USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 780 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 93 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 95 HIS : no HD1:sc= -0.0579 K(o=-0.054,f=-2.3!) USER MOD Set 1.3: A 97 LYS NZ :NH3+ -128:sc= 0.00392 (180deg=0) USER MOD Set 2.1: A 38 GLN : amide:sc= 0.963 K(o=0.81,f=-0.25) USER MOD Set 2.2: A 77 MET CE :methyl -144:sc= -0.15 (180deg=-2.15!) USER MOD Set 3.1: A 57 GLN : amide:sc=-0.00946 X(o=-0.0095,f=0.0035) USER MOD Set 3.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0808 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.117 USER MOD Single : A 6 SER OG : rot 180:sc= 0.53 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 1.34 K(o=1.3,f=-0.25) USER MOD Single : A 14 GLN : amide:sc= 0.727 K(o=0.73,f=-0.76) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -149:sc= 1.33 (180deg=1.08) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.924 K(o=0.92,f=-0.19) USER MOD Single : A 45 THR OG1 : rot -180:sc= 0.05 USER MOD Single : A 46 HIS : no HD1:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 47 MET CE :methyl 167:sc= -0.0384 (180deg=-0.333) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= 2.4 (180deg=1.62) USER MOD Single : A 53 THR OG1 : rot -57:sc= 0.739 USER MOD Single : A 55 GLN : amide:sc= 0.797 K(o=0.8,f=-0.0087) USER MOD Single : A 56 HIS : no HD1:sc= 1.26 K(o=1.3,f=-7.3!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 1.13 (180deg=1.13) USER MOD Single : A 90 ASN : amide:sc= 0.78 K(o=0.78,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 159:sc= 1.85 (180deg=1.12) USER MOD Single : A 96 ASN : amide:sc=-0.00841 K(o=-0.0084,f=-1.1) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.952 11.335 18.668 1.00 0.00 N ATOM 2 CA GLY A 1 10.247 10.122 19.464 1.00 0.00 C ATOM 3 C GLY A 1 9.059 9.171 19.520 1.00 0.00 C ATOM 4 O GLY A 1 7.947 9.521 19.116 1.00 0.00 O ATOM 0 H1 GLY A 1 10.558 11.352 17.823 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.953 11.325 18.378 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.137 12.181 19.243 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.104 9.605 19.033 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.526 10.413 20.477 1.00 0.00 H new ATOM 10 N SER A 2 9.285 7.954 20.024 1.00 0.00 N ATOM 11 CA SER A 2 8.264 6.904 20.200 1.00 0.00 C ATOM 12 C SER A 2 8.569 6.009 21.409 1.00 0.00 C ATOM 13 O SER A 2 9.733 5.817 21.779 1.00 0.00 O ATOM 14 CB SER A 2 8.181 6.047 18.928 1.00 0.00 C ATOM 15 OG SER A 2 7.173 5.053 19.052 1.00 0.00 O ATOM 0 H SER A 2 10.211 7.658 20.332 1.00 0.00 H new ATOM 0 HA SER A 2 7.308 7.394 20.383 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.967 6.683 18.069 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.144 5.573 18.741 1.00 0.00 H new ATOM 0 HG SER A 2 7.136 4.520 18.230 1.00 0.00 H new ATOM 21 N SER A 3 7.527 5.430 22.009 1.00 0.00 N ATOM 22 CA SER A 3 7.628 4.398 23.053 1.00 0.00 C ATOM 23 C SER A 3 8.006 3.014 22.501 1.00 0.00 C ATOM 24 O SER A 3 8.532 2.176 23.237 1.00 0.00 O ATOM 25 CB SER A 3 6.287 4.293 23.788 1.00 0.00 C ATOM 26 OG SER A 3 5.245 3.987 22.870 1.00 0.00 O ATOM 0 H SER A 3 6.563 5.669 21.779 1.00 0.00 H new ATOM 0 HA SER A 3 8.427 4.704 23.728 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.344 3.520 24.555 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.069 5.232 24.297 1.00 0.00 H new ATOM 0 HG SER A 3 4.394 3.921 23.351 1.00 0.00 H new ATOM 32 N GLY A 4 7.739 2.758 21.212 1.00 0.00 N ATOM 33 CA GLY A 4 7.940 1.459 20.556 1.00 0.00 C ATOM 34 C GLY A 4 6.980 0.344 21.009 1.00 0.00 C ATOM 35 O GLY A 4 7.167 -0.813 20.624 1.00 0.00 O ATOM 0 H GLY A 4 7.367 3.468 20.581 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.835 1.593 19.479 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.964 1.132 20.738 1.00 0.00 H new ATOM 39 N SER A 5 5.965 0.660 21.825 1.00 0.00 N ATOM 40 CA SER A 5 5.052 -0.318 22.438 1.00 0.00 C ATOM 41 C SER A 5 4.338 -1.191 21.399 1.00 0.00 C ATOM 42 O SER A 5 3.712 -0.682 20.465 1.00 0.00 O ATOM 43 CB SER A 5 4.007 0.393 23.305 1.00 0.00 C ATOM 44 OG SER A 5 4.642 1.042 24.398 1.00 0.00 O ATOM 0 H SER A 5 5.750 1.623 22.084 1.00 0.00 H new ATOM 0 HA SER A 5 5.668 -0.972 23.056 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.461 1.122 22.706 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.277 -0.328 23.674 1.00 0.00 H new ATOM 0 HG SER A 5 3.968 1.495 24.946 1.00 0.00 H new ATOM 50 N SER A 6 4.432 -2.515 21.573 1.00 0.00 N ATOM 51 CA SER A 6 3.848 -3.549 20.694 1.00 0.00 C ATOM 52 C SER A 6 4.329 -3.516 19.226 1.00 0.00 C ATOM 53 O SER A 6 3.725 -4.160 18.365 1.00 0.00 O ATOM 54 CB SER A 6 2.312 -3.546 20.794 1.00 0.00 C ATOM 55 OG SER A 6 1.880 -3.520 22.148 1.00 0.00 O ATOM 0 H SER A 6 4.938 -2.917 22.362 1.00 0.00 H new ATOM 0 HA SER A 6 4.230 -4.497 21.074 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.913 -2.679 20.267 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.912 -4.431 20.300 1.00 0.00 H new ATOM 0 HG SER A 6 0.900 -3.517 22.179 1.00 0.00 H new ATOM 61 N GLY A 7 5.402 -2.778 18.915 1.00 0.00 N ATOM 62 CA GLY A 7 5.918 -2.606 17.550 1.00 0.00 C ATOM 63 C GLY A 7 6.621 -3.863 16.997 1.00 0.00 C ATOM 64 O GLY A 7 7.426 -4.465 17.716 1.00 0.00 O ATOM 0 H GLY A 7 5.946 -2.275 19.616 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.093 -2.340 16.889 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.619 -1.772 17.537 1.00 0.00 H new ATOM 68 N PRO A 8 6.367 -4.269 15.735 1.00 0.00 N ATOM 69 CA PRO A 8 6.949 -5.479 15.143 1.00 0.00 C ATOM 70 C PRO A 8 8.405 -5.312 14.666 1.00 0.00 C ATOM 71 O PRO A 8 9.132 -6.304 14.573 1.00 0.00 O ATOM 72 CB PRO A 8 6.013 -5.821 13.982 1.00 0.00 C ATOM 73 CG PRO A 8 5.500 -4.461 13.517 1.00 0.00 C ATOM 74 CD PRO A 8 5.382 -3.690 14.830 1.00 0.00 C ATOM 0 HA PRO A 8 7.020 -6.273 15.887 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.540 -6.344 13.184 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.197 -6.468 14.303 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.191 -3.981 12.824 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.541 -4.542 13.005 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.573 -2.628 14.676 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.377 -3.777 15.243 1.00 0.00 H new ATOM 82 N ILE A 9 8.846 -4.082 14.365 1.00 0.00 N ATOM 83 CA ILE A 9 10.211 -3.749 13.918 1.00 0.00 C ATOM 84 C ILE A 9 10.625 -2.342 14.382 1.00 0.00 C ATOM 85 O ILE A 9 9.801 -1.428 14.446 1.00 0.00 O ATOM 86 CB ILE A 9 10.342 -3.926 12.381 1.00 0.00 C ATOM 87 CG1 ILE A 9 11.759 -3.724 11.804 1.00 0.00 C ATOM 88 CG2 ILE A 9 9.370 -3.036 11.585 1.00 0.00 C ATOM 89 CD1 ILE A 9 12.811 -4.664 12.405 1.00 0.00 C ATOM 0 H ILE A 9 8.243 -3.262 14.427 1.00 0.00 H new ATOM 0 HA ILE A 9 10.906 -4.447 14.385 1.00 0.00 H new ATOM 0 HB ILE A 9 10.083 -4.977 12.255 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.726 -3.873 10.725 1.00 0.00 H new ATOM 0 HG13 ILE A 9 12.067 -2.692 11.974 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.511 -3.207 10.518 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.344 -3.282 11.859 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.565 -1.988 11.814 1.00 0.00 H new ATOM 0 HD11 ILE A 9 13.781 -4.463 11.950 1.00 0.00 H new ATOM 0 HD12 ILE A 9 12.873 -4.500 13.481 1.00 0.00 H new ATOM 0 HD13 ILE A 9 12.527 -5.699 12.212 1.00 0.00 H new ATOM 101 N SER A 10 11.912 -2.174 14.698 1.00 0.00 N ATOM 102 CA SER A 10 12.536 -0.907 15.116 1.00 0.00 C ATOM 103 C SER A 10 13.530 -0.332 14.091 1.00 0.00 C ATOM 104 O SER A 10 13.979 0.806 14.246 1.00 0.00 O ATOM 105 CB SER A 10 13.229 -1.116 16.468 1.00 0.00 C ATOM 106 OG SER A 10 14.188 -2.163 16.379 1.00 0.00 O ATOM 0 H SER A 10 12.578 -2.946 14.670 1.00 0.00 H new ATOM 0 HA SER A 10 11.738 -0.169 15.197 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.718 -0.193 16.780 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.488 -1.357 17.230 1.00 0.00 H new ATOM 0 HG SER A 10 14.623 -2.283 17.249 1.00 0.00 H new ATOM 112 N GLU A 11 13.878 -1.081 13.036 1.00 0.00 N ATOM 113 CA GLU A 11 14.924 -0.686 12.070 1.00 0.00 C ATOM 114 C GLU A 11 14.408 0.195 10.913 1.00 0.00 C ATOM 115 O GLU A 11 15.184 0.942 10.312 1.00 0.00 O ATOM 116 CB GLU A 11 15.635 -1.932 11.516 1.00 0.00 C ATOM 117 CG GLU A 11 16.368 -2.729 12.606 1.00 0.00 C ATOM 118 CD GLU A 11 17.244 -3.837 11.990 1.00 0.00 C ATOM 119 OE1 GLU A 11 18.433 -3.573 11.680 1.00 0.00 O ATOM 120 OE2 GLU A 11 16.760 -4.982 11.818 1.00 0.00 O ATOM 0 H GLU A 11 13.444 -1.980 12.824 1.00 0.00 H new ATOM 0 HA GLU A 11 15.630 -0.069 12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.903 -2.577 11.030 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.350 -1.628 10.751 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.990 -2.056 13.197 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.642 -3.172 13.287 1.00 0.00 H new ATOM 127 N ARG A 12 13.104 0.128 10.616 1.00 0.00 N ATOM 128 CA ARG A 12 12.391 0.897 9.575 1.00 0.00 C ATOM 129 C ARG A 12 10.991 1.280 10.055 1.00 0.00 C ATOM 130 O ARG A 12 10.379 0.559 10.842 1.00 0.00 O ATOM 131 CB ARG A 12 12.305 0.067 8.271 1.00 0.00 C ATOM 132 CG ARG A 12 13.463 0.333 7.293 1.00 0.00 C ATOM 133 CD ARG A 12 13.273 1.622 6.475 1.00 0.00 C ATOM 134 NE ARG A 12 12.275 1.442 5.397 1.00 0.00 N ATOM 135 CZ ARG A 12 11.516 2.366 4.830 1.00 0.00 C ATOM 136 NH1 ARG A 12 11.497 3.605 5.217 1.00 0.00 N ATOM 137 NH2 ARG A 12 10.737 2.059 3.835 1.00 0.00 N ATOM 0 H ARG A 12 12.478 -0.499 11.122 1.00 0.00 H new ATOM 0 HA ARG A 12 12.947 1.813 9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.292 -0.993 8.525 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.361 0.287 7.772 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.396 0.398 7.852 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.558 -0.513 6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.955 2.429 7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.227 1.922 6.042 1.00 0.00 H new ATOM 0 HE ARG A 12 12.158 0.490 5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.086 3.906 5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.893 4.278 4.745 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.708 1.101 3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.155 2.776 3.403 1.00 0.00 H new ATOM 151 N ASN A 13 10.447 2.366 9.508 1.00 0.00 N ATOM 152 CA ASN A 13 9.074 2.845 9.734 1.00 0.00 C ATOM 153 C ASN A 13 8.006 2.012 8.983 1.00 0.00 C ATOM 154 O ASN A 13 7.081 2.559 8.382 1.00 0.00 O ATOM 155 CB ASN A 13 9.022 4.361 9.439 1.00 0.00 C ATOM 156 CG ASN A 13 9.464 4.729 8.030 1.00 0.00 C ATOM 157 OD1 ASN A 13 10.599 5.124 7.800 1.00 0.00 O ATOM 158 ND2 ASN A 13 8.612 4.573 7.047 1.00 0.00 N ATOM 0 H ASN A 13 10.968 2.965 8.868 1.00 0.00 H new ATOM 0 HA ASN A 13 8.809 2.696 10.781 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.004 4.717 9.595 1.00 0.00 H new ATOM 0 HB3 ASN A 13 9.655 4.883 10.156 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.895 4.781 6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.666 4.244 7.239 1.00 0.00 H new ATOM 165 N GLN A 14 8.131 0.682 8.995 1.00 0.00 N ATOM 166 CA GLN A 14 7.336 -0.245 8.174 1.00 0.00 C ATOM 167 C GLN A 14 5.843 -0.287 8.568 1.00 0.00 C ATOM 168 O GLN A 14 5.010 -0.704 7.770 1.00 0.00 O ATOM 169 CB GLN A 14 8.022 -1.623 8.220 1.00 0.00 C ATOM 170 CG GLN A 14 7.601 -2.575 7.085 1.00 0.00 C ATOM 171 CD GLN A 14 8.506 -3.809 6.969 1.00 0.00 C ATOM 172 OE1 GLN A 14 9.682 -3.805 7.312 1.00 0.00 O ATOM 173 NE2 GLN A 14 8.014 -4.922 6.467 1.00 0.00 N ATOM 0 H GLN A 14 8.806 0.204 9.592 1.00 0.00 H new ATOM 0 HA GLN A 14 7.313 0.112 7.144 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.102 -1.481 8.178 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.800 -2.095 9.177 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.574 -2.899 7.253 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.614 -2.032 6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.039 -4.961 6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.608 -5.746 6.374 1.00 0.00 H new ATOM 182 N ASP A 15 5.480 0.214 9.753 1.00 0.00 N ATOM 183 CA ASP A 15 4.088 0.446 10.171 1.00 0.00 C ATOM 184 C ASP A 15 3.436 1.649 9.457 1.00 0.00 C ATOM 185 O ASP A 15 2.211 1.714 9.345 1.00 0.00 O ATOM 186 CB ASP A 15 4.044 0.676 11.687 1.00 0.00 C ATOM 187 CG ASP A 15 4.457 -0.571 12.481 1.00 0.00 C ATOM 188 OD1 ASP A 15 3.567 -1.386 12.817 1.00 0.00 O ATOM 189 OD2 ASP A 15 5.667 -0.722 12.774 1.00 0.00 O ATOM 0 H ASP A 15 6.159 0.477 10.467 1.00 0.00 H new ATOM 0 HA ASP A 15 3.519 -0.441 9.893 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.705 1.503 11.945 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.036 0.971 11.978 1.00 0.00 H new ATOM 194 N ALA A 16 4.232 2.596 8.952 1.00 0.00 N ATOM 195 CA ALA A 16 3.771 3.679 8.081 1.00 0.00 C ATOM 196 C ALA A 16 3.754 3.269 6.592 1.00 0.00 C ATOM 197 O ALA A 16 3.304 4.038 5.744 1.00 0.00 O ATOM 198 CB ALA A 16 4.612 4.930 8.355 1.00 0.00 C ATOM 0 H ALA A 16 5.234 2.631 9.141 1.00 0.00 H new ATOM 0 HA ALA A 16 2.731 3.909 8.313 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.276 5.743 7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.498 5.224 9.399 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.661 4.715 8.151 1.00 0.00 H new ATOM 204 N THR A 17 4.195 2.053 6.261 1.00 0.00 N ATOM 205 CA THR A 17 4.067 1.454 4.925 1.00 0.00 C ATOM 206 C THR A 17 2.886 0.479 4.909 1.00 0.00 C ATOM 207 O THR A 17 2.641 -0.238 5.880 1.00 0.00 O ATOM 208 CB THR A 17 5.387 0.796 4.473 1.00 0.00 C ATOM 209 OG1 THR A 17 6.462 1.694 4.651 1.00 0.00 O ATOM 210 CG2 THR A 17 5.422 0.403 2.992 1.00 0.00 C ATOM 0 H THR A 17 4.663 1.440 6.929 1.00 0.00 H new ATOM 0 HA THR A 17 3.861 2.240 4.199 1.00 0.00 H new ATOM 0 HB THR A 17 5.467 -0.103 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.296 1.267 4.363 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.385 -0.052 2.759 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.624 -0.310 2.786 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.282 1.292 2.376 1.00 0.00 H new ATOM 218 N VAL A 18 2.144 0.427 3.802 1.00 0.00 N ATOM 219 CA VAL A 18 1.094 -0.572 3.538 1.00 0.00 C ATOM 220 C VAL A 18 1.532 -1.524 2.430 1.00 0.00 C ATOM 221 O VAL A 18 2.259 -1.127 1.523 1.00 0.00 O ATOM 222 CB VAL A 18 -0.278 0.061 3.218 1.00 0.00 C ATOM 223 CG1 VAL A 18 -0.715 1.008 4.336 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.316 0.853 1.909 1.00 0.00 C ATOM 0 H VAL A 18 2.256 1.095 3.040 1.00 0.00 H new ATOM 0 HA VAL A 18 0.958 -1.138 4.459 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.953 -0.789 3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.684 1.441 4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.794 0.454 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.021 1.804 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.315 1.263 1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.407 1.667 1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.068 0.194 1.077 1.00 0.00 H new ATOM 234 N TYR A 19 1.079 -2.771 2.503 1.00 0.00 N ATOM 235 CA TYR A 19 1.182 -3.787 1.454 1.00 0.00 C ATOM 236 C TYR A 19 -0.116 -3.808 0.638 1.00 0.00 C ATOM 237 O TYR A 19 -1.203 -3.660 1.200 1.00 0.00 O ATOM 238 CB TYR A 19 1.451 -5.148 2.109 1.00 0.00 C ATOM 239 CG TYR A 19 1.206 -6.356 1.218 1.00 0.00 C ATOM 240 CD1 TYR A 19 2.236 -6.865 0.403 1.00 0.00 C ATOM 241 CD2 TYR A 19 -0.061 -6.974 1.209 1.00 0.00 C ATOM 242 CE1 TYR A 19 2.008 -8.002 -0.394 1.00 0.00 C ATOM 243 CE2 TYR A 19 -0.296 -8.107 0.405 1.00 0.00 C ATOM 244 CZ TYR A 19 0.744 -8.628 -0.397 1.00 0.00 C ATOM 245 OH TYR A 19 0.538 -9.732 -1.166 1.00 0.00 O ATOM 0 H TYR A 19 0.606 -3.121 3.336 1.00 0.00 H new ATOM 0 HA TYR A 19 2.004 -3.558 0.776 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.486 -5.171 2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.823 -5.237 2.995 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.202 -6.382 0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.856 -6.577 1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.805 -8.397 -1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.269 -8.576 0.402 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.385 -10.041 -1.053 1.00 0.00 H new ATOM 255 N VAL A 20 -0.004 -4.024 -0.674 1.00 0.00 N ATOM 256 CA VAL A 20 -1.119 -4.129 -1.624 1.00 0.00 C ATOM 257 C VAL A 20 -0.913 -5.363 -2.502 1.00 0.00 C ATOM 258 O VAL A 20 -0.057 -5.364 -3.386 1.00 0.00 O ATOM 259 CB VAL A 20 -1.234 -2.863 -2.501 1.00 0.00 C ATOM 260 CG1 VAL A 20 -2.518 -2.927 -3.341 1.00 0.00 C ATOM 261 CG2 VAL A 20 -1.255 -1.563 -1.686 1.00 0.00 C ATOM 0 H VAL A 20 0.904 -4.136 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.048 -4.224 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.346 -2.847 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.594 -2.032 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.490 -3.808 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.383 -2.987 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.337 -0.711 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.109 -1.572 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.334 -1.481 -1.109 1.00 0.00 H new ATOM 271 N GLY A 21 -1.691 -6.421 -2.274 1.00 0.00 N ATOM 272 CA GLY A 21 -1.664 -7.652 -3.068 1.00 0.00 C ATOM 273 C GLY A 21 -2.814 -7.726 -4.075 1.00 0.00 C ATOM 274 O GLY A 21 -3.919 -7.270 -3.788 1.00 0.00 O ATOM 0 H GLY A 21 -2.373 -6.448 -1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.715 -7.716 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.714 -8.512 -2.400 1.00 0.00 H new ATOM 278 N GLY A 22 -2.563 -8.330 -5.238 1.00 0.00 N ATOM 279 CA GLY A 22 -3.577 -8.606 -6.270 1.00 0.00 C ATOM 280 C GLY A 22 -3.628 -7.558 -7.388 1.00 0.00 C ATOM 281 O GLY A 22 -4.699 -7.256 -7.909 1.00 0.00 O ATOM 0 H GLY A 22 -1.630 -8.650 -5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.376 -9.583 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.557 -8.665 -5.796 1.00 0.00 H new ATOM 285 N LEU A 23 -2.476 -6.981 -7.741 1.00 0.00 N ATOM 286 CA LEU A 23 -2.338 -5.891 -8.702 1.00 0.00 C ATOM 287 C LEU A 23 -2.504 -6.390 -10.141 1.00 0.00 C ATOM 288 O LEU A 23 -2.181 -7.539 -10.461 1.00 0.00 O ATOM 289 CB LEU A 23 -0.967 -5.216 -8.518 1.00 0.00 C ATOM 290 CG LEU A 23 -0.728 -4.576 -7.139 1.00 0.00 C ATOM 291 CD1 LEU A 23 0.652 -3.930 -7.121 1.00 0.00 C ATOM 292 CD2 LEU A 23 -1.772 -3.512 -6.808 1.00 0.00 C ATOM 0 H LEU A 23 -1.581 -7.274 -7.348 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.128 -5.163 -8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.189 -5.958 -8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.854 -4.447 -9.282 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.803 -5.366 -6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.828 -3.474 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.411 -4.689 -7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.705 -3.164 -7.894 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.562 -3.089 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.737 -2.722 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.764 -3.964 -6.804 1.00 0.00 H new ATOM 304 N ASP A 24 -2.980 -5.515 -11.020 1.00 0.00 N ATOM 305 CA ASP A 24 -3.115 -5.785 -12.451 1.00 0.00 C ATOM 306 C ASP A 24 -1.850 -5.381 -13.236 1.00 0.00 C ATOM 307 O ASP A 24 -1.080 -4.526 -12.798 1.00 0.00 O ATOM 308 CB ASP A 24 -4.377 -5.072 -12.962 1.00 0.00 C ATOM 309 CG ASP A 24 -4.616 -5.314 -14.455 1.00 0.00 C ATOM 310 OD1 ASP A 24 -5.211 -6.354 -14.817 1.00 0.00 O ATOM 311 OD2 ASP A 24 -4.180 -4.470 -15.270 1.00 0.00 O ATOM 0 H ASP A 24 -3.289 -4.580 -10.755 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.222 -6.858 -12.613 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.242 -5.419 -12.397 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.286 -4.001 -12.780 1.00 0.00 H new ATOM 316 N GLU A 25 -1.625 -5.958 -14.420 1.00 0.00 N ATOM 317 CA GLU A 25 -0.463 -5.652 -15.274 1.00 0.00 C ATOM 318 C GLU A 25 -0.348 -4.170 -15.703 1.00 0.00 C ATOM 319 O GLU A 25 0.748 -3.718 -16.042 1.00 0.00 O ATOM 320 CB GLU A 25 -0.454 -6.588 -16.496 1.00 0.00 C ATOM 321 CG GLU A 25 -1.635 -6.386 -17.457 1.00 0.00 C ATOM 322 CD GLU A 25 -1.547 -7.364 -18.646 1.00 0.00 C ATOM 323 OE1 GLU A 25 -2.063 -8.504 -18.541 1.00 0.00 O ATOM 324 OE2 GLU A 25 -0.966 -6.999 -19.697 1.00 0.00 O ATOM 0 H GLU A 25 -2.248 -6.659 -14.821 1.00 0.00 H new ATOM 0 HA GLU A 25 0.420 -5.829 -14.660 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.476 -6.440 -17.046 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.457 -7.621 -16.148 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.574 -6.538 -16.924 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.640 -5.360 -17.824 1.00 0.00 H new ATOM 331 N LYS A 26 -1.445 -3.397 -15.647 1.00 0.00 N ATOM 332 CA LYS A 26 -1.469 -1.945 -15.915 1.00 0.00 C ATOM 333 C LYS A 26 -1.051 -1.075 -14.715 1.00 0.00 C ATOM 334 O LYS A 26 -0.900 0.138 -14.868 1.00 0.00 O ATOM 335 CB LYS A 26 -2.861 -1.551 -16.444 1.00 0.00 C ATOM 336 CG LYS A 26 -3.167 -2.217 -17.797 1.00 0.00 C ATOM 337 CD LYS A 26 -4.530 -1.809 -18.376 1.00 0.00 C ATOM 338 CE LYS A 26 -5.742 -2.205 -17.518 1.00 0.00 C ATOM 339 NZ LYS A 26 -5.842 -3.674 -17.318 1.00 0.00 N ATOM 0 H LYS A 26 -2.363 -3.771 -15.409 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.712 -1.745 -16.673 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.621 -1.838 -15.717 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.916 -0.468 -16.551 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.384 -1.956 -18.509 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.140 -3.300 -17.676 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.540 -0.728 -18.516 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.639 -2.259 -19.363 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.672 -1.713 -16.548 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.654 -1.843 -17.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.842 -3.945 -17.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.423 -4.165 -18.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.331 -3.942 -16.453 1.00 0.00 H new ATOM 353 N VAL A 27 -0.858 -1.659 -13.527 1.00 0.00 N ATOM 354 CA VAL A 27 -0.406 -0.952 -12.312 1.00 0.00 C ATOM 355 C VAL A 27 1.105 -0.686 -12.346 1.00 0.00 C ATOM 356 O VAL A 27 1.887 -1.572 -12.703 1.00 0.00 O ATOM 357 CB VAL A 27 -0.796 -1.725 -11.034 1.00 0.00 C ATOM 358 CG1 VAL A 27 -0.343 -1.003 -9.761 1.00 0.00 C ATOM 359 CG2 VAL A 27 -2.317 -1.913 -10.939 1.00 0.00 C ATOM 0 H VAL A 27 -1.013 -2.656 -13.375 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.915 0.012 -12.292 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.294 -2.690 -11.108 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.639 -1.584 -8.888 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.741 -0.892 -9.772 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.808 -0.018 -9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.560 -2.461 -10.028 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.803 -0.938 -10.916 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.669 -2.474 -11.805 1.00 0.00 H new ATOM 369 N SER A 28 1.512 0.512 -11.909 1.00 0.00 N ATOM 370 CA SER A 28 2.918 0.916 -11.721 1.00 0.00 C ATOM 371 C SER A 28 3.112 1.678 -10.402 1.00 0.00 C ATOM 372 O SER A 28 2.156 2.213 -9.839 1.00 0.00 O ATOM 373 CB SER A 28 3.388 1.791 -12.894 1.00 0.00 C ATOM 374 OG SER A 28 3.293 1.102 -14.132 1.00 0.00 O ATOM 0 H SER A 28 0.854 1.253 -11.668 1.00 0.00 H new ATOM 0 HA SER A 28 3.517 0.006 -11.685 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.786 2.699 -12.935 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.420 2.100 -12.727 1.00 0.00 H new ATOM 0 HG SER A 28 3.598 1.687 -14.856 1.00 0.00 H new ATOM 380 N GLU A 29 4.348 1.793 -9.911 1.00 0.00 N ATOM 381 CA GLU A 29 4.653 2.502 -8.654 1.00 0.00 C ATOM 382 C GLU A 29 4.178 3.974 -8.614 1.00 0.00 C ATOM 383 O GLU A 29 3.634 4.377 -7.580 1.00 0.00 O ATOM 384 CB GLU A 29 6.168 2.417 -8.374 1.00 0.00 C ATOM 385 CG GLU A 29 6.549 1.151 -7.599 1.00 0.00 C ATOM 386 CD GLU A 29 7.838 0.491 -8.128 1.00 0.00 C ATOM 387 OE1 GLU A 29 8.767 0.233 -7.329 1.00 0.00 O ATOM 388 OE2 GLU A 29 7.907 0.155 -9.336 1.00 0.00 O ATOM 0 H GLU A 29 5.170 1.399 -10.369 1.00 0.00 H new ATOM 0 HA GLU A 29 4.085 1.998 -7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.711 2.438 -9.319 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.480 3.294 -7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.680 1.401 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.729 0.435 -7.657 1.00 0.00 H new ATOM 395 N PRO A 30 4.289 4.779 -9.696 1.00 0.00 N ATOM 396 CA PRO A 30 3.726 6.133 -9.726 1.00 0.00 C ATOM 397 C PRO A 30 2.193 6.163 -9.661 1.00 0.00 C ATOM 398 O PRO A 30 1.630 7.119 -9.121 1.00 0.00 O ATOM 399 CB PRO A 30 4.236 6.772 -11.024 1.00 0.00 C ATOM 400 CG PRO A 30 5.506 5.984 -11.334 1.00 0.00 C ATOM 401 CD PRO A 30 5.125 4.582 -10.872 1.00 0.00 C ATOM 0 HA PRO A 30 4.045 6.683 -8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.505 6.687 -11.828 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.444 7.834 -10.894 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.755 6.011 -12.395 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.370 6.372 -10.794 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.586 4.044 -11.652 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.010 3.993 -10.631 1.00 0.00 H new ATOM 409 N LEU A 31 1.507 5.118 -10.153 1.00 0.00 N ATOM 410 CA LEU A 31 0.054 4.995 -10.008 1.00 0.00 C ATOM 411 C LEU A 31 -0.292 4.810 -8.536 1.00 0.00 C ATOM 412 O LEU A 31 -1.091 5.575 -8.008 1.00 0.00 O ATOM 413 CB LEU A 31 -0.502 3.816 -10.828 1.00 0.00 C ATOM 414 CG LEU A 31 -2.037 3.682 -10.738 1.00 0.00 C ATOM 415 CD1 LEU A 31 -2.719 4.737 -11.598 1.00 0.00 C ATOM 416 CD2 LEU A 31 -2.438 2.302 -11.247 1.00 0.00 C ATOM 0 H LEU A 31 1.942 4.345 -10.656 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.404 5.908 -10.389 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.215 3.941 -11.872 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.042 2.891 -10.480 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.344 3.818 -9.701 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.801 4.626 -11.521 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.431 5.730 -11.253 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.415 4.612 -12.637 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.521 2.193 -11.189 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.117 2.189 -12.282 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.963 1.536 -10.634 1.00 0.00 H new ATOM 428 N LEU A 32 0.331 3.826 -7.875 1.00 0.00 N ATOM 429 CA LEU A 32 0.064 3.541 -6.464 1.00 0.00 C ATOM 430 C LEU A 32 0.275 4.782 -5.598 1.00 0.00 C ATOM 431 O LEU A 32 -0.554 5.074 -4.745 1.00 0.00 O ATOM 432 CB LEU A 32 0.954 2.401 -5.944 1.00 0.00 C ATOM 433 CG LEU A 32 0.758 1.035 -6.612 1.00 0.00 C ATOM 434 CD1 LEU A 32 1.468 -0.040 -5.792 1.00 0.00 C ATOM 435 CD2 LEU A 32 -0.714 0.641 -6.684 1.00 0.00 C ATOM 0 H LEU A 32 1.026 3.212 -8.300 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.979 3.233 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.996 2.696 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.778 2.288 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 32 1.164 1.113 -7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.329 -1.011 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.533 0.188 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.050 -0.065 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.807 -0.333 -7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.127 0.590 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.262 1.385 -7.263 1.00 0.00 H new ATOM 447 N TRP A 33 1.331 5.552 -5.864 1.00 0.00 N ATOM 448 CA TRP A 33 1.621 6.792 -5.150 1.00 0.00 C ATOM 449 C TRP A 33 0.461 7.785 -5.265 1.00 0.00 C ATOM 450 O TRP A 33 -0.178 8.118 -4.267 1.00 0.00 O ATOM 451 CB TRP A 33 2.930 7.373 -5.700 1.00 0.00 C ATOM 452 CG TRP A 33 3.600 8.450 -4.907 1.00 0.00 C ATOM 453 CD1 TRP A 33 3.027 9.510 -4.291 1.00 0.00 C ATOM 454 CD2 TRP A 33 5.030 8.581 -4.666 1.00 0.00 C ATOM 455 NE1 TRP A 33 4.005 10.268 -3.667 1.00 0.00 N ATOM 456 CE2 TRP A 33 5.263 9.744 -3.876 1.00 0.00 C ATOM 457 CE3 TRP A 33 6.152 7.823 -5.058 1.00 0.00 C ATOM 458 CZ2 TRP A 33 6.552 10.135 -3.488 1.00 0.00 C ATOM 459 CZ3 TRP A 33 7.452 8.208 -4.680 1.00 0.00 C ATOM 460 CH2 TRP A 33 7.654 9.361 -3.899 1.00 0.00 C ATOM 0 H TRP A 33 2.014 5.329 -6.588 1.00 0.00 H new ATOM 0 HA TRP A 33 1.740 6.587 -4.086 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.638 6.553 -5.817 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.730 7.766 -6.697 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.970 9.731 -4.286 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.817 11.109 -3.121 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.012 6.935 -5.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 6.698 11.017 -2.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 8.299 7.615 -4.991 1.00 0.00 H new ATOM 0 HH2 TRP A 33 8.654 9.652 -3.615 1.00 0.00 H new ATOM 471 N GLU A 34 0.156 8.229 -6.485 1.00 0.00 N ATOM 472 CA GLU A 34 -0.886 9.236 -6.743 1.00 0.00 C ATOM 473 C GLU A 34 -2.307 8.769 -6.382 1.00 0.00 C ATOM 474 O GLU A 34 -3.143 9.583 -5.986 1.00 0.00 O ATOM 475 CB GLU A 34 -0.837 9.667 -8.216 1.00 0.00 C ATOM 476 CG GLU A 34 0.448 10.443 -8.527 1.00 0.00 C ATOM 477 CD GLU A 34 0.368 11.125 -9.907 1.00 0.00 C ATOM 478 OE1 GLU A 34 0.747 10.504 -10.930 1.00 0.00 O ATOM 479 OE2 GLU A 34 -0.072 12.300 -9.981 1.00 0.00 O ATOM 0 H GLU A 34 0.625 7.901 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.667 10.079 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.897 8.787 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.703 10.288 -8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.617 11.195 -7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.301 9.764 -8.503 1.00 0.00 H new ATOM 486 N LEU A 35 -2.578 7.465 -6.470 1.00 0.00 N ATOM 487 CA LEU A 35 -3.860 6.862 -6.088 1.00 0.00 C ATOM 488 C LEU A 35 -4.054 6.832 -4.560 1.00 0.00 C ATOM 489 O LEU A 35 -5.171 7.026 -4.081 1.00 0.00 O ATOM 490 CB LEU A 35 -3.934 5.442 -6.685 1.00 0.00 C ATOM 491 CG LEU A 35 -5.353 4.864 -6.771 1.00 0.00 C ATOM 492 CD1 LEU A 35 -6.122 5.409 -7.974 1.00 0.00 C ATOM 493 CD2 LEU A 35 -5.300 3.340 -6.848 1.00 0.00 C ATOM 0 H LEU A 35 -1.901 6.785 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.669 7.474 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.500 5.458 -7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.319 4.775 -6.081 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.880 5.170 -5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.121 4.973 -7.995 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.201 6.493 -7.895 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.593 5.150 -8.891 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.313 2.943 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.739 3.040 -7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.809 2.948 -5.957 1.00 0.00 H new ATOM 505 N PHE A 36 -2.986 6.615 -3.785 1.00 0.00 N ATOM 506 CA PHE A 36 -3.022 6.489 -2.322 1.00 0.00 C ATOM 507 C PHE A 36 -2.881 7.834 -1.588 1.00 0.00 C ATOM 508 O PHE A 36 -3.190 7.906 -0.399 1.00 0.00 O ATOM 509 CB PHE A 36 -1.981 5.452 -1.873 1.00 0.00 C ATOM 510 CG PHE A 36 -2.430 3.995 -1.948 1.00 0.00 C ATOM 511 CD1 PHE A 36 -2.528 3.225 -0.772 1.00 0.00 C ATOM 512 CD2 PHE A 36 -2.733 3.389 -3.183 1.00 0.00 C ATOM 513 CE1 PHE A 36 -2.955 1.884 -0.827 1.00 0.00 C ATOM 514 CE2 PHE A 36 -3.134 2.042 -3.246 1.00 0.00 C ATOM 515 CZ PHE A 36 -3.264 1.296 -2.064 1.00 0.00 C ATOM 0 H PHE A 36 -2.046 6.519 -4.168 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.013 6.133 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.088 5.571 -2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.694 5.673 -0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.273 3.667 0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.657 3.966 -4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.045 1.308 0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.341 1.583 -4.201 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.601 0.271 -2.106 1.00 0.00 H new ATOM 525 N LEU A 37 -2.529 8.921 -2.291 1.00 0.00 N ATOM 526 CA LEU A 37 -2.578 10.302 -1.774 1.00 0.00 C ATOM 527 C LEU A 37 -3.945 10.704 -1.174 1.00 0.00 C ATOM 528 O LEU A 37 -4.026 11.624 -0.360 1.00 0.00 O ATOM 529 CB LEU A 37 -2.209 11.282 -2.906 1.00 0.00 C ATOM 530 CG LEU A 37 -0.713 11.408 -3.235 1.00 0.00 C ATOM 531 CD1 LEU A 37 -0.515 12.437 -4.347 1.00 0.00 C ATOM 532 CD2 LEU A 37 0.111 11.856 -2.030 1.00 0.00 C ATOM 0 H LEU A 37 -2.196 8.866 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.859 10.350 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.734 10.974 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.585 12.270 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.373 10.419 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.547 12.524 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.055 12.118 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.895 13.405 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.161 11.930 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.242 12.829 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.003 11.129 -1.225 1.00 0.00 H new ATOM 544 N GLN A 38 -5.013 9.999 -1.553 1.00 0.00 N ATOM 545 CA GLN A 38 -6.373 10.153 -1.010 1.00 0.00 C ATOM 546 C GLN A 38 -6.460 9.802 0.484 1.00 0.00 C ATOM 547 O GLN A 38 -7.253 10.398 1.216 1.00 0.00 O ATOM 548 CB GLN A 38 -7.351 9.252 -1.784 1.00 0.00 C ATOM 549 CG GLN A 38 -7.301 9.504 -3.294 1.00 0.00 C ATOM 550 CD GLN A 38 -8.330 8.667 -4.049 1.00 0.00 C ATOM 551 OE1 GLN A 38 -9.481 9.046 -4.224 1.00 0.00 O ATOM 552 NE2 GLN A 38 -7.959 7.493 -4.511 1.00 0.00 N ATOM 0 H GLN A 38 -4.957 9.278 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.638 11.204 -1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.115 8.207 -1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.365 9.424 -1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.479 10.561 -3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.303 9.274 -3.667 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.002 7.169 -4.370 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.628 6.907 -5.010 1.00 0.00 H new ATOM 561 N ALA A 39 -5.645 8.843 0.941 1.00 0.00 N ATOM 562 CA ALA A 39 -5.569 8.451 2.348 1.00 0.00 C ATOM 563 C ALA A 39 -4.727 9.427 3.188 1.00 0.00 C ATOM 564 O ALA A 39 -5.142 9.839 4.273 1.00 0.00 O ATOM 565 CB ALA A 39 -4.991 7.037 2.428 1.00 0.00 C ATOM 0 H ALA A 39 -5.016 8.315 0.337 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.575 8.476 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.927 6.728 3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.638 6.348 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.995 7.025 1.985 1.00 0.00 H new ATOM 571 N GLY A 40 -3.555 9.807 2.672 1.00 0.00 N ATOM 572 CA GLY A 40 -2.639 10.753 3.311 1.00 0.00 C ATOM 573 C GLY A 40 -1.381 11.033 2.477 1.00 0.00 C ATOM 574 O GLY A 40 -1.272 10.553 1.346 1.00 0.00 O ATOM 0 H GLY A 40 -3.210 9.457 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.164 11.691 3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.342 10.361 4.284 1.00 0.00 H new ATOM 578 N PRO A 41 -0.414 11.799 3.009 1.00 0.00 N ATOM 579 CA PRO A 41 0.821 12.148 2.308 1.00 0.00 C ATOM 580 C PRO A 41 1.707 10.913 2.076 1.00 0.00 C ATOM 581 O PRO A 41 2.245 10.324 3.020 1.00 0.00 O ATOM 582 CB PRO A 41 1.497 13.210 3.184 1.00 0.00 C ATOM 583 CG PRO A 41 0.964 12.910 4.585 1.00 0.00 C ATOM 584 CD PRO A 41 -0.457 12.421 4.320 1.00 0.00 C ATOM 0 HA PRO A 41 0.629 12.536 1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.583 13.132 3.143 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.238 14.219 2.864 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.563 12.152 5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.973 13.797 5.218 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.776 11.710 5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.167 13.248 4.339 1.00 0.00 H new ATOM 592 N VAL A 42 1.866 10.536 0.806 1.00 0.00 N ATOM 593 CA VAL A 42 2.735 9.439 0.353 1.00 0.00 C ATOM 594 C VAL A 42 4.154 9.962 0.111 1.00 0.00 C ATOM 595 O VAL A 42 4.355 11.015 -0.499 1.00 0.00 O ATOM 596 CB VAL A 42 2.173 8.738 -0.900 1.00 0.00 C ATOM 597 CG1 VAL A 42 3.100 7.612 -1.379 1.00 0.00 C ATOM 598 CG2 VAL A 42 0.794 8.118 -0.641 1.00 0.00 C ATOM 0 H VAL A 42 1.380 10.998 0.037 1.00 0.00 H new ATOM 0 HA VAL A 42 2.769 8.687 1.141 1.00 0.00 H new ATOM 0 HB VAL A 42 2.094 9.514 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.672 7.140 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.078 8.026 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.209 6.869 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.436 7.635 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.871 7.379 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.094 8.899 -0.345 1.00 0.00 H new ATOM 608 N VAL A 43 5.135 9.206 0.599 1.00 0.00 N ATOM 609 CA VAL A 43 6.566 9.550 0.663 1.00 0.00 C ATOM 610 C VAL A 43 7.401 8.712 -0.313 1.00 0.00 C ATOM 611 O VAL A 43 8.410 9.190 -0.833 1.00 0.00 O ATOM 612 CB VAL A 43 7.085 9.329 2.104 1.00 0.00 C ATOM 613 CG1 VAL A 43 8.454 9.971 2.345 1.00 0.00 C ATOM 614 CG2 VAL A 43 6.144 9.905 3.166 1.00 0.00 C ATOM 0 H VAL A 43 4.948 8.281 0.985 1.00 0.00 H new ATOM 0 HA VAL A 43 6.670 10.597 0.378 1.00 0.00 H new ATOM 0 HB VAL A 43 7.149 8.245 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.768 9.784 3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.183 9.541 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.387 11.046 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.558 9.721 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.035 10.979 3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.168 9.426 3.086 1.00 0.00 H new ATOM 624 N ASN A 44 7.000 7.454 -0.536 1.00 0.00 N ATOM 625 CA ASN A 44 7.711 6.453 -1.337 1.00 0.00 C ATOM 626 C ASN A 44 6.755 5.310 -1.771 1.00 0.00 C ATOM 627 O ASN A 44 5.718 5.087 -1.143 1.00 0.00 O ATOM 628 CB ASN A 44 8.907 5.973 -0.478 1.00 0.00 C ATOM 629 CG ASN A 44 9.656 4.777 -1.032 1.00 0.00 C ATOM 630 OD1 ASN A 44 10.061 4.751 -2.185 1.00 0.00 O ATOM 631 ND2 ASN A 44 9.868 3.759 -0.228 1.00 0.00 N ATOM 0 H ASN A 44 6.131 7.091 -0.144 1.00 0.00 H new ATOM 0 HA ASN A 44 8.086 6.867 -2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.608 6.800 -0.364 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.542 5.724 0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.374 2.940 -0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.527 3.788 0.733 1.00 0.00 H new ATOM 638 N THR A 45 7.108 4.557 -2.816 1.00 0.00 N ATOM 639 CA THR A 45 6.422 3.324 -3.267 1.00 0.00 C ATOM 640 C THR A 45 7.422 2.230 -3.649 1.00 0.00 C ATOM 641 O THR A 45 8.563 2.517 -4.021 1.00 0.00 O ATOM 642 CB THR A 45 5.487 3.554 -4.469 1.00 0.00 C ATOM 643 OG1 THR A 45 6.059 4.394 -5.444 1.00 0.00 O ATOM 644 CG2 THR A 45 4.154 4.161 -4.069 1.00 0.00 C ATOM 0 H THR A 45 7.911 4.791 -3.400 1.00 0.00 H new ATOM 0 HA THR A 45 5.822 3.010 -2.413 1.00 0.00 H new ATOM 0 HB THR A 45 5.328 2.558 -4.882 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.428 4.512 -6.185 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.537 4.300 -4.957 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.644 3.494 -3.374 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.323 5.125 -3.589 1.00 0.00 H new ATOM 652 N HIS A 46 7.000 0.961 -3.571 1.00 0.00 N ATOM 653 CA HIS A 46 7.807 -0.190 -3.990 1.00 0.00 C ATOM 654 C HIS A 46 6.941 -1.263 -4.658 1.00 0.00 C ATOM 655 O HIS A 46 5.894 -1.616 -4.127 1.00 0.00 O ATOM 656 CB HIS A 46 8.544 -0.772 -2.771 1.00 0.00 C ATOM 657 CG HIS A 46 9.751 -1.584 -3.167 1.00 0.00 C ATOM 658 ND1 HIS A 46 9.721 -2.880 -3.691 1.00 0.00 N ATOM 659 CD2 HIS A 46 11.045 -1.156 -3.125 1.00 0.00 C ATOM 660 CE1 HIS A 46 10.999 -3.206 -3.944 1.00 0.00 C ATOM 661 NE2 HIS A 46 11.815 -2.191 -3.613 1.00 0.00 N ATOM 0 H HIS A 46 6.081 0.703 -3.212 1.00 0.00 H new ATOM 0 HA HIS A 46 8.537 0.147 -4.726 1.00 0.00 H new ATOM 0 HB2 HIS A 46 8.855 0.041 -2.115 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.859 -1.398 -2.200 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.397 -0.196 -2.778 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.325 -4.150 -4.355 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.831 -2.187 -3.707 1.00 0.00 H new ATOM 669 N MET A 47 7.361 -1.812 -5.795 1.00 0.00 N ATOM 670 CA MET A 47 6.745 -2.993 -6.418 1.00 0.00 C ATOM 671 C MET A 47 7.849 -3.964 -6.856 1.00 0.00 C ATOM 672 O MET A 47 8.520 -3.689 -7.855 1.00 0.00 O ATOM 673 CB MET A 47 5.852 -2.593 -7.606 1.00 0.00 C ATOM 674 CG MET A 47 4.520 -1.990 -7.145 1.00 0.00 C ATOM 675 SD MET A 47 3.501 -1.229 -8.437 1.00 0.00 S ATOM 676 CE MET A 47 3.228 -2.665 -9.493 1.00 0.00 C ATOM 0 H MET A 47 8.153 -1.446 -6.323 1.00 0.00 H new ATOM 0 HA MET A 47 6.103 -3.488 -5.689 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.380 -1.872 -8.230 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.659 -3.469 -8.225 1.00 0.00 H new ATOM 0 HG2 MET A 47 3.936 -2.775 -6.665 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.729 -1.237 -6.385 1.00 0.00 H new ATOM 0 HE1 MET A 47 2.437 -2.444 -10.210 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.147 -2.903 -10.028 1.00 0.00 H new ATOM 0 HE3 MET A 47 2.934 -3.517 -8.880 1.00 0.00 H new ATOM 686 N PRO A 48 8.064 -5.088 -6.147 1.00 0.00 N ATOM 687 CA PRO A 48 9.079 -6.076 -6.513 1.00 0.00 C ATOM 688 C PRO A 48 8.882 -6.644 -7.926 1.00 0.00 C ATOM 689 O PRO A 48 7.751 -6.904 -8.354 1.00 0.00 O ATOM 690 CB PRO A 48 9.010 -7.156 -5.428 1.00 0.00 C ATOM 691 CG PRO A 48 8.539 -6.362 -4.211 1.00 0.00 C ATOM 692 CD PRO A 48 7.528 -5.397 -4.827 1.00 0.00 C ATOM 0 HA PRO A 48 10.068 -5.620 -6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.313 -7.952 -5.690 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.979 -7.625 -5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.082 -7.004 -3.458 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.361 -5.836 -3.725 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.540 -5.852 -4.898 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.422 -4.496 -4.222 1.00 0.00 H new ATOM 700 N LYS A 49 9.990 -6.832 -8.652 1.00 0.00 N ATOM 701 CA LYS A 49 10.020 -7.257 -10.063 1.00 0.00 C ATOM 702 C LYS A 49 10.522 -8.696 -10.231 1.00 0.00 C ATOM 703 O LYS A 49 11.358 -9.174 -9.463 1.00 0.00 O ATOM 704 CB LYS A 49 10.869 -6.289 -10.912 1.00 0.00 C ATOM 705 CG LYS A 49 10.517 -4.792 -10.816 1.00 0.00 C ATOM 706 CD LYS A 49 9.049 -4.462 -11.133 1.00 0.00 C ATOM 707 CE LYS A 49 8.783 -2.954 -11.291 1.00 0.00 C ATOM 708 NZ LYS A 49 9.196 -2.172 -10.097 1.00 0.00 N ATOM 0 H LYS A 49 10.923 -6.689 -8.264 1.00 0.00 H new ATOM 0 HA LYS A 49 8.990 -7.230 -10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.913 -6.412 -10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.787 -6.591 -11.956 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.746 -4.441 -9.810 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.157 -4.236 -11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.759 -4.973 -12.051 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.416 -4.854 -10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.318 -2.584 -12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.721 -2.794 -11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.707 -1.254 -10.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.946 -2.697 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.224 -2.017 -10.122 1.00 0.00 H new ATOM 722 N ASP A 50 10.033 -9.368 -11.266 1.00 0.00 N ATOM 723 CA ASP A 50 10.482 -10.689 -11.712 1.00 0.00 C ATOM 724 C ASP A 50 11.915 -10.648 -12.282 1.00 0.00 C ATOM 725 O ASP A 50 12.265 -9.749 -13.049 1.00 0.00 O ATOM 726 CB ASP A 50 9.490 -11.202 -12.764 1.00 0.00 C ATOM 727 CG ASP A 50 9.944 -12.541 -13.348 1.00 0.00 C ATOM 728 OD1 ASP A 50 9.688 -13.600 -12.730 1.00 0.00 O ATOM 729 OD2 ASP A 50 10.607 -12.504 -14.409 1.00 0.00 O ATOM 0 H ASP A 50 9.281 -8.995 -11.845 1.00 0.00 H new ATOM 0 HA ASP A 50 10.510 -11.365 -10.858 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.504 -11.315 -12.313 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.393 -10.468 -13.564 1.00 0.00 H new ATOM 734 N ARG A 51 12.742 -11.648 -11.950 1.00 0.00 N ATOM 735 CA ARG A 51 14.181 -11.688 -12.287 1.00 0.00 C ATOM 736 C ARG A 51 14.525 -12.125 -13.724 1.00 0.00 C ATOM 737 O ARG A 51 15.703 -12.334 -14.022 1.00 0.00 O ATOM 738 CB ARG A 51 14.943 -12.487 -11.209 1.00 0.00 C ATOM 739 CG ARG A 51 14.643 -13.996 -11.223 1.00 0.00 C ATOM 740 CD ARG A 51 15.409 -14.715 -10.105 1.00 0.00 C ATOM 741 NE ARG A 51 15.135 -16.166 -10.106 1.00 0.00 N ATOM 742 CZ ARG A 51 15.739 -17.098 -10.826 1.00 0.00 C ATOM 743 NH1 ARG A 51 15.386 -18.346 -10.711 1.00 0.00 N ATOM 744 NH2 ARG A 51 16.694 -16.821 -11.669 1.00 0.00 N ATOM 0 H ARG A 51 12.430 -12.468 -11.431 1.00 0.00 H new ATOM 0 HA ARG A 51 14.523 -10.653 -12.279 1.00 0.00 H new ATOM 0 HB2 ARG A 51 16.014 -12.338 -11.349 1.00 0.00 H new ATOM 0 HB3 ARG A 51 14.691 -12.086 -10.227 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.572 -14.159 -11.100 1.00 0.00 H new ATOM 0 HG3 ARG A 51 14.921 -14.417 -12.189 1.00 0.00 H new ATOM 0 HD2 ARG A 51 16.479 -14.546 -10.229 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.129 -14.292 -9.140 1.00 0.00 H new ATOM 0 HE ARG A 51 14.396 -16.487 -9.480 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.642 -18.608 -10.065 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.854 -19.062 -11.267 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.001 -15.856 -11.792 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.134 -17.569 -12.205 1.00 0.00 H new ATOM 758 N VAL A 52 13.533 -12.281 -14.608 1.00 0.00 N ATOM 759 CA VAL A 52 13.698 -12.799 -15.985 1.00 0.00 C ATOM 760 C VAL A 52 12.978 -11.911 -17.008 1.00 0.00 C ATOM 761 O VAL A 52 13.499 -11.677 -18.100 1.00 0.00 O ATOM 762 CB VAL A 52 13.183 -14.255 -16.093 1.00 0.00 C ATOM 763 CG1 VAL A 52 13.479 -14.864 -17.471 1.00 0.00 C ATOM 764 CG2 VAL A 52 13.818 -15.179 -15.043 1.00 0.00 C ATOM 0 H VAL A 52 12.565 -12.046 -14.387 1.00 0.00 H new ATOM 0 HA VAL A 52 14.764 -12.785 -16.211 1.00 0.00 H new ATOM 0 HB VAL A 52 12.108 -14.189 -15.928 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.102 -15.886 -17.506 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.990 -14.270 -18.244 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.555 -14.868 -17.643 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.424 -16.188 -15.161 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.900 -15.194 -15.178 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.582 -14.812 -14.044 1.00 0.00 H new ATOM 774 N THR A 53 11.806 -11.382 -16.649 1.00 0.00 N ATOM 775 CA THR A 53 10.926 -10.577 -17.513 1.00 0.00 C ATOM 776 C THR A 53 10.784 -9.133 -17.029 1.00 0.00 C ATOM 777 O THR A 53 10.299 -8.272 -17.767 1.00 0.00 O ATOM 778 CB THR A 53 9.527 -11.208 -17.622 1.00 0.00 C ATOM 779 OG1 THR A 53 8.897 -11.238 -16.359 1.00 0.00 O ATOM 780 CG2 THR A 53 9.553 -12.634 -18.174 1.00 0.00 C ATOM 0 H THR A 53 11.425 -11.505 -15.711 1.00 0.00 H new ATOM 0 HA THR A 53 11.403 -10.562 -18.493 1.00 0.00 H new ATOM 0 HB THR A 53 8.973 -10.580 -18.320 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.460 -11.728 -15.724 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.536 -13.023 -18.226 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.992 -12.630 -19.172 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.150 -13.267 -17.518 1.00 0.00 H new ATOM 788 N GLY A 54 11.197 -8.854 -15.788 1.00 0.00 N ATOM 789 CA GLY A 54 11.237 -7.519 -15.197 1.00 0.00 C ATOM 790 C GLY A 54 9.869 -6.891 -14.885 1.00 0.00 C ATOM 791 O GLY A 54 9.807 -5.723 -14.498 1.00 0.00 O ATOM 0 H GLY A 54 11.523 -9.579 -15.148 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.814 -7.567 -14.274 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.775 -6.857 -15.875 1.00 0.00 H new ATOM 795 N GLN A 55 8.775 -7.643 -15.045 1.00 0.00 N ATOM 796 CA GLN A 55 7.410 -7.214 -14.712 1.00 0.00 C ATOM 797 C GLN A 55 7.160 -7.326 -13.199 1.00 0.00 C ATOM 798 O GLN A 55 7.865 -8.068 -12.512 1.00 0.00 O ATOM 799 CB GLN A 55 6.387 -8.047 -15.511 1.00 0.00 C ATOM 800 CG GLN A 55 6.661 -8.132 -17.025 1.00 0.00 C ATOM 801 CD GLN A 55 6.857 -6.768 -17.687 1.00 0.00 C ATOM 802 OE1 GLN A 55 5.945 -5.955 -17.782 1.00 0.00 O ATOM 803 NE2 GLN A 55 8.045 -6.453 -18.159 1.00 0.00 N ATOM 0 H GLN A 55 8.814 -8.591 -15.419 1.00 0.00 H new ATOM 0 HA GLN A 55 7.290 -6.167 -14.989 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.365 -9.058 -15.103 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.395 -7.621 -15.359 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.551 -8.739 -17.192 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.830 -8.645 -17.508 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.815 -7.118 -18.088 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.196 -5.544 -18.596 1.00 0.00 H new ATOM 812 N HIS A 56 6.170 -6.616 -12.648 1.00 0.00 N ATOM 813 CA HIS A 56 5.855 -6.722 -11.213 1.00 0.00 C ATOM 814 C HIS A 56 5.276 -8.100 -10.843 1.00 0.00 C ATOM 815 O HIS A 56 4.641 -8.766 -11.663 1.00 0.00 O ATOM 816 CB HIS A 56 4.980 -5.552 -10.737 1.00 0.00 C ATOM 817 CG HIS A 56 3.520 -5.633 -11.114 1.00 0.00 C ATOM 818 ND1 HIS A 56 2.581 -6.473 -10.510 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.880 -4.832 -12.016 1.00 0.00 C ATOM 820 CE1 HIS A 56 1.402 -6.175 -11.079 1.00 0.00 C ATOM 821 NE2 HIS A 56 1.550 -5.186 -11.972 1.00 0.00 N ATOM 0 H HIS A 56 5.576 -5.967 -13.165 1.00 0.00 H new ATOM 0 HA HIS A 56 6.796 -6.643 -10.668 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.053 -5.485 -9.652 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.390 -4.627 -11.142 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.328 -4.072 -12.640 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.466 -6.663 -10.850 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.803 -4.766 -12.526 1.00 0.00 H new ATOM 829 N GLN A 57 5.504 -8.538 -9.600 1.00 0.00 N ATOM 830 CA GLN A 57 5.154 -9.890 -9.129 1.00 0.00 C ATOM 831 C GLN A 57 3.700 -10.029 -8.612 1.00 0.00 C ATOM 832 O GLN A 57 3.385 -10.970 -7.880 1.00 0.00 O ATOM 833 CB GLN A 57 6.209 -10.385 -8.119 1.00 0.00 C ATOM 834 CG GLN A 57 7.625 -10.436 -8.719 1.00 0.00 C ATOM 835 CD GLN A 57 8.615 -11.202 -7.840 1.00 0.00 C ATOM 836 OE1 GLN A 57 9.244 -12.164 -8.263 1.00 0.00 O ATOM 837 NE2 GLN A 57 8.801 -10.820 -6.593 1.00 0.00 N ATOM 0 H GLN A 57 5.941 -7.960 -8.882 1.00 0.00 H new ATOM 0 HA GLN A 57 5.176 -10.548 -9.998 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.210 -9.728 -7.249 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.932 -11.379 -7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.581 -10.905 -9.702 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.989 -9.419 -8.867 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.287 -10.021 -6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.460 -11.323 -5.998 1.00 0.00 H new ATOM 846 N GLY A 58 2.802 -9.105 -8.975 1.00 0.00 N ATOM 847 CA GLY A 58 1.385 -9.101 -8.579 1.00 0.00 C ATOM 848 C GLY A 58 1.080 -8.385 -7.257 1.00 0.00 C ATOM 849 O GLY A 58 -0.074 -8.375 -6.822 1.00 0.00 O ATOM 0 H GLY A 58 3.047 -8.314 -9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.804 -8.630 -9.372 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.042 -10.133 -8.503 1.00 0.00 H new ATOM 853 N TYR A 59 2.081 -7.776 -6.615 1.00 0.00 N ATOM 854 CA TYR A 59 1.941 -7.034 -5.358 1.00 0.00 C ATOM 855 C TYR A 59 2.888 -5.824 -5.278 1.00 0.00 C ATOM 856 O TYR A 59 3.891 -5.741 -5.995 1.00 0.00 O ATOM 857 CB TYR A 59 2.140 -7.978 -4.160 1.00 0.00 C ATOM 858 CG TYR A 59 3.540 -8.550 -4.012 1.00 0.00 C ATOM 859 CD1 TYR A 59 3.908 -9.702 -4.734 1.00 0.00 C ATOM 860 CD2 TYR A 59 4.466 -7.941 -3.142 1.00 0.00 C ATOM 861 CE1 TYR A 59 5.204 -10.234 -4.605 1.00 0.00 C ATOM 862 CE2 TYR A 59 5.754 -8.489 -2.987 1.00 0.00 C ATOM 863 CZ TYR A 59 6.133 -9.626 -3.735 1.00 0.00 C ATOM 864 OH TYR A 59 7.387 -10.144 -3.623 1.00 0.00 O ATOM 0 H TYR A 59 3.039 -7.786 -6.965 1.00 0.00 H new ATOM 0 HA TYR A 59 0.928 -6.632 -5.326 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.887 -7.439 -3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.435 -8.804 -4.248 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.193 -10.178 -5.389 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.188 -7.053 -2.594 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.488 -11.108 -5.172 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.452 -8.040 -2.296 1.00 0.00 H new ATOM 0 HH TYR A 59 7.905 -9.611 -2.985 1.00 0.00 H new ATOM 874 N GLY A 60 2.553 -4.879 -4.401 1.00 0.00 N ATOM 875 CA GLY A 60 3.273 -3.629 -4.176 1.00 0.00 C ATOM 876 C GLY A 60 3.141 -3.101 -2.747 1.00 0.00 C ATOM 877 O GLY A 60 2.528 -3.728 -1.882 1.00 0.00 O ATOM 0 H GLY A 60 1.734 -4.969 -3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.328 -3.780 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.902 -2.875 -4.870 1.00 0.00 H new ATOM 881 N PHE A 61 3.716 -1.924 -2.515 1.00 0.00 N ATOM 882 CA PHE A 61 3.766 -1.227 -1.235 1.00 0.00 C ATOM 883 C PHE A 61 3.672 0.293 -1.415 1.00 0.00 C ATOM 884 O PHE A 61 4.187 0.841 -2.397 1.00 0.00 O ATOM 885 CB PHE A 61 5.078 -1.543 -0.500 1.00 0.00 C ATOM 886 CG PHE A 61 5.347 -3.003 -0.190 1.00 0.00 C ATOM 887 CD1 PHE A 61 6.046 -3.805 -1.114 1.00 0.00 C ATOM 888 CD2 PHE A 61 4.948 -3.545 1.046 1.00 0.00 C ATOM 889 CE1 PHE A 61 6.345 -5.142 -0.802 1.00 0.00 C ATOM 890 CE2 PHE A 61 5.260 -4.880 1.363 1.00 0.00 C ATOM 891 CZ PHE A 61 5.956 -5.680 0.438 1.00 0.00 C ATOM 0 H PHE A 61 4.185 -1.403 -3.256 1.00 0.00 H new ATOM 0 HA PHE A 61 2.912 -1.573 -0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.905 -1.164 -1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.085 -0.988 0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.352 -3.391 -2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.402 -2.936 1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.874 -5.757 -1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.965 -5.291 2.317 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.191 -6.706 0.680 1.00 0.00 H new ATOM 901 N VAL A 62 3.085 0.981 -0.429 1.00 0.00 N ATOM 902 CA VAL A 62 2.988 2.450 -0.382 1.00 0.00 C ATOM 903 C VAL A 62 3.396 2.957 0.999 1.00 0.00 C ATOM 904 O VAL A 62 2.869 2.497 2.008 1.00 0.00 O ATOM 905 CB VAL A 62 1.572 2.943 -0.740 1.00 0.00 C ATOM 906 CG1 VAL A 62 1.568 4.466 -0.882 1.00 0.00 C ATOM 907 CG2 VAL A 62 1.047 2.324 -2.042 1.00 0.00 C ATOM 0 H VAL A 62 2.655 0.526 0.376 1.00 0.00 H new ATOM 0 HA VAL A 62 3.671 2.853 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 62 0.915 2.631 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.563 4.805 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.878 4.920 0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.260 4.760 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.047 2.704 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.712 2.588 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.009 1.239 -1.940 1.00 0.00 H new ATOM 917 N GLU A 63 4.335 3.897 1.056 1.00 0.00 N ATOM 918 CA GLU A 63 4.889 4.451 2.294 1.00 0.00 C ATOM 919 C GLU A 63 4.313 5.838 2.581 1.00 0.00 C ATOM 920 O GLU A 63 4.494 6.771 1.796 1.00 0.00 O ATOM 921 CB GLU A 63 6.415 4.487 2.176 1.00 0.00 C ATOM 922 CG GLU A 63 7.117 4.902 3.475 1.00 0.00 C ATOM 923 CD GLU A 63 8.639 4.661 3.443 1.00 0.00 C ATOM 924 OE1 GLU A 63 9.334 5.111 4.383 1.00 0.00 O ATOM 925 OE2 GLU A 63 9.174 3.983 2.532 1.00 0.00 O ATOM 0 H GLU A 63 4.746 4.309 0.218 1.00 0.00 H new ATOM 0 HA GLU A 63 4.612 3.817 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.772 3.501 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.694 5.181 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.926 5.959 3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.685 4.347 4.308 1.00 0.00 H new ATOM 932 N PHE A 64 3.643 5.985 3.719 1.00 0.00 N ATOM 933 CA PHE A 64 3.083 7.241 4.207 1.00 0.00 C ATOM 934 C PHE A 64 4.017 7.953 5.186 1.00 0.00 C ATOM 935 O PHE A 64 4.932 7.357 5.763 1.00 0.00 O ATOM 936 CB PHE A 64 1.720 6.976 4.853 1.00 0.00 C ATOM 937 CG PHE A 64 0.661 6.587 3.851 1.00 0.00 C ATOM 938 CD1 PHE A 64 -0.046 7.600 3.181 1.00 0.00 C ATOM 939 CD2 PHE A 64 0.408 5.235 3.556 1.00 0.00 C ATOM 940 CE1 PHE A 64 -1.023 7.263 2.234 1.00 0.00 C ATOM 941 CE2 PHE A 64 -0.568 4.897 2.603 1.00 0.00 C ATOM 942 CZ PHE A 64 -1.287 5.915 1.950 1.00 0.00 C ATOM 0 H PHE A 64 3.468 5.203 4.351 1.00 0.00 H new ATOM 0 HA PHE A 64 2.960 7.907 3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.822 6.182 5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.397 7.869 5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.163 8.638 3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.963 4.458 4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.572 8.041 1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.765 3.860 2.373 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.046 5.657 1.226 1.00 0.00 H new ATOM 952 N LEU A 65 3.754 9.244 5.405 1.00 0.00 N ATOM 953 CA LEU A 65 4.480 10.058 6.380 1.00 0.00 C ATOM 954 C LEU A 65 4.287 9.555 7.824 1.00 0.00 C ATOM 955 O LEU A 65 5.210 9.652 8.637 1.00 0.00 O ATOM 956 CB LEU A 65 4.009 11.513 6.228 1.00 0.00 C ATOM 957 CG LEU A 65 4.953 12.540 6.877 1.00 0.00 C ATOM 958 CD1 LEU A 65 6.208 12.758 6.032 1.00 0.00 C ATOM 959 CD2 LEU A 65 4.240 13.885 7.014 1.00 0.00 C ATOM 0 H LEU A 65 3.026 9.756 4.907 1.00 0.00 H new ATOM 0 HA LEU A 65 5.549 9.984 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.909 11.744 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.018 11.613 6.671 1.00 0.00 H new ATOM 0 HG LEU A 65 5.239 12.148 7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.853 13.489 6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.744 11.815 5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.923 13.126 5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.913 14.608 7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.943 14.242 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.354 13.765 7.638 1.00 0.00 H new ATOM 971 N SER A 66 3.108 8.999 8.135 1.00 0.00 N ATOM 972 CA SER A 66 2.742 8.552 9.488 1.00 0.00 C ATOM 973 C SER A 66 1.866 7.301 9.484 1.00 0.00 C ATOM 974 O SER A 66 1.178 6.975 8.517 1.00 0.00 O ATOM 975 CB SER A 66 2.038 9.679 10.266 1.00 0.00 C ATOM 976 OG SER A 66 2.760 10.904 10.234 1.00 0.00 O ATOM 0 H SER A 66 2.372 8.845 7.446 1.00 0.00 H new ATOM 0 HA SER A 66 3.676 8.293 9.986 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.044 9.837 9.848 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.902 9.369 11.302 1.00 0.00 H new ATOM 0 HG SER A 66 2.270 11.586 10.740 1.00 0.00 H new ATOM 982 N GLU A 67 1.888 6.595 10.610 1.00 0.00 N ATOM 983 CA GLU A 67 1.208 5.313 10.808 1.00 0.00 C ATOM 984 C GLU A 67 -0.324 5.415 10.725 1.00 0.00 C ATOM 985 O GLU A 67 -0.979 4.493 10.240 1.00 0.00 O ATOM 986 CB GLU A 67 1.611 4.790 12.187 1.00 0.00 C ATOM 987 CG GLU A 67 3.092 4.400 12.291 1.00 0.00 C ATOM 988 CD GLU A 67 3.445 3.966 13.728 1.00 0.00 C ATOM 989 OE1 GLU A 67 4.221 4.682 14.406 1.00 0.00 O ATOM 990 OE2 GLU A 67 2.946 2.911 14.188 1.00 0.00 O ATOM 0 H GLU A 67 2.395 6.907 11.438 1.00 0.00 H new ATOM 0 HA GLU A 67 1.510 4.639 10.006 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.392 5.554 12.933 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.998 3.922 12.430 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.308 3.587 11.598 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.716 5.244 11.998 1.00 0.00 H new ATOM 997 N GLU A 68 -0.899 6.545 11.149 1.00 0.00 N ATOM 998 CA GLU A 68 -2.343 6.809 11.069 1.00 0.00 C ATOM 999 C GLU A 68 -2.837 7.027 9.626 1.00 0.00 C ATOM 1000 O GLU A 68 -3.984 6.716 9.307 1.00 0.00 O ATOM 1001 CB GLU A 68 -2.714 7.987 11.987 1.00 0.00 C ATOM 1002 CG GLU A 68 -2.072 9.328 11.595 1.00 0.00 C ATOM 1003 CD GLU A 68 -2.450 10.429 12.605 1.00 0.00 C ATOM 1004 OE1 GLU A 68 -3.516 11.073 12.442 1.00 0.00 O ATOM 1005 OE2 GLU A 68 -1.683 10.660 13.573 1.00 0.00 O ATOM 0 H GLU A 68 -0.370 7.313 11.563 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.860 5.916 11.420 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.798 8.104 11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.420 7.742 13.008 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.988 9.220 11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.400 9.616 10.596 1.00 0.00 H new ATOM 1012 N ASP A 69 -1.961 7.497 8.732 1.00 0.00 N ATOM 1013 CA ASP A 69 -2.246 7.627 7.300 1.00 0.00 C ATOM 1014 C ASP A 69 -2.203 6.257 6.599 1.00 0.00 C ATOM 1015 O ASP A 69 -3.019 5.991 5.712 1.00 0.00 O ATOM 1016 CB ASP A 69 -1.254 8.616 6.673 1.00 0.00 C ATOM 1017 CG ASP A 69 -1.444 10.046 7.204 1.00 0.00 C ATOM 1018 OD1 ASP A 69 -0.476 10.610 7.765 1.00 0.00 O ATOM 1019 OD2 ASP A 69 -2.546 10.619 7.037 1.00 0.00 O ATOM 0 H ASP A 69 -1.021 7.802 8.987 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.256 8.015 7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.236 8.286 6.879 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.377 8.613 5.590 1.00 0.00 H new ATOM 1024 N ALA A 70 -1.331 5.349 7.059 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.324 3.956 6.613 1.00 0.00 C ATOM 1026 C ALA A 70 -2.592 3.213 7.074 1.00 0.00 C ATOM 1027 O ALA A 70 -3.255 2.571 6.261 1.00 0.00 O ATOM 1028 CB ALA A 70 -0.039 3.281 7.118 1.00 0.00 C ATOM 0 H ALA A 70 -0.612 5.563 7.750 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.333 3.920 5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.022 2.241 6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.829 3.802 6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.011 3.320 8.207 1.00 0.00 H new ATOM 1034 N ASP A 71 -2.993 3.363 8.343 1.00 0.00 N ATOM 1035 CA ASP A 71 -4.252 2.807 8.872 1.00 0.00 C ATOM 1036 C ASP A 71 -5.484 3.257 8.063 1.00 0.00 C ATOM 1037 O ASP A 71 -6.406 2.470 7.838 1.00 0.00 O ATOM 1038 CB ASP A 71 -4.425 3.207 10.349 1.00 0.00 C ATOM 1039 CG ASP A 71 -4.011 2.074 11.299 1.00 0.00 C ATOM 1040 OD1 ASP A 71 -4.893 1.494 11.974 1.00 0.00 O ATOM 1041 OD2 ASP A 71 -2.800 1.761 11.366 1.00 0.00 O ATOM 0 H ASP A 71 -2.452 3.876 9.039 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.184 1.723 8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.826 4.094 10.558 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.465 3.474 10.534 1.00 0.00 H new ATOM 1046 N TYR A 72 -5.488 4.503 7.573 1.00 0.00 N ATOM 1047 CA TYR A 72 -6.574 5.037 6.748 1.00 0.00 C ATOM 1048 C TYR A 72 -6.555 4.464 5.324 1.00 0.00 C ATOM 1049 O TYR A 72 -7.609 4.144 4.778 1.00 0.00 O ATOM 1050 CB TYR A 72 -6.513 6.570 6.743 1.00 0.00 C ATOM 1051 CG TYR A 72 -7.792 7.227 6.248 1.00 0.00 C ATOM 1052 CD1 TYR A 72 -8.728 7.732 7.172 1.00 0.00 C ATOM 1053 CD2 TYR A 72 -8.052 7.323 4.868 1.00 0.00 C ATOM 1054 CE1 TYR A 72 -9.916 8.338 6.716 1.00 0.00 C ATOM 1055 CE2 TYR A 72 -9.231 7.939 4.405 1.00 0.00 C ATOM 1056 CZ TYR A 72 -10.169 8.448 5.331 1.00 0.00 C ATOM 1057 OH TYR A 72 -11.316 9.041 4.899 1.00 0.00 O ATOM 0 H TYR A 72 -4.734 5.170 7.739 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.522 4.725 7.187 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.302 6.920 7.753 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.682 6.891 6.114 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.535 7.655 8.232 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.343 6.922 4.159 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.634 8.719 7.427 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.418 8.022 3.345 1.00 0.00 H new ATOM 0 HH TYR A 72 -11.337 9.037 3.919 1.00 0.00 H new ATOM 1067 N ALA A 73 -5.382 4.253 4.719 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.281 3.641 3.393 1.00 0.00 C ATOM 1069 C ALA A 73 -5.769 2.184 3.406 1.00 0.00 C ATOM 1070 O ALA A 73 -6.456 1.755 2.480 1.00 0.00 O ATOM 1071 CB ALA A 73 -3.835 3.767 2.914 1.00 0.00 C ATOM 0 H ALA A 73 -4.483 4.500 5.132 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.933 4.163 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.738 3.316 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.560 4.820 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.174 3.254 3.613 1.00 0.00 H new ATOM 1077 N ILE A 74 -5.513 1.455 4.494 1.00 0.00 N ATOM 1078 CA ILE A 74 -6.045 0.102 4.730 1.00 0.00 C ATOM 1079 C ILE A 74 -7.580 0.124 4.844 1.00 0.00 C ATOM 1080 O ILE A 74 -8.246 -0.795 4.367 1.00 0.00 O ATOM 1081 CB ILE A 74 -5.378 -0.503 5.987 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -3.849 -0.605 5.790 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -5.956 -1.893 6.307 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -3.075 -0.774 7.095 1.00 0.00 C ATOM 0 H ILE A 74 -4.920 1.790 5.253 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.805 -0.533 3.877 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.587 0.160 6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.631 -1.449 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.496 0.292 5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.468 -2.294 7.196 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.028 -1.809 6.488 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.782 -2.562 5.464 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.008 -0.839 6.880 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.263 0.082 7.743 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.400 -1.686 7.595 1.00 0.00 H new ATOM 1096 N LYS A 75 -8.157 1.191 5.412 1.00 0.00 N ATOM 1097 CA LYS A 75 -9.612 1.378 5.526 1.00 0.00 C ATOM 1098 C LYS A 75 -10.285 1.599 4.164 1.00 0.00 C ATOM 1099 O LYS A 75 -11.346 1.020 3.927 1.00 0.00 O ATOM 1100 CB LYS A 75 -9.899 2.514 6.526 1.00 0.00 C ATOM 1101 CG LYS A 75 -11.398 2.752 6.751 1.00 0.00 C ATOM 1102 CD LYS A 75 -11.625 3.792 7.860 1.00 0.00 C ATOM 1103 CE LYS A 75 -13.110 4.131 8.056 1.00 0.00 C ATOM 1104 NZ LYS A 75 -13.885 2.997 8.630 1.00 0.00 N ATOM 0 H LYS A 75 -7.620 1.960 5.811 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.055 0.459 5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.427 2.278 7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.441 3.434 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.859 3.095 5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.883 1.814 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.216 3.414 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.077 4.702 7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.198 4.996 8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.544 4.414 7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.880 3.278 8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.826 2.178 7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.491 2.742 9.558 1.00 0.00 H new ATOM 1118 N ILE A 76 -9.686 2.394 3.267 1.00 0.00 N ATOM 1119 CA ILE A 76 -10.305 2.744 1.977 1.00 0.00 C ATOM 1120 C ILE A 76 -9.930 1.822 0.803 1.00 0.00 C ATOM 1121 O ILE A 76 -10.801 1.520 -0.008 1.00 0.00 O ATOM 1122 CB ILE A 76 -10.081 4.229 1.617 1.00 0.00 C ATOM 1123 CG1 ILE A 76 -8.598 4.641 1.522 1.00 0.00 C ATOM 1124 CG2 ILE A 76 -10.807 5.127 2.634 1.00 0.00 C ATOM 1125 CD1 ILE A 76 -8.401 5.916 0.705 1.00 0.00 C ATOM 0 H ILE A 76 -8.766 2.811 3.411 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.371 2.579 2.135 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.495 4.362 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.200 4.790 2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.026 3.831 1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.646 6.174 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.875 4.909 2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.415 4.936 3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.340 6.164 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.773 5.760 -0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.949 6.735 1.171 1.00 0.00 H new ATOM 1137 N MET A 77 -8.680 1.353 0.698 1.00 0.00 N ATOM 1138 CA MET A 77 -8.165 0.646 -0.496 1.00 0.00 C ATOM 1139 C MET A 77 -8.318 -0.880 -0.458 1.00 0.00 C ATOM 1140 O MET A 77 -7.943 -1.573 -1.401 1.00 0.00 O ATOM 1141 CB MET A 77 -6.725 1.072 -0.804 1.00 0.00 C ATOM 1142 CG MET A 77 -6.622 2.512 -1.307 1.00 0.00 C ATOM 1143 SD MET A 77 -7.062 2.711 -3.052 1.00 0.00 S ATOM 1144 CE MET A 77 -6.507 4.416 -3.281 1.00 0.00 C ATOM 0 H MET A 77 -7.988 1.451 1.441 1.00 0.00 H new ATOM 0 HA MET A 77 -8.807 0.958 -1.320 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.120 0.963 0.096 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.306 0.400 -1.553 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.273 3.145 -0.704 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.603 2.867 -1.156 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.186 4.931 -3.961 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.499 4.928 -2.319 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.501 4.418 -3.702 1.00 0.00 H new ATOM 1154 N ASP A 78 -8.894 -1.417 0.609 1.00 0.00 N ATOM 1155 CA ASP A 78 -9.109 -2.857 0.770 1.00 0.00 C ATOM 1156 C ASP A 78 -10.421 -3.322 0.115 1.00 0.00 C ATOM 1157 O ASP A 78 -11.451 -2.650 0.215 1.00 0.00 O ATOM 1158 CB ASP A 78 -9.028 -3.240 2.251 1.00 0.00 C ATOM 1159 CG ASP A 78 -9.007 -4.758 2.438 1.00 0.00 C ATOM 1160 OD1 ASP A 78 -8.065 -5.403 1.919 1.00 0.00 O ATOM 1161 OD2 ASP A 78 -9.911 -5.304 3.111 1.00 0.00 O ATOM 0 H ASP A 78 -9.230 -0.864 1.397 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.312 -3.383 0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.130 -2.806 2.691 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.880 -2.819 2.784 1.00 0.00 H new ATOM 1166 N MET A 79 -10.374 -4.465 -0.579 1.00 0.00 N ATOM 1167 CA MET A 79 -11.442 -5.006 -1.443 1.00 0.00 C ATOM 1168 C MET A 79 -11.859 -4.091 -2.622 1.00 0.00 C ATOM 1169 O MET A 79 -12.835 -4.380 -3.320 1.00 0.00 O ATOM 1170 CB MET A 79 -12.646 -5.515 -0.624 1.00 0.00 C ATOM 1171 CG MET A 79 -12.253 -6.583 0.402 1.00 0.00 C ATOM 1172 SD MET A 79 -11.535 -8.091 -0.310 1.00 0.00 S ATOM 1173 CE MET A 79 -10.944 -8.849 1.222 1.00 0.00 C ATOM 0 H MET A 79 -9.553 -5.070 -0.556 1.00 0.00 H new ATOM 0 HA MET A 79 -10.992 -5.870 -1.933 1.00 0.00 H new ATOM 0 HB2 MET A 79 -13.111 -4.675 -0.108 1.00 0.00 H new ATOM 0 HB3 MET A 79 -13.394 -5.926 -1.302 1.00 0.00 H new ATOM 0 HG2 MET A 79 -11.536 -6.150 1.100 1.00 0.00 H new ATOM 0 HG3 MET A 79 -13.136 -6.855 0.980 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.464 -9.801 0.995 1.00 0.00 H new ATOM 0 HE2 MET A 79 -10.225 -8.185 1.703 1.00 0.00 H new ATOM 0 HE3 MET A 79 -11.786 -9.018 1.893 1.00 0.00 H new ATOM 1183 N ILE A 80 -11.114 -3.010 -2.883 1.00 0.00 N ATOM 1184 CA ILE A 80 -11.236 -2.172 -4.086 1.00 0.00 C ATOM 1185 C ILE A 80 -10.781 -2.959 -5.325 1.00 0.00 C ATOM 1186 O ILE A 80 -9.947 -3.857 -5.226 1.00 0.00 O ATOM 1187 CB ILE A 80 -10.477 -0.834 -3.870 1.00 0.00 C ATOM 1188 CG1 ILE A 80 -11.430 0.181 -3.195 1.00 0.00 C ATOM 1189 CG2 ILE A 80 -9.811 -0.255 -5.127 1.00 0.00 C ATOM 1190 CD1 ILE A 80 -10.912 1.625 -3.128 1.00 0.00 C ATOM 0 H ILE A 80 -10.388 -2.683 -2.245 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.278 -1.907 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.633 -1.050 -3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.378 0.177 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.638 -0.160 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.307 0.678 -4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.083 -0.968 -5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.570 -0.064 -5.886 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.654 2.255 -2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.981 1.652 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.733 1.994 -4.138 1.00 0.00 H new ATOM 1202 N LYS A 81 -11.316 -2.624 -6.503 1.00 0.00 N ATOM 1203 CA LYS A 81 -11.049 -3.309 -7.778 1.00 0.00 C ATOM 1204 C LYS A 81 -10.279 -2.422 -8.765 1.00 0.00 C ATOM 1205 O LYS A 81 -10.822 -1.991 -9.785 1.00 0.00 O ATOM 1206 CB LYS A 81 -12.374 -3.844 -8.342 1.00 0.00 C ATOM 1207 CG LYS A 81 -13.009 -4.911 -7.431 1.00 0.00 C ATOM 1208 CD LYS A 81 -14.226 -5.598 -8.067 1.00 0.00 C ATOM 1209 CE LYS A 81 -13.815 -6.603 -9.151 1.00 0.00 C ATOM 1210 NZ LYS A 81 -15.000 -7.180 -9.840 1.00 0.00 N ATOM 0 H LYS A 81 -11.967 -1.845 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.388 -4.157 -7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.072 -3.017 -8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.200 -4.270 -9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.260 -5.664 -7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.311 -4.446 -6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.798 -6.112 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.883 -4.844 -8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.173 -6.110 -9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.229 -7.404 -8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.685 -7.855 -10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.599 -7.672 -9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.546 -6.417 -10.290 1.00 0.00 H new ATOM 1224 N LEU A 82 -9.003 -2.160 -8.472 1.00 0.00 N ATOM 1225 CA LEU A 82 -8.090 -1.414 -9.355 1.00 0.00 C ATOM 1226 C LEU A 82 -7.996 -2.114 -10.726 1.00 0.00 C ATOM 1227 O LEU A 82 -7.735 -3.317 -10.780 1.00 0.00 O ATOM 1228 CB LEU A 82 -6.724 -1.288 -8.647 1.00 0.00 C ATOM 1229 CG LEU A 82 -5.674 -0.426 -9.372 1.00 0.00 C ATOM 1230 CD1 LEU A 82 -6.186 0.981 -9.687 1.00 0.00 C ATOM 1231 CD2 LEU A 82 -4.436 -0.295 -8.482 1.00 0.00 C ATOM 0 H LEU A 82 -8.564 -2.463 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.463 -0.408 -9.549 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.887 -0.870 -7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.313 -2.288 -8.508 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.443 -0.922 -10.315 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.406 1.546 -10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.065 0.913 -10.329 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.452 1.487 -8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.687 0.314 -8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.713 0.179 -7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.025 -1.285 -8.283 1.00 0.00 H new ATOM 1243 N TYR A 83 -8.269 -1.395 -11.826 1.00 0.00 N ATOM 1244 CA TYR A 83 -8.449 -1.989 -13.169 1.00 0.00 C ATOM 1245 C TYR A 83 -9.360 -3.254 -13.249 1.00 0.00 C ATOM 1246 O TYR A 83 -9.174 -4.096 -14.132 1.00 0.00 O ATOM 1247 CB TYR A 83 -7.079 -2.207 -13.839 1.00 0.00 C ATOM 1248 CG TYR A 83 -6.248 -0.956 -14.048 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -5.003 -0.822 -13.407 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -6.691 0.042 -14.939 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -4.190 0.298 -13.669 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -5.884 1.166 -15.197 1.00 0.00 C ATOM 1253 CZ TYR A 83 -4.627 1.294 -14.568 1.00 0.00 C ATOM 1254 OH TYR A 83 -3.841 2.369 -14.851 1.00 0.00 O ATOM 0 H TYR A 83 -8.372 -0.380 -11.814 1.00 0.00 H new ATOM 0 HA TYR A 83 -9.021 -1.252 -13.733 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.504 -2.907 -13.232 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.239 -2.682 -14.807 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.670 -1.579 -12.713 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.651 -0.056 -15.424 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.231 0.395 -13.181 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -6.227 1.932 -15.877 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.301 2.952 -15.490 1.00 0.00 H new ATOM 1264 N GLY A 84 -10.352 -3.417 -12.359 1.00 0.00 N ATOM 1265 CA GLY A 84 -11.310 -4.540 -12.393 1.00 0.00 C ATOM 1266 C GLY A 84 -10.800 -5.878 -11.821 1.00 0.00 C ATOM 1267 O GLY A 84 -11.285 -6.940 -12.218 1.00 0.00 O ATOM 0 H GLY A 84 -10.515 -2.769 -11.588 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.203 -4.247 -11.840 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.614 -4.702 -13.427 1.00 0.00 H new ATOM 1271 N LYS A 85 -9.839 -5.838 -10.889 1.00 0.00 N ATOM 1272 CA LYS A 85 -9.186 -6.962 -10.208 1.00 0.00 C ATOM 1273 C LYS A 85 -9.065 -6.602 -8.713 1.00 0.00 C ATOM 1274 O LYS A 85 -8.486 -5.558 -8.401 1.00 0.00 O ATOM 1275 CB LYS A 85 -7.810 -7.196 -10.857 1.00 0.00 C ATOM 1276 CG LYS A 85 -7.083 -8.415 -10.268 1.00 0.00 C ATOM 1277 CD LYS A 85 -5.701 -8.589 -10.914 1.00 0.00 C ATOM 1278 CE LYS A 85 -4.973 -9.782 -10.286 1.00 0.00 C ATOM 1279 NZ LYS A 85 -3.618 -9.969 -10.872 1.00 0.00 N ATOM 0 H LYS A 85 -9.468 -4.944 -10.566 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.760 -7.884 -10.299 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.937 -7.336 -11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.192 -6.308 -10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.973 -8.293 -9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.680 -9.313 -10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.810 -8.743 -11.988 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.112 -7.682 -10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.887 -9.631 -9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.562 -10.687 -10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.142 -10.764 -10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.704 -10.172 -11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.059 -9.102 -10.738 1.00 0.00 H new ATOM 1293 N PRO A 86 -9.650 -7.383 -7.788 1.00 0.00 N ATOM 1294 CA PRO A 86 -9.745 -7.008 -6.377 1.00 0.00 C ATOM 1295 C PRO A 86 -8.383 -7.041 -5.667 1.00 0.00 C ATOM 1296 O PRO A 86 -7.682 -8.057 -5.690 1.00 0.00 O ATOM 1297 CB PRO A 86 -10.777 -7.956 -5.758 1.00 0.00 C ATOM 1298 CG PRO A 86 -10.771 -9.169 -6.687 1.00 0.00 C ATOM 1299 CD PRO A 86 -10.447 -8.565 -8.051 1.00 0.00 C ATOM 0 HA PRO A 86 -10.066 -5.972 -6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.504 -8.232 -4.739 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.764 -7.495 -5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.025 -9.903 -6.385 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.735 -9.677 -6.691 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.899 -9.274 -8.671 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.359 -8.308 -8.590 1.00 0.00 H new ATOM 1307 N ILE A 87 -8.031 -5.931 -5.011 1.00 0.00 N ATOM 1308 CA ILE A 87 -6.808 -5.762 -4.216 1.00 0.00 C ATOM 1309 C ILE A 87 -7.062 -5.949 -2.713 1.00 0.00 C ATOM 1310 O ILE A 87 -8.115 -5.578 -2.183 1.00 0.00 O ATOM 1311 CB ILE A 87 -6.074 -4.433 -4.520 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -6.950 -3.173 -4.352 1.00 0.00 C ATOM 1313 CG2 ILE A 87 -5.482 -4.483 -5.937 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -6.143 -1.880 -4.171 1.00 0.00 C ATOM 0 H ILE A 87 -8.612 -5.092 -5.019 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.134 -6.561 -4.526 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.283 -4.343 -3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.594 -3.070 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.603 -3.307 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.966 -3.547 -6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.776 -5.310 -6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.284 -4.627 -6.661 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.826 -1.038 -4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.519 -1.962 -3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.510 -1.721 -5.044 1.00 0.00 H new ATOM 1326 N ARG A 88 -6.070 -6.516 -2.020 1.00 0.00 N ATOM 1327 CA ARG A 88 -6.054 -6.775 -0.573 1.00 0.00 C ATOM 1328 C ARG A 88 -4.978 -5.912 0.089 1.00 0.00 C ATOM 1329 O ARG A 88 -3.836 -5.907 -0.376 1.00 0.00 O ATOM 1330 CB ARG A 88 -5.817 -8.280 -0.353 1.00 0.00 C ATOM 1331 CG ARG A 88 -5.939 -8.736 1.109 1.00 0.00 C ATOM 1332 CD ARG A 88 -7.393 -8.753 1.602 1.00 0.00 C ATOM 1333 NE ARG A 88 -7.462 -9.160 3.019 1.00 0.00 N ATOM 1334 CZ ARG A 88 -7.295 -8.379 4.073 1.00 0.00 C ATOM 1335 NH1 ARG A 88 -7.217 -7.086 3.981 1.00 0.00 N ATOM 1336 NH2 ARG A 88 -7.191 -8.899 5.264 1.00 0.00 N ATOM 0 H ARG A 88 -5.210 -6.824 -2.475 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.006 -6.508 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.532 -8.840 -0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.823 -8.536 -0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.513 -9.734 1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.352 -8.072 1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.834 -7.764 1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -7.980 -9.440 0.993 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.658 -10.144 3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.285 -6.635 3.069 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.088 -6.522 4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.238 -9.911 5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.062 -8.294 6.075 1.00 0.00 H new ATOM 1350 N VAL A 89 -5.331 -5.182 1.149 1.00 0.00 N ATOM 1351 CA VAL A 89 -4.469 -4.163 1.777 1.00 0.00 C ATOM 1352 C VAL A 89 -4.339 -4.381 3.288 1.00 0.00 C ATOM 1353 O VAL A 89 -5.324 -4.635 3.980 1.00 0.00 O ATOM 1354 CB VAL A 89 -4.957 -2.735 1.441 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -3.979 -1.650 1.908 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -5.113 -2.543 -0.073 1.00 0.00 C ATOM 0 H VAL A 89 -6.237 -5.279 1.607 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.470 -4.274 1.356 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.909 -2.633 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.373 -0.668 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.854 -1.714 2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.014 -1.796 1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.457 -1.529 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.152 -2.705 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.841 -3.258 -0.457 1.00 0.00 H new ATOM 1366 N ASN A 90 -3.112 -4.264 3.801 1.00 0.00 N ATOM 1367 CA ASN A 90 -2.756 -4.345 5.227 1.00 0.00 C ATOM 1368 C ASN A 90 -1.462 -3.556 5.509 1.00 0.00 C ATOM 1369 O ASN A 90 -0.798 -3.091 4.583 1.00 0.00 O ATOM 1370 CB ASN A 90 -2.635 -5.826 5.664 1.00 0.00 C ATOM 1371 CG ASN A 90 -1.769 -6.691 4.760 1.00 0.00 C ATOM 1372 OD1 ASN A 90 -2.260 -7.403 3.897 1.00 0.00 O ATOM 1373 ND2 ASN A 90 -0.465 -6.679 4.921 1.00 0.00 N ATOM 0 H ASN A 90 -2.298 -4.102 3.208 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.549 -3.888 5.818 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.227 -5.860 6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.634 -6.259 5.709 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.127 -7.261 4.328 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.045 -6.088 5.639 1.00 0.00 H new ATOM 1380 N LYS A 91 -1.072 -3.424 6.784 1.00 0.00 N ATOM 1381 CA LYS A 91 0.237 -2.868 7.191 1.00 0.00 C ATOM 1382 C LYS A 91 1.362 -3.699 6.554 1.00 0.00 C ATOM 1383 O LYS A 91 1.233 -4.922 6.460 1.00 0.00 O ATOM 1384 CB LYS A 91 0.374 -2.883 8.731 1.00 0.00 C ATOM 1385 CG LYS A 91 -0.779 -2.237 9.525 1.00 0.00 C ATOM 1386 CD LYS A 91 -0.815 -0.698 9.522 1.00 0.00 C ATOM 1387 CE LYS A 91 0.059 -0.125 10.640 1.00 0.00 C ATOM 1388 NZ LYS A 91 -0.147 1.332 10.815 1.00 0.00 N ATOM 0 H LYS A 91 -1.657 -3.701 7.573 1.00 0.00 H new ATOM 0 HA LYS A 91 0.309 -1.835 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.475 -3.919 9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.300 -2.374 8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.723 -2.604 9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.719 -2.578 10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.469 -0.325 8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.842 -0.355 9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.166 -0.638 11.575 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.108 -0.318 10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.165 1.615 11.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.406 1.849 10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.156 1.556 10.700 1.00 0.00 H new ATOM 1402 N ALA A 92 2.467 -3.076 6.139 1.00 0.00 N ATOM 1403 CA ALA A 92 3.603 -3.787 5.531 1.00 0.00 C ATOM 1404 C ALA A 92 4.383 -4.658 6.540 1.00 0.00 C ATOM 1405 O ALA A 92 5.196 -5.493 6.142 1.00 0.00 O ATOM 1406 CB ALA A 92 4.504 -2.774 4.823 1.00 0.00 C ATOM 0 H ALA A 92 2.603 -2.068 6.213 1.00 0.00 H new ATOM 0 HA ALA A 92 3.212 -4.493 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.349 -3.293 4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.935 -2.260 4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.871 -2.046 5.546 1.00 0.00 H new ATOM 1412 N SER A 93 4.147 -4.463 7.841 1.00 0.00 N ATOM 1413 CA SER A 93 4.563 -5.348 8.934 1.00 0.00 C ATOM 1414 C SER A 93 3.421 -5.429 9.949 1.00 0.00 C ATOM 1415 O SER A 93 2.881 -4.400 10.360 1.00 0.00 O ATOM 1416 CB SER A 93 5.851 -4.868 9.600 1.00 0.00 C ATOM 1417 OG SER A 93 6.274 -5.854 10.525 1.00 0.00 O ATOM 0 H SER A 93 3.637 -3.646 8.177 1.00 0.00 H new ATOM 0 HA SER A 93 4.777 -6.337 8.529 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.623 -4.696 8.850 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.683 -3.919 10.109 1.00 0.00 H new ATOM 0 HG SER A 93 7.102 -5.561 10.960 1.00 0.00 H new ATOM 1423 N ALA A 94 3.022 -6.648 10.320 1.00 0.00 N ATOM 1424 CA ALA A 94 1.833 -6.926 11.137 1.00 0.00 C ATOM 1425 C ALA A 94 2.114 -7.942 12.270 1.00 0.00 C ATOM 1426 O ALA A 94 1.205 -8.602 12.774 1.00 0.00 O ATOM 1427 CB ALA A 94 0.699 -7.352 10.191 1.00 0.00 C ATOM 0 H ALA A 94 3.529 -7.493 10.055 1.00 0.00 H new ATOM 0 HA ALA A 94 1.527 -6.025 11.669 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.198 -7.565 10.772 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.492 -6.547 9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.998 -8.246 9.644 1.00 0.00 H new ATOM 1433 N HIS A 95 3.383 -8.082 12.674 1.00 0.00 N ATOM 1434 CA HIS A 95 3.868 -9.106 13.616 1.00 0.00 C ATOM 1435 C HIS A 95 3.801 -8.667 15.092 1.00 0.00 C ATOM 1436 O HIS A 95 4.688 -8.974 15.887 1.00 0.00 O ATOM 1437 CB HIS A 95 5.257 -9.600 13.176 1.00 0.00 C ATOM 1438 CG HIS A 95 5.257 -10.196 11.790 1.00 0.00 C ATOM 1439 ND1 HIS A 95 4.909 -11.513 11.474 1.00 0.00 N ATOM 1440 CD2 HIS A 95 5.556 -9.528 10.637 1.00 0.00 C ATOM 1441 CE1 HIS A 95 5.013 -11.609 10.136 1.00 0.00 C ATOM 1442 NE2 HIS A 95 5.399 -10.434 9.609 1.00 0.00 N ATOM 0 H HIS A 95 4.127 -7.467 12.345 1.00 0.00 H new ATOM 0 HA HIS A 95 3.185 -9.954 13.574 1.00 0.00 H new ATOM 0 HB2 HIS A 95 5.960 -8.768 13.208 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.614 -10.346 13.887 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.856 -8.494 10.548 1.00 0.00 H new ATOM 0 HE1 HIS A 95 4.814 -12.504 9.565 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.550 -10.245 8.618 1.00 0.00 H new ATOM 1450 N ASN A 96 2.737 -7.954 15.479 1.00 0.00 N ATOM 1451 CA ASN A 96 2.454 -7.514 16.856 1.00 0.00 C ATOM 1452 C ASN A 96 1.917 -8.660 17.753 1.00 0.00 C ATOM 1453 O ASN A 96 0.912 -8.523 18.454 1.00 0.00 O ATOM 1454 CB ASN A 96 1.563 -6.253 16.825 1.00 0.00 C ATOM 1455 CG ASN A 96 0.150 -6.454 16.285 1.00 0.00 C ATOM 1456 OD1 ASN A 96 -0.200 -7.454 15.677 1.00 0.00 O ATOM 1457 ND2 ASN A 96 -0.708 -5.475 16.464 1.00 0.00 N ATOM 0 H ASN A 96 2.020 -7.655 14.818 1.00 0.00 H new ATOM 0 HA ASN A 96 3.390 -7.231 17.338 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.492 -5.856 17.838 1.00 0.00 H new ATOM 0 HB3 ASN A 96 2.059 -5.495 16.219 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.656 -5.554 16.097 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.426 -4.636 16.970 1.00 0.00 H new ATOM 1464 N LYS A 97 2.593 -9.818 17.708 1.00 0.00 N ATOM 1465 CA LYS A 97 2.174 -11.110 18.290 1.00 0.00 C ATOM 1466 C LYS A 97 2.187 -11.147 19.827 1.00 0.00 C ATOM 1467 O LYS A 97 1.573 -12.031 20.425 1.00 0.00 O ATOM 1468 CB LYS A 97 3.062 -12.222 17.696 1.00 0.00 C ATOM 1469 CG LYS A 97 2.860 -12.385 16.177 1.00 0.00 C ATOM 1470 CD LYS A 97 3.875 -13.361 15.569 1.00 0.00 C ATOM 1471 CE LYS A 97 3.665 -13.444 14.051 1.00 0.00 C ATOM 1472 NZ LYS A 97 4.699 -14.283 13.393 1.00 0.00 N ATOM 0 H LYS A 97 3.497 -9.886 17.240 1.00 0.00 H new ATOM 0 HA LYS A 97 1.128 -11.266 18.024 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.109 -11.995 17.898 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.839 -13.166 18.193 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.849 -12.743 15.981 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.954 -11.414 15.691 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.890 -13.029 15.788 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.759 -14.348 16.017 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.677 -13.856 13.843 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.688 -12.440 13.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.128 -13.753 12.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.435 -14.533 14.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.260 -15.151 13.026 1.00 0.00 H new ATOM 1486 N ASN A 98 2.849 -10.178 20.464 1.00 0.00 N ATOM 1487 CA ASN A 98 2.813 -9.913 21.903 1.00 0.00 C ATOM 1488 C ASN A 98 2.620 -8.403 22.155 1.00 0.00 C ATOM 1489 O ASN A 98 3.236 -7.576 21.476 1.00 0.00 O ATOM 1490 CB ASN A 98 4.102 -10.461 22.540 1.00 0.00 C ATOM 1491 CG ASN A 98 4.165 -10.203 24.036 1.00 0.00 C ATOM 1492 OD1 ASN A 98 4.859 -9.315 24.511 1.00 0.00 O ATOM 1493 ND2 ASN A 98 3.424 -10.951 24.825 1.00 0.00 N ATOM 0 H ASN A 98 3.454 -9.526 19.965 1.00 0.00 H new ATOM 0 HA ASN A 98 1.967 -10.419 22.369 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.167 -11.533 22.356 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.965 -10.002 22.058 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.429 -10.790 25.832 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.845 -11.692 24.429 1.00 0.00 H new ATOM 1500 N LEU A 99 1.764 -8.048 23.120 1.00 0.00 N ATOM 1501 CA LEU A 99 1.422 -6.660 23.457 1.00 0.00 C ATOM 1502 C LEU A 99 2.201 -6.173 24.691 1.00 0.00 C ATOM 1503 O LEU A 99 2.372 -6.910 25.667 1.00 0.00 O ATOM 1504 CB LEU A 99 -0.101 -6.509 23.658 1.00 0.00 C ATOM 1505 CG LEU A 99 -0.932 -6.369 22.364 1.00 0.00 C ATOM 1506 CD1 LEU A 99 -0.922 -7.615 21.478 1.00 0.00 C ATOM 1507 CD2 LEU A 99 -2.388 -6.075 22.732 1.00 0.00 C ATOM 0 H LEU A 99 1.279 -8.732 23.701 1.00 0.00 H new ATOM 0 HA LEU A 99 1.717 -6.028 22.620 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.465 -7.375 24.210 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.282 -5.634 24.282 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.471 -5.560 21.798 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.528 -7.435 20.590 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.102 -7.840 21.179 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.332 -8.459 22.033 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.980 -5.975 21.822 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.783 -6.893 23.334 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.439 -5.147 23.302 1.00 0.00 H new ATOM 1519 N SER A 100 2.639 -4.912 24.661 1.00 0.00 N ATOM 1520 CA SER A 100 3.361 -4.252 25.760 1.00 0.00 C ATOM 1521 C SER A 100 2.415 -3.639 26.809 1.00 0.00 C ATOM 1522 O SER A 100 1.274 -3.276 26.504 1.00 0.00 O ATOM 1523 CB SER A 100 4.306 -3.195 25.186 1.00 0.00 C ATOM 1524 OG SER A 100 5.198 -2.737 26.187 1.00 0.00 O ATOM 0 H SER A 100 2.500 -4.304 23.854 1.00 0.00 H new ATOM 0 HA SER A 100 3.940 -5.013 26.284 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.869 -3.615 24.352 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.730 -2.358 24.792 1.00 0.00 H new ATOM 0 HG SER A 100 5.798 -2.062 25.806 1.00 0.00 H new ATOM 1530 N GLY A 101 2.895 -3.501 28.048 1.00 0.00 N ATOM 1531 CA GLY A 101 2.173 -2.859 29.156 1.00 0.00 C ATOM 1532 C GLY A 101 2.912 -2.858 30.509 1.00 0.00 C ATOM 1533 O GLY A 101 2.306 -3.248 31.511 1.00 0.00 O ATOM 0 H GLY A 101 3.819 -3.840 28.318 1.00 0.00 H new ATOM 0 HA2 GLY A 101 1.956 -1.828 28.878 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.215 -3.363 29.284 1.00 0.00 H new ATOM 1537 N PRO A 102 4.200 -2.453 30.587 1.00 0.00 N ATOM 1538 CA PRO A 102 4.987 -2.507 31.827 1.00 0.00 C ATOM 1539 C PRO A 102 4.491 -1.545 32.925 1.00 0.00 C ATOM 1540 O PRO A 102 4.767 -1.765 34.107 1.00 0.00 O ATOM 1541 CB PRO A 102 6.419 -2.166 31.399 1.00 0.00 C ATOM 1542 CG PRO A 102 6.216 -1.246 30.197 1.00 0.00 C ATOM 1543 CD PRO A 102 5.001 -1.871 29.517 1.00 0.00 C ATOM 0 HA PRO A 102 4.901 -3.492 32.285 1.00 0.00 H new ATOM 0 HB2 PRO A 102 6.970 -1.669 32.197 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.983 -3.060 31.131 1.00 0.00 H new ATOM 0 HG2 PRO A 102 6.029 -0.216 30.499 1.00 0.00 H new ATOM 0 HG3 PRO A 102 7.087 -1.233 29.542 1.00 0.00 H new ATOM 0 HD2 PRO A 102 4.432 -1.121 28.967 1.00 0.00 H new ATOM 0 HD3 PRO A 102 5.304 -2.632 28.798 1.00 0.00 H new ATOM 1551 N SER A 103 3.748 -0.495 32.557 1.00 0.00 N ATOM 1552 CA SER A 103 3.205 0.518 33.480 1.00 0.00 C ATOM 1553 C SER A 103 1.957 0.060 34.254 1.00 0.00 C ATOM 1554 O SER A 103 1.556 0.719 35.217 1.00 0.00 O ATOM 1555 CB SER A 103 2.876 1.802 32.706 1.00 0.00 C ATOM 1556 OG SER A 103 4.005 2.253 31.970 1.00 0.00 O ATOM 0 H SER A 103 3.499 -0.318 31.584 1.00 0.00 H new ATOM 0 HA SER A 103 3.983 0.694 34.223 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.043 1.619 32.027 1.00 0.00 H new ATOM 0 HB3 SER A 103 2.556 2.578 33.401 1.00 0.00 H new ATOM 0 HG SER A 103 3.773 3.071 31.483 1.00 0.00 H new ATOM 1562 N SER A 104 1.328 -1.051 33.853 1.00 0.00 N ATOM 1563 CA SER A 104 0.103 -1.585 34.473 1.00 0.00 C ATOM 1564 C SER A 104 0.360 -2.243 35.839 1.00 0.00 C ATOM 1565 O SER A 104 1.416 -2.841 36.070 1.00 0.00 O ATOM 1566 CB SER A 104 -0.579 -2.587 33.535 1.00 0.00 C ATOM 1567 OG SER A 104 -0.937 -1.955 32.313 1.00 0.00 O ATOM 0 H SER A 104 1.661 -1.618 33.073 1.00 0.00 H new ATOM 0 HA SER A 104 -0.554 -0.732 34.645 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.091 -3.424 33.337 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.468 -2.997 34.014 1.00 0.00 H new ATOM 0 HG SER A 104 -1.370 -2.606 31.722 1.00 0.00 H new ATOM 1573 N GLY A 105 -0.628 -2.161 36.741 1.00 0.00 N ATOM 1574 CA GLY A 105 -0.584 -2.734 38.097 1.00 0.00 C ATOM 1575 C GLY A 105 -1.850 -2.446 38.902 1.00 0.00 C ATOM 1576 O GLY A 105 -1.866 -1.434 39.637 1.00 0.00 O ATOM 1577 OXT GLY A 105 -2.818 -3.228 38.783 1.00 0.00 O ATOM 0 H GLY A 105 -1.506 -1.681 36.543 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.441 -3.812 38.027 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.279 -2.332 38.629 1.00 0.00 H new TER 1581 GLY A 105