOM 601 C CYS A 43 0.280 4.473 10.867 1.00 0.00 C ATOM 602 O CYS A 43 0.255 4.783 12.058 1.00 0.00 O ATOM 603 CB CYS A 43 -1.788 3.862 9.598 1.00 0.00 C ATOM 604 SG CYS A 43 -3.396 4.450 8.978 1.00 0.00 S ATOM 0 H CYS A 43 -0.562 5.048 7.821 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.315 5.809 10.376 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.350 3.190 8.860 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.951 3.278 10.504 1.00 0.00 H new ATOM 609 N LEU A 44 1.218 3.692 10.343 1.00 0.00 N ATOM 610 CA LEU A 44 2.298 3.141 11.156 1.00 0.00 C ATOM 611 C LEU A 44 3.187 4.251 11.704 1.00 0.00 C ATOM 612 O LEU A 44 3.271 4.451 12.917 1.00 0.00 O ATOM 613 CB LEU A 44 3.135 2.162 10.332 1.00 0.00 C ATOM 614 CG LEU A 44 2.364 1.035 9.641 1.00 0.00 C ATOM 615 CD1 LEU A 44 3.243 0.340 8.612 1.00 0.00 C ATOM 616 CD2 LEU A 44 1.848 0.037 10.666 1.00 0.00 C ATOM 0 H LEU A 44 1.253 3.426 9.359 1.00 0.00 H new ATOM 0 HA LEU A 44 1.852 2.610 11.997 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.673 2.727 9.571 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.884 1.715 10.986 1.00 0.00 H new ATOM 0 HG LEU A 44 1.509 1.469 9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.678 -0.458 8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.564 1.062 7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.118 -0.082 9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.302 -0.758 10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.689 -0.392 11.211 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.183 0.544 11.365 1.00 0.00 H new ATOM 628 N ARG A 45 3.846 4.973 10.804 1.00 0.00 N ATOM 629 CA ARG A 45 4.729 6.065 11.199 1.00 0.00 C ATOM 630 C ARG A 45 4.023 7.014 12.162 1.00 0.00 C ATOM 631 O ARG A 45 4.638 7.548 13.085 1.00 0.00 O ATOM 632 CB ARG A 45 5.206 6.835 9.965 1.00 0.00 C ATOM 633 CG ARG A 45 4.210 7.871 9.472 1.00 0.00 C ATOM 634 CD ARG A 45 4.728 8.600 8.241 1.00 0.00 C ATOM 635 NE ARG A 45 5.571 9.739 8.595 1.00 0.00 N ATOM 636 CZ ARG A 45 5.926 10.686 7.733 1.00 0.00 C ATOM 637 NH1 ARG A 45 5.511 10.630 6.474 1.00 0.00 N ATOM 638 NH2 ARG A 45 6.695 11.691 8.130 1.00 0.00 N ATOM 0 H ARG A 45 3.786 4.822 9.797 1.00 0.00 H new ATOM 0 HA ARG A 45 5.592 5.635 11.707 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.148 7.331 10.198 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.409 6.127 9.161 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.263 7.384 9.237 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.010 8.591 10.265 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.297 7.907 7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.885 8.945 7.642 1.00 0.00 H new ATOM 0 HE ARG A 45 5.905 9.811 9.556 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.918 9.859 6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.785 11.358 5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.014 11.737 9.098 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.967 12.417 7.468 1.00 0.00 H new ATOM 652 N ARG A 46 2.729 7.219 11.941 1.00 0.00 N ATOM 653 CA ARG A 46 1.939 8.105 12.788 1.00 0.00 C ATOM 654 C ARG A 46 1.912 7.599 14.226 1.00 0.00 C ATOM 655 O ARG A 46 2.430 8.251 15.133 1.00 0.00 O ATOM 656 CB ARG A 46 0.511 8.221 12.250 1.00 0.00 C ATOM 657 CG ARG A 46 -0.286 9.351 12.880 1.00 0.00 C ATOM 658 CD ARG A 46 -0.976 8.900 14.159 1.00 0.00 C ATOM 659 NE ARG A 46 -2.198 8.148 13.886 1.00 0.00 N ATOM 660 CZ ARG A 46 -2.829 7.417 14.797 1.00 0.00 C ATOM 661 NH1 ARG A 46 -2.356 7.339 16.034 1.00 0.00 N ATOM 662 NH2 ARG A 46 -3.936 6.760 14.473 1.00 0.00 N ATOM 0 H ARG A 46 2.205 6.783 11.182 1.00 0.00 H new ATOM 0 HA ARG A 46 2.406 9.090 12.776 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.549 8.372 11.171 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.011 7.280 12.422 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.377 10.188 13.099 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.031 9.712 12.171 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.292 8.282 14.741 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.215 9.771 14.768 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.588 8.187 12.944 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.505 7.842 16.287 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.843 6.777 16.732 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.303 6.816 13.523 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.420 6.199 15.174 1.00 0.00 H new ATOM 676 N MET A 47 1.304 6.435 14.428 1.00 0.00 N ATOM 677 CA MET A 47 1.212 5.842 15.758 1.00 0.00 C ATOM 678 C MET A 47 2.597 5.649 16.365 1.00 0.00 C ATOM 679 O MET A 47 2.846 6.043 17.505 1.00 0.00 O ATOM 680 CB MET A 47 0.481 4.500 15.690 1.00 0.00 C ATOM 681 CG MET A 47 -0.910 4.594 15.084 1.00 0.00 C ATOM 682 SD MET A 47 -1.419 3.067 14.273 1.00 0.00 S ATOM 683 CE MET A 47 -2.011 2.120 15.673 1.00 0.00 C ATOM 0 H MET A 47 0.868 5.884 13.689 1.00 0.00 H new ATOM 0 HA MET A 47 0.648 6.524 16.395 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.077 3.801 15.104 1.00 0.00 H new ATOM 0 HB3 MET A 47 0.403 4.087 16.696 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.627 4.841 15.867 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.933 5.410 14.361 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.311 1.127 15.339 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.216 2.029 16.413 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.866 2.627 16.120 1.00 0.00 H new ATOM 693 N GLY A 48 3.497 5.042 15.598 1.00 0.00 N ATOM 694 CA GLY A 48 4.846 4.809 16.079 1.00 0.00 C ATOM 695 C GLY A 48 5.287 3.370 15.892 1.00 0.00 C ATOM 696 O GLY A 48 5.975 2.810 16.746 1.00 0.00 O ATOM 0 H GLY A 48 3.316 4.707 14.652 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.535 5.469 15.552 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.902 5.069 17.136 1.00 0.00 H new ATOM 700 N TYR A 49 4.889 2.772 14.776 1.00 0.00 N ATOM 701 CA TYR A 49 5.244 1.388 14.482 1.00 0.00 C ATOM 702 C TYR A 49 6.566 1.314 13.723 1.00 0.00 C ATOM 703 O TYR A 49 7.400 0.449 13.990 1.00 0.00 O ATOM 704 CB TYR A 49 4.137 0.717 13.667 1.00 0.00 C ATOM 705 CG TYR A 49 2.996 0.197 14.512 1.00 0.00 C ATOM 706 CD1 TYR A 49 3.215 -0.755 15.500 1.00 0.00 C ATOM 707 CD2 TYR A 49 1.698 0.654 14.319 1.00 0.00 C ATOM 708 CE1 TYR A 49 2.175 -1.235 16.274 1.00 0.00 C ATOM 709 CE2 TYR A 49 0.652 0.182 15.089 1.00 0.00 C ATOM 710 CZ TYR A 49 0.896 -0.763 16.065 1.00 0.00 C ATOM 711 OH TYR A 49 -0.143 -1.238 16.832 1.00 0.00 O ATOM 0 H TYR A 49 4.320 3.223 14.059 1.00 0.00 H new ATOM 0 HA TYR A 49 5.359 0.860 15.429 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.746 1.432 12.943 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.565 -0.110 13.100 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.215 -1.127 15.666 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.503 1.391 13.554 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.363 -1.975 17.038 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.350 0.550 14.928 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.977 -0.803 16.558 1.00 0.00 H new ATOM 721 N ILE A 50 6.748 2.228 12.775 1.00 0.00 N ATOM 722 CA ILE A 50 7.967 2.268 11.978 1.00 0.00 C ATOM 723 C ILE A 50 9.206 2.210 12.865 1.00 0.00 C ATOM 724 O ILE A 50 9.978 1.254 12.807 1.00 0.00 O ATOM 725 CB ILE A 50 8.030 3.539 11.109 1.00 0.00 C ATOM 726 CG1 ILE A 50 6.772 3.656 10.246 1.00 0.00 C ATOM 727 CG2 ILE A 50 9.277 3.524 10.239 1.00 0.00 C ATOM 728 CD1 ILE A 50 6.484 2.417 9.428 1.00 0.00 C ATOM 0 H ILE A 50 6.067 2.950 12.541 1.00 0.00 H new ATOM 0 HA ILE A 50 7.948 1.394 11.328 1.00 0.00 H new ATOM 0 HB ILE A 50 8.079 4.408 11.765 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.917 3.863 10.890 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.879 4.508 9.575 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.307 4.428 9.631 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.163 3.483 10.873 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.256 2.650 9.588 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.579 2.571 8.841 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.321 2.220 8.759 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.344 1.566 10.094 1.00 0.00 H new ATOM 740 N GLN A 51 9.388 3.240 13.686 1.00 0.00 N ATOM 741 CA GLN A 51 10.533 3.304 14.587 1.00 0.00 C ATOM 742 C GLN A 51 10.106 3.763 15.978 1.00 0.00 C ATOM 743 O GLN A 51 8.928 4.020 16.224 1.00 0.00 O ATOM 744 CB GLN A 51 11.594 4.253 14.028 1.00 0.00 C ATOM 745 CG GLN A 51 12.618 3.565 13.141 1.00 0.00 C ATOM 746 CD GLN A 51 13.624 2.751 13.931 1.00 0.00 C ATOM 747 OE1 GLN A 51 14.610 3.285 14.439 1.00 0.00 O ATOM 748 NE2 GLN A 51 13.378 1.450 14.040 1.00 0.00 N ATOM 0 H GLN A 51 8.758 4.040 13.746 1.00 0.00 H new ATOM 0 HA GLN A 51 10.956 2.303 14.669 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.101 5.040 13.457 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.110 4.737 14.857 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.102 2.913 12.436 1.00 0.00 H new ATOM 0 HG3 GLN A 51 13.146 4.316 12.553 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.548 1.049 13.603 1.00 0.00 H new ATOM 0 HE22 GLN A 51 14.019 0.852 14.561 1.00 0.00 H new ATOM 757 N GLY A 52 11.073 3.863 16.886 1.00 0.00 N ATOM 758 CA GLY A 52 10.777 4.289 18.240 1.00 0.00 C ATOM 759 C GLY A 52 11.687 5.408 18.707 1.00 0.00 C ATOM 760 O GLY A 52 12.896 5.372 18.479 1.00 0.00 O ATOM 0 H GLY A 52 12.056 3.656 16.707 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.740 4.621 18.295 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.876 3.439 18.915 1.00 0.00 H new ATOM 764 N ASP A 53 11.104 6.407 19.362 1.00 0.00 N ATOM 765 CA ASP A 53 11.871 7.543 19.862 1.00 0.00 C ATOM 766 C ASP A 53 12.829 8.064 18.795 1.00 0.00 C ATOM 767 O ASP A 53 13.994 8.343 19.078 1.00 0.00 O ATOM 768 CB ASP A 53 12.650 7.147 21.117 1.00 0.00 C ATOM 769 CG ASP A 53 13.159 8.351 21.886 1.00 0.00 C ATOM 770 OD1 ASP A 53 14.266 8.834 21.565 1.00 0.00 O ATOM 771 OD2 ASP A 53 12.453 8.808 22.808 1.00 0.00 O ATOM 0 H ASP A 53 10.104 6.453 19.559 1.00 0.00 H new ATOM 0 HA ASP A 53 11.171 8.339 20.115 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.009 6.550 21.766 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.493 6.517 20.834 1.00 0.00 H new ATOM 776 N SER A 54 12.331 8.190 17.570 1.00 0.00 N ATOM 777 CA SER A 54 13.145 8.672 16.460 1.00 0.00 C ATOM 778 C SER A 54 12.269 9.270 15.363 1.00 0.00 C ATOM 779 O SER A 54 11.054 9.077 15.350 1.00 0.00 O ATOM 780 CB SER A 54 13.992 7.533 15.888 1.00 0.00 C ATOM 781 OG SER A 54 13.235 6.735 14.994 1.00 0.00 O ATOM 0 H SER A 54 11.368 7.965 17.320 1.00 0.00 H new ATOM 0 HA SER A 54 13.806 9.452 16.839 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.858 7.944 15.369 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.372 6.914 16.701 1.00 0.00 H new ATOM 0 HG SER A 54 13.832 6.118 14.521 1.00 0.00 H new ATOM 787 N ALA A 55 12.896 9.997 14.443 1.00 0.00 N ATOM 788 CA ALA A 55 12.175 10.622 13.342 1.00 0.00 C ATOM 789 C ALA A 55 12.966 10.523 12.042 1.00 0.00 C ATOM 790 O ALA A 55 14.090 10.022 12.025 1.00 0.00 O ATOM 791 CB ALA A 55 11.870 12.076 13.668 1.00 0.00 C ATOM 0 H ALA A 55 13.902 10.167 14.439 1.00 0.00 H new ATOM 0 HA ALA A 55 11.235 10.088 13.206 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.331 12.530 12.836 1.00 0.00 H new ATOM 0 HB2 ALA A 55 11.257 12.126 14.568 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.803 12.615 13.833 1.00 0.00 H new ATOM 797 N ALA A 56 12.371 11.002 10.954 1.00 0.00 N ATOM 798 CA ALA A 56 13.022 10.969 9.651 1.00 0.00 C ATOM 799 C ALA A 56 12.278 11.839 8.644 1.00 0.00 C ATOM 800 O ALA A 56 11.051 11.785 8.550 1.00 0.00 O ATOM 801 CB ALA A 56 13.117 9.537 9.145 1.00 0.00 C ATOM 0 H ALA A 56 11.439 11.417 10.950 1.00 0.00 H new ATOM 0 HA ALA A 56 14.029 11.370 9.765 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.605 9.527 8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.698 8.940 9.848 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.116 9.116 9.053 1.00 0.00 H new ATOM 807 N GLU A 57 13.027 12.641 7.894 1.00 0.00 N ATOM 808 CA GLU A 57 12.435 13.524 6.895 1.00 0.00 C ATOM 809 C GLU A 57 12.964 13.198 5.500 1.00 0.00 C ATOM 810 O GLU A 57 13.875 13.859 5.000 1.00 0.00 O ATOM 811 CB GLU A 57 12.730 14.985 7.236 1.00 0.00 C ATOM 812 CG GLU A 57 14.182 15.246 7.598 1.00 0.00 C ATOM 813 CD GLU A 57 14.454 16.704 7.912 1.00 0.00 C ATOM 814 OE1 GLU A 57 14.726 17.473 6.966 1.00 0.00 O ATOM 815 OE2 GLU A 57 14.395 17.076 9.102 1.00 0.00 O ATOM 0 H GLU A 57 14.043 12.698 7.959 1.00 0.00 H new ATOM 0 HA GLU A 57 11.356 13.368 6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.459 15.609 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.097 15.290 8.069 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.452 14.636 8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.820 14.931 6.772 1.00 0.00 H new ATOM 822 N VAL A 58 12.388 12.175 4.879 1.00 0.00 N ATOM 823 CA VAL A 58 12.799 11.762 3.542 1.00 0.00 C ATOM 824 C VAL A 58 11.653 11.901 2.547 1.00 0.00 C ATOM 825 O VAL A 58 10.492 12.034 2.933 1.00 0.00 O ATOM 826 CB VAL A 58 13.299 10.305 3.535 1.00 0.00 C ATOM 827 CG1 VAL A 58 14.527 10.156 4.418 1.00 0.00 C ATOM 828 CG2 VAL A 58 12.192 9.362 3.982 1.00 0.00 C ATOM 0 H VAL A 58 11.635 11.616 5.280 1.00 0.00 H new ATOM 0 HA VAL A 58 13.615 12.420 3.244 1.00 0.00 H new ATOM 0 HB VAL A 58 13.582 10.041 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 58 14.865 9.120 4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.322 10.803 4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.276 10.438 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 58 12.561 8.337 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 58 11.877 9.624 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.344 9.449 3.303 1.00 0.00 H new ATOM 838 N THR A 59 11.987 11.867 1.261 1.00 0.00 N ATOM 839 CA THR A 59 10.986 11.990 0.207 1.00 0.00 C ATOM 840 C THR A 59 10.026 10.807 0.222 1.00 0.00 C ATOM 841 O THR A 59 10.375 9.718 0.678 1.00 0.00 O ATOM 842 CB THR A 59 11.642 12.087 -1.183 1.00 0.00 C ATOM 843 OG1 THR A 59 10.656 12.413 -2.168 1.00 0.00 O ATOM 844 CG2 THR A 59 12.323 10.777 -1.552 1.00 0.00 C ATOM 0 H THR A 59 12.943 11.755 0.923 1.00 0.00 H new ATOM 0 HA THR A 59 10.431 12.908 0.403 1.00 0.00 H new ATOM 0 HB THR A 59 12.396 12.873 -1.151 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.081 12.475 -3.049 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.779 10.869 -2.538 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.093 10.547 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.585 9.975 -1.567 1.00 0.00 H new ATOM 852 N GLU A 60 8.815 11.028 -0.280 1.00 0.00 N ATOM 853 CA GLU A 60 7.803 9.977 -0.324 1.00 0.00 C ATOM 854 C GLU A 60 7.928 9.156 -1.603 1.00 0.00 C ATOM 855 O GLU A 60 7.530 9.599 -2.679 1.00 0.00 O ATOM 856 CB GLU A 60 6.402 10.584 -0.229 1.00 0.00 C ATOM 857 CG GLU A 60 6.183 11.417 1.023 1.00 0.00 C ATOM 858 CD GLU A 60 6.211 10.585 2.291 1.00 0.00 C ATOM 859 OE1 GLU A 60 7.314 10.163 2.697 1.00 0.00 O ATOM 860 OE2 GLU A 60 5.131 10.354 2.874 1.00 0.00 O ATOM 0 H GLU A 60 8.510 11.924 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 60 7.963 9.317 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.225 11.207 -1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.665 9.781 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.952 12.187 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.224 11.929 0.950 1.00 0.00 H new ATOM 867 N MET A 61 8.484 7.955 -1.476 1.00 0.00 N ATOM 868 CA MET A 61 8.660 7.070 -2.622 1.00 0.00 C ATOM 869 C MET A 61 8.636 5.608 -2.189 1.00 0.00 C ATOM 870 O MET A 61 9.581 5.118 -1.572 1.00 0.00 O ATOM 871 CB MET A 61 9.977 7.381 -3.335 1.00 0.00 C ATOM 872 CG MET A 61 10.004 8.751 -3.993 1.00 0.00 C ATOM 873 SD MET A 61 11.357 8.931 -5.171 1.00 0.00 S ATOM 874 CE MET A 61 12.764 8.552 -4.130 1.00 0.00 C ATOM 0 H MET A 61 8.820 7.573 -0.592 1.00 0.00 H new ATOM 0 HA MET A 61 7.833 7.240 -3.311 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.794 7.316 -2.616 1.00 0.00 H new ATOM 0 HB3 MET A 61 10.159 6.619 -4.093 1.00 0.00 H new ATOM 0 HG2 MET A 61 9.057 8.922 -4.505 1.00 0.00 H new ATOM 0 HG3 MET A 61 10.094 9.517 -3.223 1.00 0.00 H new ATOM 0 HE1 MET A 61 13.527 9.321 -4.255 1.00 0.00 H new ATOM 0 HE2 MET A 61 12.447 8.521 -3.087 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.176 7.583 -4.413 1.00 0.00 H new ATOM 884 N ALA A 62 7.549 4.916 -2.514 1.00 0.00 N ATOM 885 CA ALA A 62 7.403 3.510 -2.161 1.00 0.00 C ATOM 886 C ALA A 62 7.541 2.617 -3.389 1.00 0.00 C ATOM 887 O ALA A 62 8.440 1.778 -3.462 1.00 0.00 O ATOM 888 CB ALA A 62 6.062 3.273 -1.481 1.00 0.00 C ATOM 0 H ALA A 62 6.756 5.307 -3.022 1.00 0.00 H new ATOM 0 HA ALA A 62 8.202 3.251 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.966 2.218 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.002 3.875 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.256 3.555 -2.158 1.00 0.00 H new ATOM 894 N HIS A 63 6.645 2.803 -4.353 1.00 0.00 N ATOM 895 CA HIS A 63 6.667 2.012 -5.579 1.00 0.00 C ATOM 896 C HIS A 63 7.786 2.478 -6.506 1.00 0.00 C ATOM 897 O HIS A 63 8.497 1.665 -7.096 1.00 0.00 O ATOM 898 CB HIS A 63 5.321 2.110 -6.297 1.00 0.00 C ATOM 899 CG HIS A 63 4.320 1.095 -5.835 1.00 0.00 C ATOM 900 ND1 HIS A 63 3.377 0.534 -6.669 1.00 0.00 N ATOM 901 CD2 HIS A 63 4.120 0.540 -4.617 1.00 0.00 C ATOM 902 CE1 HIS A 63 2.639 -0.321 -5.983 1.00 0.00 C ATOM 903 NE2 HIS A 63 3.070 -0.336 -4.735 1.00 0.00 N ATOM 0 H HIS A 63 5.895 3.493 -4.309 1.00 0.00 H new ATOM 0 HA HIS A 63 6.852 0.972 -5.309 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.910 3.108 -6.146 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.480 1.989 -7.369 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.266 0.746 -7.661 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.682 0.748 -3.719 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.822 -0.908 -6.376 1.00 0.00 H new ATOM 911 N THR A 64 7.936 3.794 -6.628 1.00 0.00 N ATOM 912 CA THR A 64 8.967 4.368 -7.484 1.00 0.00 C ATOM 913 C THR A 64 10.354 3.888 -7.072 1.00 0.00 C ATOM 914 O THR A 64 10.686 3.868 -5.888 1.00 0.00 O ATOM 915 CB THR A 64 8.936 5.908 -7.444 1.00 0.00 C ATOM 916 OG1 THR A 64 7.650 6.383 -7.859 1.00 0.00 O ATOM 917 CG2 THR A 64 10.013 6.494 -8.345 1.00 0.00 C ATOM 0 H THR A 64 7.357 4.481 -6.145 1.00 0.00 H new ATOM 0 HA THR A 64 8.757 4.034 -8.500 1.00 0.00 H new ATOM 0 HB THR A 64 9.128 6.227 -6.420 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.638 7.362 -7.829 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.972 7.582 -8.301 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.993 6.154 -8.010 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.847 6.166 -9.371 1.00 0.00 H new ATOM 925 N GLU A 65 11.159 3.504 -8.058 1.00 0.00 N ATOM 926 CA GLU A 65 12.511 3.024 -7.796 1.00 0.00 C ATOM 927 C GLU A 65 12.539 2.123 -6.564 1.00 0.00 C ATOM 928 O GLU A 65 13.446 2.211 -5.737 1.00 0.00 O ATOM 929 CB GLU A 65 13.465 4.203 -7.601 1.00 0.00 C ATOM 930 CG GLU A 65 14.921 3.859 -7.869 1.00 0.00 C ATOM 931 CD GLU A 65 15.237 3.772 -9.349 1.00 0.00 C ATOM 932 OE1 GLU A 65 14.971 4.755 -10.072 1.00 0.00 O ATOM 933 OE2 GLU A 65 15.750 2.719 -9.785 1.00 0.00 O ATOM 0 H GLU A 65 10.899 3.516 -9.044 1.00 0.00 H new ATOM 0 HA GLU A 65 12.836 2.442 -8.658 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.165 5.016 -8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.370 4.572 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.559 4.613 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.159 2.907 -7.394 1.00 0.00 H new ATOM 940 N THR A 66 11.537 1.256 -6.449 1.00 0.00 N ATOM 941 CA THR A 66 11.445 0.340 -5.320 1.00 0.00 C ATOM 942 C THR A 66 11.948 0.996 -4.038 1.00 0.00 C ATOM 943 O THR A 66 12.676 0.381 -3.260 1.00 0.00 O ATOM 944 CB THR A 66 12.251 -0.948 -5.574 1.00 0.00 C ATOM 945 OG1 THR A 66 13.641 -0.636 -5.719 1.00 0.00 O ATOM 946 CG2 THR A 66 11.753 -1.661 -6.823 1.00 0.00 C ATOM 0 H THR A 66 10.778 1.170 -7.125 1.00 0.00 H new ATOM 0 HA THR A 66 10.392 0.084 -5.206 1.00 0.00 H new ATOM 0 HB THR A 66 12.115 -1.610 -4.719 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.146 -1.460 -5.879 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.337 -2.567 -6.982 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.703 -1.924 -6.698 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.862 -1.003 -7.685 1.00 0.00 H new ATOM 954 N GLY A 67 11.552 2.247 -3.825 1.00 0.00 N ATOM 955 CA GLY A 67 11.973 2.965 -2.636 1.00 0.00 C ATOM 956 C GLY A 67 12.054 2.068 -1.416 1.00 0.00 C ATOM 957 O GLY A 67 13.138 1.837 -0.880 1.00 0.00 O ATOM 0 H GLY A 67 10.948 2.776 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.948 3.419 -2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.274 3.778 -2.440 1.00 0.00 H new ATOM 961 N TRP A 68 10.907 1.564 -0.977 1.00 0.00 N ATOM 962 CA TRP A 68 10.854 0.689 0.189 1.00 0.00 C ATOM 963 C TRP A 68 10.129 -0.612 -0.139 1.00 0.00 C ATOM 964 O TRP A 68 9.184 -0.625 -0.928 1.00 0.00 O ATOM 965 CB TRP A 68 10.155 1.397 1.352 1.00 0.00 C ATOM 966 CG TRP A 68 11.083 2.227 2.185 1.00 0.00 C ATOM 967 CD1 TRP A 68 11.632 3.431 1.848 1.00 0.00 C ATOM 968 CD2 TRP A 68 11.574 1.914 3.494 1.00 0.00 C ATOM 969 NE1 TRP A 68 12.433 3.886 2.868 1.00 0.00 N ATOM 970 CE2 TRP A 68 12.413 2.972 3.889 1.00 0.00 C ATOM 971 CE3 TRP A 68 11.382 0.842 4.370 1.00 0.00 C ATOM 972 CZ2 TRP A 68 13.061 2.988 5.122 1.00 0.00 C ATOM 973 CZ3 TRP A 68 12.026 0.859 5.593 1.00 0.00 C ATOM 974 CH2 TRP A 68 12.855 1.927 5.960 1.00 0.00 C ATOM 0 H TRP A 68 10.002 1.746 -1.410 1.00 0.00 H new ATOM 0 HA TRP A 68 11.877 0.450 0.480 1.00 0.00 H new ATOM 0 HB2 TRP A 68 9.364 2.035 0.957 1.00 0.00 H new ATOM 0 HB3 TRP A 68 9.676 0.652 1.987 1.00 0.00 H new ATOM 0 HD1 TRP A 68 11.462 3.950 0.916 1.00 0.00 H new ATOM 0 HE1 TRP A 68 12.957 4.761 2.865 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.742 0.016 4.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.703 3.809 5.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 11.888 0.035 6.277 1.00 0.00 H new ATOM 0 HH2 TRP A 68 13.341 1.912 6.924 1.00 0.00 H new ATOM 985 N SER A 69 10.577 -1.704 0.470 1.00 0.00 N ATOM 986 CA SER A 69 9.974 -3.012 0.238 1.00 0.00 C ATOM 987 C SER A 69 9.643 -3.699 1.560 1.00 0.00 C ATOM 988 O SER A 69 10.521 -3.919 2.395 1.00 0.00 O ATOM 989 CB SER A 69 10.914 -3.892 -0.587 1.00 0.00 C ATOM 990 OG SER A 69 10.488 -5.244 -0.574 1.00 0.00 O ATOM 0 H SER A 69 11.356 -1.710 1.128 1.00 0.00 H new ATOM 0 HA SER A 69 9.047 -2.865 -0.317 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.950 -3.528 -1.614 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.926 -3.822 -0.188 1.00 0.00 H new ATOM 0 HG SER A 69 11.104 -5.786 -1.110 1.00 0.00 H new ATOM 996 N CYS A 70 8.371 -4.036 1.742 1.00 0.00 N ATOM 997 CA CYS A 70 7.922 -4.697 2.962 1.00 0.00 C ATOM 998 C CYS A 70 8.870 -5.829 3.347 1.00 0.00 C ATOM 999 O CYS A 70 9.337 -6.581 2.490 1.00 0.00 O ATOM 1000 CB CYS A 70 6.505 -5.245 2.777 1.00 0.00 C ATOM 1001 SG CYS A 70 5.388 -4.127 1.870 1.00 0.00 S ATOM 0 H CYS A 70 7.632 -3.862 1.060 1.00 0.00 H new ATOM 0 HA CYS A 70 7.918 -3.960 3.765 1.00 0.00 H new ATOM 0 HB2 CYS A 70 6.561 -6.195 2.246 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.076 -5.453 3.757 1.00 0.00 H new ATOM 1006 N HIS A 71 9.151 -5.944 4.641 1.00 0.00 N ATOM 1007 CA HIS A 71 10.042 -6.984 5.140 1.00 0.00 C ATOM 1008 C HIS A 71 9.781 -8.310 4.433 1.00 0.00 C ATOM 1009 O HIS A 71 10.693 -9.115 4.245 1.00 0.00 O ATOM 1010 CB HIS A 71 9.867 -7.155 6.649 1.00 0.00 C ATOM 1011 CG HIS A 71 10.712 -8.245 7.232 1.00 0.00 C ATOM 1012 ND1 HIS A 71 10.199 -9.459 7.639 1.00 0.00 N ATOM 1013 CD2 HIS A 71 12.042 -8.301 7.473 1.00 0.00 C ATOM 1014 CE1 HIS A 71 11.177 -10.214 8.107 1.00 0.00 C ATOM 1015 NE2 HIS A 71 12.307 -9.534 8.016 1.00 0.00 N ATOM 0 H HIS A 71 8.774 -5.329 5.363 1.00 0.00 H new ATOM 0 HA HIS A 71 11.067 -6.678 4.933 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.111 -6.215 7.143 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.819 -7.365 6.863 1.00 0.00 H new ATOM 0 HD2 HIS A 71 12.762 -7.521 7.275 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.071 -11.215 8.497 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.226 -9.871 8.303 1.00 0.00 H new ATOM 1023 N TYR A 72 8.530 -8.530 4.043 1.00 0.00 N ATOM 1024 CA TYR A 72 8.148 -9.760 3.360 1.00 0.00 C ATOM 1025 C TYR A 72 7.446 -9.454 2.040 1.00 0.00 C ATOM 1026 O TYR A 72 6.435 -10.070 1.703 1.00 0.00 O ATOM 1027 CB TYR A 72 7.234 -10.602 4.253 1.00 0.00 C ATOM 1028 CG TYR A 72 5.784 -10.179 4.205 1.00 0.00 C ATOM 1029 CD1 TYR A 72 5.364 -8.998 4.806 1.00 0.00 C ATOM 1030 CD2 TYR A 72 4.832 -10.959 3.559 1.00 0.00 C ATOM 1031 CE1 TYR A 72 4.039 -8.607 4.765 1.00 0.00 C ATOM 1032 CE2 TYR A 72 3.506 -10.576 3.513 1.00 0.00 C ATOM 1033 CZ TYR A 72 3.115 -9.400 4.117 1.00 0.00 C ATOM 1034 OH TYR A 72 1.794 -9.013 4.074 1.00 0.00 O ATOM 0 H TYR A 72 7.764 -7.873 4.188 1.00 0.00 H new ATOM 0 HA TYR A 72 9.056 -10.324 3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.309 -11.647 3.953 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.588 -10.540 5.282 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.086 -8.375 5.314 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.135 -11.881 3.085 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.729 -7.687 5.237 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.779 -11.194 3.007 1.00 0.00 H new ATOM 0 HH TYR A 72 1.219 -9.797 4.198 1.00 0.00 H new ATOM 1044 N CYS A 73 7.991 -8.497 1.297 1.00 0.00 N ATOM 1045 CA CYS A 73 7.419 -8.107 0.013 1.00 0.00 C ATOM 1046 C CYS A 73 7.992 -8.956 -1.118 1.00 0.00 C ATOM 1047 O CYS A 73 9.136 -9.409 -1.050 1.00 0.00 O ATOM 1048 CB CYS A 73 7.687 -6.625 -0.259 1.00 0.00 C ATOM 1049 SG CYS A 73 6.374 -5.794 -1.208 1.00 0.00 S ATOM 0 H CYS A 73 8.828 -7.977 1.561 1.00 0.00 H new ATOM 0 HA CYS A 73 6.342 -8.272 0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.815 -6.109 0.693 1.00 0.00 H new ATOM 0 HB3 CYS A 73 8.628 -6.531 -0.801 1.00 0.00 H new ATOM 1054 N ASP A 74 7.193 -9.165 -2.157 1.00 0.00 N ATOM 1055 CA ASP A 74 7.620 -9.958 -3.304 1.00 0.00 C ATOM 1056 C ASP A 74 8.889 -9.379 -3.922 1.00 0.00 C ATOM 1057 O ASP A 74 8.845 -8.371 -4.626 1.00 0.00 O ATOM 1058 CB ASP A 74 6.508 -10.017 -4.353 1.00 0.00 C ATOM 1059 CG ASP A 74 5.510 -11.124 -4.077 1.00 0.00 C ATOM 1060 OD1 ASP A 74 5.795 -12.284 -4.444 1.00 0.00 O ATOM 1061 OD2 ASP A 74 4.446 -10.832 -3.494 1.00 0.00 O ATOM 0 H ASP A 74 6.245 -8.796 -2.229 1.00 0.00 H new ATOM 0 HA ASP A 74 7.835 -10.969 -2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.987 -9.060 -4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.949 -10.167 -5.338 1.00 0.00 H new ATOM 1066 N ASN A 75 10.020 -10.023 -3.652 1.00 0.00 N ATOM 1067 CA ASN A 75 11.302 -9.571 -4.180 1.00 0.00 C ATOM 1068 C ASN A 75 12.158 -10.756 -4.619 1.00 0.00 C ATOM 1069 O ASN A 75 12.139 -11.814 -3.991 1.00 0.00 O ATOM 1070 CB ASN A 75 12.049 -8.750 -3.127 1.00 0.00 C ATOM 1071 CG ASN A 75 13.080 -7.823 -3.742 1.00 0.00 C ATOM 1072 OD1 ASN A 75 13.575 -8.069 -4.842 1.00 0.00 O ATOM 1073 ND2 ASN A 75 13.408 -6.749 -3.033 1.00 0.00 N ATOM 0 H ASN A 75 10.075 -10.859 -3.071 1.00 0.00 H new ATOM 0 HA ASN A 75 11.108 -8.944 -5.050 1.00 0.00 H new ATOM 0 HB2 ASN A 75 11.333 -8.163 -2.553 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.542 -9.424 -2.427 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.095 -6.089 -3.396 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.972 -6.584 -2.125 1.00 0.00 H new ATOM 1080 N ILE A 76 12.906 -10.568 -5.700 1.00 0.00 N ATOM 1081 CA ILE A 76 13.770 -11.620 -6.222 1.00 0.00 C ATOM 1082 C ILE A 76 15.183 -11.501 -5.659 1.00 0.00 C ATOM 1083 O ILE A 76 15.519 -10.518 -5.001 1.00 0.00 O ATOM 1084 CB ILE A 76 13.837 -11.584 -7.760 1.00 0.00 C ATOM 1085 CG1 ILE A 76 14.936 -10.625 -8.221 1.00 0.00 C ATOM 1086 CG2 ILE A 76 12.491 -11.173 -8.339 1.00 0.00 C ATOM 1087 CD1 ILE A 76 14.793 -9.226 -7.662 1.00 0.00 C ATOM 0 H ILE A 76 12.932 -9.698 -6.232 1.00 0.00 H new ATOM 0 HA ILE A 76 13.335 -12.569 -5.909 1.00 0.00 H new ATOM 0 HB ILE A 76 14.077 -12.584 -8.123 1.00 0.00 H new ATOM 0 HG12 ILE A 76 15.905 -11.028 -7.926 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.929 -10.575 -9.310 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.554 -11.152 -9.427 1.00 0.00 H new ATOM 0 HG22 ILE A 76 11.729 -11.890 -8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 76 12.224 -10.182 -7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 76 15.607 -8.602 -8.031 1.00 0.00 H new ATOM 0 HD12 ILE A 76 13.839 -8.804 -7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 76 14.830 -9.264 -6.573 1.00 0.00 H new ATOM 1099 N ASN A 77 16.006 -12.509 -5.927 1.00 0.00 N ATOM 1100 CA ASN A 77 17.385 -12.517 -5.449 1.00 0.00 C ATOM 1101 C ASN A 77 18.256 -11.586 -6.287 1.00 0.00 C ATOM 1102 O ASN A 77 18.674 -11.935 -7.391 1.00 0.00 O ATOM 1103 CB ASN A 77 17.953 -13.938 -5.488 1.00 0.00 C ATOM 1104 CG ASN A 77 19.107 -14.126 -4.523 1.00 0.00 C ATOM 1105 OD1 ASN A 77 20.032 -13.316 -4.480 1.00 0.00 O ATOM 1106 ND2 ASN A 77 19.056 -15.199 -3.742 1.00 0.00 N ATOM 0 H ASN A 77 15.743 -13.330 -6.472 1.00 0.00 H new ATOM 0 HA ASN A 77 17.388 -12.160 -4.419 1.00 0.00 H new ATOM 0 HB2 ASN A 77 17.163 -14.649 -5.248 1.00 0.00 H new ATOM 0 HB3 ASN A 77 18.289 -14.165 -6.500 1.00 0.00 H new ATOM 0 HD21 ASN A 77 19.804 -15.378 -3.072 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.269 -15.844 -3.812 1.00 0.00 H new ATOM 1113 N LEU A 78 18.528 -10.400 -5.753 1.00 0.00 N ATOM 1114 CA LEU A 78 19.351 -9.418 -6.451 1.00 0.00 C ATOM 1115 C LEU A 78 20.771 -9.405 -5.895 1.00 0.00 C ATOM 1116 O LEU A 78 21.070 -10.079 -4.909 1.00 0.00 O ATOM 1117 CB LEU A 78 18.730 -8.026 -6.329 1.00 0.00 C ATOM 1118 CG LEU A 78 18.754 -7.400 -4.933 1.00 0.00 C ATOM 1119 CD1 LEU A 78 18.748 -5.882 -5.028 1.00 0.00 C ATOM 1120 CD2 LEU A 78 17.572 -7.889 -4.109 1.00 0.00 C ATOM 0 H LEU A 78 18.191 -10.095 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 78 19.396 -9.698 -7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 78 19.250 -7.357 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 78 17.694 -8.082 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 78 19.672 -7.708 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 78 18.765 -5.455 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 78 19.627 -5.549 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 78 17.848 -5.553 -5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 78 17.605 -7.434 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 78 16.642 -7.611 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 78 17.621 -8.974 -4.011 1.00 0.00 H new ATOM 1132 N LEU A 79 21.643 -8.633 -6.534 1.00 0.00 N ATOM 1133 CA LEU A 79 23.033 -8.530 -6.103 1.00 0.00 C ATOM 1134 C LEU A 79 23.129 -7.877 -4.727 1.00 0.00 C ATOM 1135 O LEU A 79 22.699 -6.740 -4.536 1.00 0.00 O ATOM 1136 CB LEU A 79 23.845 -7.725 -7.120 1.00 0.00 C ATOM 1137 CG LEU A 79 24.024 -8.368 -8.495 1.00 0.00 C ATOM 1138 CD1 LEU A 79 22.805 -8.112 -9.368 1.00 0.00 C ATOM 1139 CD2 LEU A 79 25.284 -7.843 -9.168 1.00 0.00 C ATOM 0 H LEU A 79 21.412 -8.069 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 79 23.443 -9.538 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.364 -6.756 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.832 -7.535 -6.698 1.00 0.00 H new ATOM 0 HG LEU A 79 24.128 -9.445 -8.361 1.00 0.00 H new ATOM 0 HD11 LEU A 79 22.951 -8.577 -10.343 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.921 -8.537 -8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 79 22.668 -7.038 -9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 79 25.396 -8.311 -10.146 1.00 0.00 H new ATOM 0 HD22 LEU A 79 25.208 -6.762 -9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 79 26.151 -8.079 -8.551 1.00 0.00 H new ATOM 1151 N LEU A 80 23.698 -8.605 -3.773 1.00 0.00 N ATOM 1152 CA LEU A 80 23.854 -8.097 -2.414 1.00 0.00 C ATOM 1153 C LEU A 80 25.253 -8.390 -1.880 1.00 0.00 C ATOM 1154 O LEU A 80 25.885 -9.372 -2.269 1.00 0.00 O ATOM 1155 CB LEU A 80 22.804 -8.718 -1.493 1.00 0.00 C ATOM 1156 CG LEU A 80 23.003 -10.193 -1.146 1.00 0.00 C ATOM 1157 CD1 LEU A 80 24.026 -10.347 -0.030 1.00 0.00 C ATOM 1158 CD2 LEU A 80 21.680 -10.832 -0.750 1.00 0.00 C ATOM 0 H LEU A 80 24.059 -9.548 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 80 23.714 -7.016 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 80 22.781 -8.147 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 80 21.826 -8.604 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 80 23.381 -10.705 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 80 24.154 -11.404 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 80 24.980 -9.928 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 80 23.678 -9.819 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.842 -11.882 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.273 -10.316 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.977 -10.756 -1.579 1.00 0.00 H new ATOM 1170 N THR A 81 25.730 -7.531 -0.984 1.00 0.00 N ATOM 1171 CA THR A 81 27.054 -7.697 -0.395 1.00 0.00 C ATOM 1172 C THR A 81 26.965 -8.353 0.978 1.00 0.00 C ATOM 1173 O THR A 81 25.979 -8.184 1.694 1.00 0.00 O ATOM 1174 CB THR A 81 27.783 -6.348 -0.262 1.00 0.00 C ATOM 1175 OG1 THR A 81 27.836 -5.691 -1.533 1.00 0.00 O ATOM 1176 CG2 THR A 81 29.194 -6.546 0.272 1.00 0.00 C ATOM 0 H THR A 81 25.219 -6.713 -0.650 1.00 0.00 H new ATOM 0 HA THR A 81 27.621 -8.342 -1.067 1.00 0.00 H new ATOM 0 HB THR A 81 27.228 -5.729 0.443 1.00 0.00 H new ATOM 0 HG1 THR A 81 28.300 -4.833 -1.439 1.00 0.00 H new ATOM 0 HG21 THR A 81 29.690 -5.579 0.358 1.00 0.00 H new ATOM 0 HG22 THR A 81 29.149 -7.019 1.253 1.00 0.00 H new ATOM 0 HG23 THR A 81 29.756 -7.182 -0.412 1.00 0.00 H new ATOM 1184 N GLU A 82 28.003 -9.102 1.339 1.00 0.00 N ATOM 1185 CA GLU A 82 28.041 -9.783 2.628 1.00 0.00 C ATOM 1186 C GLU A 82 28.454 -8.821 3.739 1.00 0.00 C ATOM 1187 O GLU A 82 29.641 -8.645 4.012 1.00 0.00 O ATOM 1188 CB GLU A 82 29.010 -10.966 2.576 1.00 0.00 C ATOM 1189 CG GLU A 82 28.357 -12.268 2.146 1.00 0.00 C ATOM 1190 CD GLU A 82 29.284 -13.460 2.287 1.00 0.00 C ATOM 1191 OE1 GLU A 82 30.492 -13.309 2.010 1.00 0.00 O ATOM 1192 OE2 GLU A 82 28.801 -14.544 2.677 1.00 0.00 O ATOM 0 H GLU A 82 28.828 -9.252 0.758 1.00 0.00 H new ATOM 0 HA GLU A 82 27.039 -10.153 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 82 29.821 -10.731 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 82 29.458 -11.102 3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 82 27.462 -12.436 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 82 28.035 -12.183 1.108 1.00 0.00 H new ATOM 1199 N GLU A 83 27.465 -8.202 4.376 1.00 0.00 N ATOM 1200 CA GLU A 83 27.726 -7.258 5.457 1.00 0.00 C ATOM 1201 C GLU A 83 26.714 -7.431 6.587 1.00 0.00 C ATOM 1202 O GLU A 83 25.718 -8.139 6.439 1.00 0.00 O ATOM 1203 CB GLU A 83 27.678 -5.822 4.931 1.00 0.00 C ATOM 1204 CG GLU A 83 26.298 -5.388 4.468 1.00 0.00 C ATOM 1205 CD GLU A 83 26.084 -3.891 4.591 1.00 0.00 C ATOM 1206 OE1 GLU A 83 26.819 -3.132 3.925 1.00 0.00 O ATOM 1207 OE2 GLU A 83 25.184 -3.481 5.353 1.00 0.00 O ATOM 0 H GLU A 83 26.477 -8.337 4.163 1.00 0.00 H new ATOM 0 HA GLU A 83 28.722 -7.461 5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 83 28.018 -5.146 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 83 28.378 -5.725 4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 83 26.157 -5.687 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 83 25.542 -5.909 5.055 1.00 0.00 H new ATOM 1214 N SER A 84 26.979 -6.781 7.714 1.00 0.00 N ATOM 1215 CA SER A 84 26.096 -6.865 8.872 1.00 0.00 C ATOM 1216 C SER A 84 24.633 -6.892 8.437 1.00 0.00 C ATOM 1217 O SER A 84 24.239 -6.197 7.502 1.00 0.00 O ATOM 1218 CB SER A 84 26.338 -5.684 9.812 1.00 0.00 C ATOM 1219 OG SER A 84 27.589 -5.803 10.468 1.00 0.00 O ATOM 0 H SER A 84 27.799 -6.190 7.851 1.00 0.00 H new ATOM 0 HA SER A 84 26.318 -7.792 9.401 1.00 0.00 H new ATOM 0 HB2 SER A 84 26.307 -4.753 9.246 1.00 0.00 H new ATOM 0 HB3 SER A 84 25.539 -5.634 10.552 1.00 0.00 H new ATOM 0 HG SER A 84 27.721 -5.035 11.062 1.00 0.00 H new ATOM 1225 N GLY A 85 23.833 -7.700 9.125 1.00 0.00 N ATOM 1226 CA GLY A 85 22.423 -7.804 8.797 1.00 0.00 C ATOM 1227 C GLY A 85 21.887 -9.210 8.978 1.00 0.00 C ATOM 1228 O GLY A 85 21.933 -10.036 8.066 1.00 0.00 O ATOM 0 H GLY A 85 24.136 -8.285 9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 85 21.855 -7.118 9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 85 22.269 -7.490 7.765 1.00 0.00 H new ATOM 1232 N PRO A 86 21.367 -9.500 10.179 1.00 0.00 N ATOM 1233 CA PRO A 86 20.812 -10.817 10.505 1.00 0.00 C ATOM 1234 C PRO A 86 19.508 -11.096 9.765 1.00 0.00 C ATOM 1235 O PRO A 86 18.803 -10.171 9.362 1.00 0.00 O ATOM 1236 CB PRO A 86 20.564 -10.734 12.014 1.00 0.00 C ATOM 1237 CG PRO A 86 20.390 -9.281 12.289 1.00 0.00 C ATOM 1238 CD PRO A 86 21.281 -8.564 11.313 1.00 0.00 C ATOM 0 HA PRO A 86 21.482 -11.625 10.213 1.00 0.00 H new ATOM 0 HB2 PRO A 86 19.678 -11.300 12.301 1.00 0.00 H new ATOM 0 HB3 PRO A 86 21.402 -11.146 12.576 1.00 0.00 H new ATOM 0 HG2 PRO A 86 19.350 -8.982 12.160 1.00 0.00 H new ATOM 0 HG3 PRO A 86 20.665 -9.043 13.316 1.00 0.00 H new ATOM 0 HD2 PRO A 86 20.858 -7.606 11.012 1.00 0.00 H new ATOM 0 HD3 PRO A 86 22.263 -8.359 11.740 1.00 0.00 H new ATOM 1246 N SER A 87 19.195 -12.376 9.590 1.00 0.00 N ATOM 1247 CA SER A 87 17.977 -12.776 8.895 1.00 0.00 C ATOM 1248 C SER A 87 16.809 -12.897 9.869 1.00 0.00 C ATOM 1249 O SER A 87 16.982 -12.758 11.081 1.00 0.00 O ATOM 1250 CB SER A 87 18.192 -14.107 8.171 1.00 0.00 C ATOM 1251 OG SER A 87 18.571 -15.126 9.080 1.00 0.00 O ATOM 0 H SER A 87 19.767 -13.153 9.920 1.00 0.00 H new ATOM 0 HA SER A 87 17.737 -12.006 8.162 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.276 -14.397 7.656 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.963 -13.990 7.409 1.00 0.00 H new ATOM 0 HG SER A 87 18.701 -15.967 8.593 1.00 0.00 H new ATOM 1257 N SER A 88 15.623 -13.154 9.331 1.00 0.00 N ATOM 1258 CA SER A 88 14.424 -13.290 10.152 1.00 0.00 C ATOM 1259 C SER A 88 13.885 -14.716 10.094 1.00 0.00 C ATOM 1260 O SER A 88 13.510 -15.207 9.030 1.00 0.00 O ATOM 1261 CB SER A 88 13.349 -12.306 9.688 1.00 0.00 C ATOM 1262 OG SER A 88 12.098 -12.600 10.286 1.00 0.00 O ATOM 0 H SER A 88 15.465 -13.273 8.330 1.00 0.00 H new ATOM 0 HA SER A 88 14.692 -13.064 11.184 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.648 -11.289 9.943 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.256 -12.349 8.603 1.00 0.00 H new ATOM 0 HG SER A 88 11.582 -11.773 10.389 1.00 0.00 H new ATOM 1268 N GLY A 89 13.847 -15.376 11.248 1.00 0.00 N ATOM 1269 CA GLY A 89 13.352 -16.739 11.308 1.00 0.00 C ATOM 1270 C GLY A 89 11.882 -16.837 10.954 1.00 0.00 C ATOM 1271 O GLY A 89 11.382 -17.947 10.777 1.00 0.00 O ATOM 0 H GLY A 89 14.150 -14.991 12.142 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.929 -17.362 10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.508 -17.135 12.311 1.00 0.00 H new TER 1275 GLY A 89 HETATM 1276 ZN ZN A 201 -4.486 2.989 7.531 1.00 0.00 ZN HETATM 1277 ZN ZN A 401 4.499 -5.111 -0.044 1.00 0.00 ZN