USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 591 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 29 GLN : amide:sc= -0.652 K(o=-2,f=-4!) USER MOD Set 1.2: A 132 MET CE :methyl -159:sc= -1.39! (180deg=-0.441) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.759 USER MOD Single : A 37 ASN : amide:sc= -6.3! C(o=-6.3!,f=-4.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0675 USER MOD Single : A 45 THR OG1 : rot -77:sc= 0.019 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 170:sc= -2.14 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 38:sc= 0.132 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -1.01 K(o=-1,f=-2!) USER MOD Single : A 86 HIS : no HD1:sc= -2.6 K(o=-2.6,f=-3.8!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -115:sc= -0.107 (180deg=-0.757) USER MOD Single : A 92 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.9!) USER MOD Single : A 124 SER OG : rot -59:sc= 1.18 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 MET CE :methyl -152:sc= -2.2 (180deg=-3.39!) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 28 10.113 6.070 6.022 1.00 0.00 N ATOM 19 CA GLN A 28 10.498 4.646 6.287 1.00 0.00 C ATOM 20 C GLN A 28 9.958 4.194 7.651 1.00 0.00 C ATOM 21 O GLN A 28 9.690 5.007 8.519 1.00 0.00 O ATOM 22 CB GLN A 28 12.033 4.632 6.273 1.00 0.00 C ATOM 23 CG GLN A 28 12.587 5.588 7.338 1.00 0.00 C ATOM 24 CD GLN A 28 14.116 5.559 7.307 1.00 0.00 C ATOM 25 OE1 GLN A 28 14.731 4.699 7.906 1.00 0.00 O ATOM 26 NE2 GLN A 28 14.761 6.467 6.627 1.00 0.00 N ATOM 0 HA GLN A 28 10.085 3.963 5.545 1.00 0.00 H new ATOM 0 HB2 GLN A 28 12.395 3.621 6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.397 4.925 5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.229 6.601 7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.227 5.297 8.325 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.246 7.189 6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.781 6.454 6.599 1.00 0.00 H new ATOM 35 N GLN A 29 9.803 2.905 7.839 1.00 0.00 N ATOM 36 CA GLN A 29 9.285 2.381 9.146 1.00 0.00 C ATOM 37 C GLN A 29 10.324 1.428 9.768 1.00 0.00 C ATOM 38 O GLN A 29 10.952 0.677 9.049 1.00 0.00 O ATOM 39 CB GLN A 29 7.991 1.614 8.814 1.00 0.00 C ATOM 40 CG GLN A 29 7.008 2.501 8.026 1.00 0.00 C ATOM 41 CD GLN A 29 6.638 3.742 8.844 1.00 0.00 C ATOM 42 OE1 GLN A 29 6.300 3.642 10.006 1.00 0.00 O ATOM 43 NE2 GLN A 29 6.690 4.916 8.276 1.00 0.00 N ATOM 0 H GLN A 29 10.013 2.190 7.142 1.00 0.00 H new ATOM 0 HA GLN A 29 9.097 3.183 9.860 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.231 0.725 8.231 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.520 1.273 9.736 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.458 2.802 7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.109 1.934 7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.974 4.998 7.300 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.447 5.751 8.808 1.00 0.00 H new ATOM 52 N PRO A 30 10.494 1.480 11.083 1.00 0.00 N ATOM 53 CA PRO A 30 11.486 0.590 11.736 1.00 0.00 C ATOM 54 C PRO A 30 10.977 -0.871 11.760 1.00 0.00 C ATOM 55 O PRO A 30 11.222 -1.614 10.825 1.00 0.00 O ATOM 56 CB PRO A 30 11.640 1.184 13.138 1.00 0.00 C ATOM 57 CG PRO A 30 10.359 1.911 13.399 1.00 0.00 C ATOM 58 CD PRO A 30 9.804 2.341 12.065 1.00 0.00 C ATOM 0 HA PRO A 30 12.441 0.544 11.212 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.808 0.403 13.880 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.494 1.860 13.188 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.651 1.266 13.919 1.00 0.00 H new ATOM 0 HG3 PRO A 30 10.532 2.776 14.039 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.723 2.205 12.022 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.000 3.396 11.875 1.00 0.00 H new ATOM 66 N GLU A 31 10.280 -1.293 12.806 1.00 0.00 N ATOM 67 CA GLU A 31 9.771 -2.702 12.863 1.00 0.00 C ATOM 68 C GLU A 31 8.241 -2.720 12.829 1.00 0.00 C ATOM 69 O GLU A 31 7.593 -2.229 13.737 1.00 0.00 O ATOM 70 CB GLU A 31 10.284 -3.256 14.193 1.00 0.00 C ATOM 71 CG GLU A 31 11.813 -3.336 14.162 1.00 0.00 C ATOM 72 CD GLU A 31 12.412 -1.985 14.565 1.00 0.00 C ATOM 73 OE1 GLU A 31 11.804 -1.302 15.375 1.00 0.00 O ATOM 74 OE2 GLU A 31 13.470 -1.653 14.055 1.00 0.00 O ATOM 0 H GLU A 31 10.047 -0.718 13.616 1.00 0.00 H new ATOM 0 HA GLU A 31 10.111 -3.295 12.014 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.960 -2.616 15.014 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.862 -4.245 14.374 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.159 -4.115 14.841 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.152 -3.611 13.163 1.00 0.00 H new ATOM 81 N THR A 32 7.664 -3.278 11.789 1.00 0.00 N ATOM 82 CA THR A 32 6.172 -3.331 11.687 1.00 0.00 C ATOM 83 C THR A 32 5.728 -4.609 10.965 1.00 0.00 C ATOM 84 O THR A 32 6.531 -5.276 10.330 1.00 0.00 O ATOM 85 CB THR A 32 5.798 -2.076 10.891 1.00 0.00 C ATOM 86 OG1 THR A 32 4.384 -1.999 10.765 1.00 0.00 O ATOM 87 CG2 THR A 32 6.440 -2.109 9.497 1.00 0.00 C ATOM 0 H THR A 32 8.164 -3.699 11.006 1.00 0.00 H new ATOM 0 HA THR A 32 5.683 -3.353 12.661 1.00 0.00 H new ATOM 0 HB THR A 32 6.168 -1.200 11.423 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.144 -1.196 10.258 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.163 -1.210 8.947 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.525 -2.153 9.597 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.089 -2.988 8.956 1.00 0.00 H new ATOM 95 N GLU A 33 4.455 -4.949 11.048 1.00 0.00 N ATOM 96 CA GLU A 33 3.971 -6.184 10.353 1.00 0.00 C ATOM 97 C GLU A 33 2.841 -5.847 9.370 1.00 0.00 C ATOM 98 O GLU A 33 2.039 -4.954 9.590 1.00 0.00 O ATOM 99 CB GLU A 33 3.476 -7.108 11.476 1.00 0.00 C ATOM 100 CG GLU A 33 2.354 -6.428 12.266 1.00 0.00 C ATOM 101 CD GLU A 33 1.570 -7.480 13.052 1.00 0.00 C ATOM 102 OE1 GLU A 33 2.185 -8.434 13.503 1.00 0.00 O ATOM 103 OE2 GLU A 33 0.370 -7.316 13.191 1.00 0.00 O ATOM 0 H GLU A 33 3.743 -4.429 11.561 1.00 0.00 H new ATOM 0 HA GLU A 33 4.755 -6.656 9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.116 -8.046 11.053 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.302 -7.356 12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.773 -5.687 12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.688 -5.896 11.587 1.00 0.00 H new ATOM 110 N ALA A 34 2.790 -6.572 8.284 1.00 0.00 N ATOM 111 CA ALA A 34 1.746 -6.346 7.249 1.00 0.00 C ATOM 112 C ALA A 34 0.755 -7.518 7.155 1.00 0.00 C ATOM 113 O ALA A 34 1.141 -8.695 7.002 1.00 0.00 O ATOM 114 CB ALA A 34 2.519 -6.201 5.939 1.00 0.00 C ATOM 0 H ALA A 34 3.443 -7.326 8.069 1.00 0.00 H new ATOM 0 HA ALA A 34 1.143 -5.470 7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.819 -6.031 5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.204 -5.356 6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.086 -7.112 5.748 1.00 0.00 H new ATOM 120 N VAL A 35 -0.518 -7.174 7.185 1.00 0.00 N ATOM 121 CA VAL A 35 -1.614 -8.175 7.036 1.00 0.00 C ATOM 122 C VAL A 35 -2.428 -7.771 5.792 1.00 0.00 C ATOM 123 O VAL A 35 -2.913 -6.660 5.705 1.00 0.00 O ATOM 124 CB VAL A 35 -2.453 -8.080 8.333 1.00 0.00 C ATOM 125 CG1 VAL A 35 -3.756 -8.898 8.216 1.00 0.00 C ATOM 126 CG2 VAL A 35 -1.617 -8.591 9.515 1.00 0.00 C ATOM 0 H VAL A 35 -0.842 -6.215 7.310 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.268 -9.200 6.902 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.726 -7.037 8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.324 -8.812 9.142 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.352 -8.516 7.388 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.513 -9.945 8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.204 -8.526 10.431 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.334 -9.629 9.339 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.719 -7.982 9.616 1.00 0.00 H new ATOM 136 N LEU A 36 -2.523 -8.640 4.810 1.00 0.00 N ATOM 137 CA LEU A 36 -3.243 -8.290 3.546 1.00 0.00 C ATOM 138 C LEU A 36 -4.501 -9.151 3.289 1.00 0.00 C ATOM 139 O LEU A 36 -4.450 -10.363 3.233 1.00 0.00 O ATOM 140 CB LEU A 36 -2.167 -8.530 2.462 1.00 0.00 C ATOM 141 CG LEU A 36 -2.586 -8.015 1.059 1.00 0.00 C ATOM 142 CD1 LEU A 36 -3.620 -8.955 0.431 1.00 0.00 C ATOM 143 CD2 LEU A 36 -3.154 -6.585 1.125 1.00 0.00 C ATOM 0 H LEU A 36 -2.130 -9.581 4.833 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.634 -7.273 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.242 -8.037 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.954 -9.597 2.401 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.691 -7.996 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.903 -8.580 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.191 -9.952 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.503 -9.003 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.436 -6.259 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.031 -6.571 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.397 -5.911 1.526 1.00 0.00 H new ATOM 155 N ASN A 37 -5.631 -8.483 3.075 1.00 0.00 N ATOM 156 CA ASN A 37 -6.976 -9.133 2.743 1.00 0.00 C ATOM 157 C ASN A 37 -7.643 -9.860 3.920 1.00 0.00 C ATOM 158 O ASN A 37 -8.593 -10.582 3.703 1.00 0.00 O ATOM 159 CB ASN A 37 -6.707 -10.156 1.609 1.00 0.00 C ATOM 160 CG ASN A 37 -7.959 -10.361 0.752 1.00 0.00 C ATOM 161 OD1 ASN A 37 -9.014 -10.687 1.257 1.00 0.00 O ATOM 162 ND2 ASN A 37 -7.880 -10.193 -0.540 1.00 0.00 N ATOM 0 H ASN A 37 -5.681 -7.465 3.118 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.668 -8.340 2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.886 -9.805 0.983 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.395 -11.108 2.039 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.704 -10.336 -1.124 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.994 -9.919 -0.965 1.00 0.00 H new ATOM 169 N GLY A 38 -7.241 -9.620 5.147 1.00 0.00 N ATOM 170 CA GLY A 38 -7.924 -10.284 6.314 1.00 0.00 C ATOM 171 C GLY A 38 -7.017 -11.375 6.880 1.00 0.00 C ATOM 172 O GLY A 38 -7.004 -11.626 8.073 1.00 0.00 O ATOM 0 H GLY A 38 -6.473 -8.996 5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.149 -9.547 7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.874 -10.714 5.997 1.00 0.00 H new ATOM 176 N LYS A 39 -6.231 -11.994 6.032 1.00 0.00 N ATOM 177 CA LYS A 39 -5.278 -13.043 6.502 1.00 0.00 C ATOM 178 C LYS A 39 -3.941 -12.341 6.643 1.00 0.00 C ATOM 179 O LYS A 39 -3.553 -11.601 5.748 1.00 0.00 O ATOM 180 CB LYS A 39 -5.239 -14.094 5.391 1.00 0.00 C ATOM 181 CG LYS A 39 -4.415 -15.297 5.858 1.00 0.00 C ATOM 182 CD LYS A 39 -4.317 -16.319 4.723 1.00 0.00 C ATOM 183 CE LYS A 39 -3.628 -17.586 5.234 1.00 0.00 C ATOM 184 NZ LYS A 39 -4.104 -18.671 4.334 1.00 0.00 N ATOM 0 H LYS A 39 -6.210 -11.815 5.028 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.545 -13.519 7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.251 -14.409 5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.802 -13.668 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.418 -14.974 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.880 -15.752 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.312 -16.559 4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.756 -15.899 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.543 -17.488 5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.893 -17.789 6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.674 -19.574 4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.139 -18.745 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.831 -18.454 3.354 1.00 0.00 H new ATOM 198 N GLY A 40 -3.273 -12.485 7.773 1.00 0.00 N ATOM 199 CA GLY A 40 -2.012 -11.720 7.961 1.00 0.00 C ATOM 200 C GLY A 40 -0.850 -12.297 7.169 1.00 0.00 C ATOM 201 O GLY A 40 -0.222 -13.265 7.557 1.00 0.00 O ATOM 0 H GLY A 40 -3.547 -13.087 8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.172 -10.685 7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.754 -11.708 9.020 1.00 0.00 H new ATOM 205 N LEU A 41 -0.499 -11.610 6.111 1.00 0.00 N ATOM 206 CA LEU A 41 0.689 -11.978 5.321 1.00 0.00 C ATOM 207 C LEU A 41 1.573 -10.723 5.222 1.00 0.00 C ATOM 208 O LEU A 41 1.209 -9.755 4.575 1.00 0.00 O ATOM 209 CB LEU A 41 0.127 -12.413 3.944 1.00 0.00 C ATOM 210 CG LEU A 41 1.229 -12.492 2.863 1.00 0.00 C ATOM 211 CD1 LEU A 41 2.359 -13.425 3.310 1.00 0.00 C ATOM 212 CD2 LEU A 41 0.618 -13.018 1.560 1.00 0.00 C ATOM 0 H LEU A 41 -1.004 -10.795 5.764 1.00 0.00 H new ATOM 0 HA LEU A 41 1.295 -12.778 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.355 -13.386 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.641 -11.707 3.627 1.00 0.00 H new ATOM 0 HG LEU A 41 1.643 -11.496 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.124 -13.467 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.798 -13.048 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.960 -14.425 3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.391 -13.076 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.199 -14.010 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.171 -12.343 1.230 1.00 0.00 H new ATOM 224 N GLY A 42 2.717 -10.748 5.833 1.00 0.00 N ATOM 225 CA GLY A 42 3.650 -9.597 5.777 1.00 0.00 C ATOM 226 C GLY A 42 4.276 -9.371 7.150 1.00 0.00 C ATOM 227 O GLY A 42 3.594 -9.021 8.095 1.00 0.00 O ATOM 0 H GLY A 42 3.053 -11.538 6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.429 -9.785 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.118 -8.701 5.458 1.00 0.00 H new ATOM 231 N THR A 43 5.570 -9.531 7.258 1.00 0.00 N ATOM 232 CA THR A 43 6.271 -9.281 8.549 1.00 0.00 C ATOM 233 C THR A 43 7.624 -8.682 8.205 1.00 0.00 C ATOM 234 O THR A 43 8.451 -9.361 7.627 1.00 0.00 O ATOM 235 CB THR A 43 6.427 -10.654 9.205 1.00 0.00 C ATOM 236 OG1 THR A 43 5.155 -11.282 9.293 1.00 0.00 O ATOM 237 CG2 THR A 43 7.017 -10.491 10.607 1.00 0.00 C ATOM 0 H THR A 43 6.177 -9.829 6.494 1.00 0.00 H new ATOM 0 HA THR A 43 5.743 -8.603 9.220 1.00 0.00 H new ATOM 0 HB THR A 43 7.096 -11.269 8.604 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.253 -12.163 9.712 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.127 -11.471 11.072 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.993 -10.011 10.537 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.352 -9.875 11.212 1.00 0.00 H new ATOM 245 N GLY A 44 7.856 -7.418 8.520 1.00 0.00 N ATOM 246 CA GLY A 44 9.169 -6.803 8.150 1.00 0.00 C ATOM 247 C GLY A 44 9.154 -5.288 8.277 1.00 0.00 C ATOM 248 O GLY A 44 8.699 -4.724 9.254 1.00 0.00 O ATOM 0 H GLY A 44 7.203 -6.804 9.007 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.952 -7.211 8.790 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.420 -7.077 7.125 1.00 0.00 H new ATOM 252 N THR A 45 9.706 -4.643 7.293 1.00 0.00 N ATOM 253 CA THR A 45 9.804 -3.149 7.309 1.00 0.00 C ATOM 254 C THR A 45 9.070 -2.528 6.121 1.00 0.00 C ATOM 255 O THR A 45 9.071 -3.082 5.036 1.00 0.00 O ATOM 256 CB THR A 45 11.306 -2.865 7.212 1.00 0.00 C ATOM 257 OG1 THR A 45 11.978 -3.536 8.269 1.00 0.00 O ATOM 258 CG2 THR A 45 11.573 -1.359 7.315 1.00 0.00 C ATOM 0 H THR A 45 10.101 -5.088 6.464 1.00 0.00 H new ATOM 0 HA THR A 45 9.348 -2.723 8.202 1.00 0.00 H new ATOM 0 HB THR A 45 11.673 -3.222 6.250 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.844 -3.044 9.106 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.645 -1.174 7.244 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.061 -0.842 6.503 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.203 -0.988 8.271 1.00 0.00 H new ATOM 266 N LEU A 46 8.470 -1.374 6.311 1.00 0.00 N ATOM 267 CA LEU A 46 7.762 -0.696 5.179 1.00 0.00 C ATOM 268 C LEU A 46 8.484 0.609 4.828 1.00 0.00 C ATOM 269 O LEU A 46 8.581 1.503 5.651 1.00 0.00 O ATOM 270 CB LEU A 46 6.368 -0.389 5.749 1.00 0.00 C ATOM 271 CG LEU A 46 5.481 0.289 4.695 1.00 0.00 C ATOM 272 CD1 LEU A 46 4.008 0.050 5.039 1.00 0.00 C ATOM 273 CD2 LEU A 46 5.747 1.798 4.684 1.00 0.00 C ATOM 0 H LEU A 46 8.441 -0.875 7.200 1.00 0.00 H new ATOM 0 HA LEU A 46 7.725 -1.300 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.897 -1.313 6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.462 0.258 6.621 1.00 0.00 H new ATOM 0 HG LEU A 46 5.709 -0.131 3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.377 0.531 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.806 -1.021 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.791 0.470 6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.115 2.273 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.521 2.214 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.794 1.981 4.444 1.00 0.00 H new ATOM 285 N TYR A 47 8.935 0.746 3.598 1.00 0.00 N ATOM 286 CA TYR A 47 9.586 2.027 3.174 1.00 0.00 C ATOM 287 C TYR A 47 8.708 2.732 2.136 1.00 0.00 C ATOM 288 O TYR A 47 8.389 2.171 1.098 1.00 0.00 O ATOM 289 CB TYR A 47 11.013 1.713 2.668 1.00 0.00 C ATOM 290 CG TYR A 47 11.063 0.598 1.645 1.00 0.00 C ATOM 291 CD1 TYR A 47 10.959 -0.743 2.044 1.00 0.00 C ATOM 292 CD2 TYR A 47 11.269 0.908 0.296 1.00 0.00 C ATOM 293 CE1 TYR A 47 11.052 -1.766 1.093 1.00 0.00 C ATOM 294 CE2 TYR A 47 11.360 -0.114 -0.653 1.00 0.00 C ATOM 295 CZ TYR A 47 11.251 -1.452 -0.255 1.00 0.00 C ATOM 296 OH TYR A 47 11.344 -2.461 -1.193 1.00 0.00 O ATOM 0 H TYR A 47 8.879 0.028 2.875 1.00 0.00 H new ATOM 0 HA TYR A 47 9.684 2.719 4.010 1.00 0.00 H new ATOM 0 HB2 TYR A 47 11.441 2.615 2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.639 1.443 3.518 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.807 -0.986 3.085 1.00 0.00 H new ATOM 0 HD2 TYR A 47 11.358 1.939 -0.012 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.970 -2.798 1.401 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.514 0.128 -1.694 1.00 0.00 H new ATOM 0 HH TYR A 47 11.481 -2.070 -2.081 1.00 0.00 H new ATOM 306 N ILE A 48 8.298 3.946 2.419 1.00 0.00 N ATOM 307 CA ILE A 48 7.417 4.697 1.467 1.00 0.00 C ATOM 308 C ILE A 48 8.262 5.522 0.489 1.00 0.00 C ATOM 309 O ILE A 48 9.227 6.159 0.873 1.00 0.00 O ATOM 310 CB ILE A 48 6.553 5.612 2.350 1.00 0.00 C ATOM 311 CG1 ILE A 48 5.742 4.768 3.340 1.00 0.00 C ATOM 312 CG2 ILE A 48 5.585 6.418 1.475 1.00 0.00 C ATOM 313 CD1 ILE A 48 5.027 5.686 4.332 1.00 0.00 C ATOM 0 H ILE A 48 8.537 4.451 3.272 1.00 0.00 H new ATOM 0 HA ILE A 48 6.806 4.027 0.862 1.00 0.00 H new ATOM 0 HB ILE A 48 7.208 6.291 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.015 4.159 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.400 4.082 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.976 7.064 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.152 7.028 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.938 5.735 0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.451 5.084 5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.763 6.276 4.878 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.356 6.354 3.791 1.00 0.00 H new ATOM 325 N ALA A 49 7.891 5.518 -0.769 1.00 0.00 N ATOM 326 CA ALA A 49 8.646 6.300 -1.794 1.00 0.00 C ATOM 327 C ALA A 49 7.902 7.607 -2.096 1.00 0.00 C ATOM 328 O ALA A 49 6.691 7.679 -1.994 1.00 0.00 O ATOM 329 CB ALA A 49 8.699 5.400 -3.035 1.00 0.00 C ATOM 0 H ALA A 49 7.090 5.001 -1.131 1.00 0.00 H new ATOM 0 HA ALA A 49 9.647 6.570 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.240 5.910 -3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.209 4.469 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.685 5.180 -3.369 1.00 0.00 H new ATOM 335 N GLU A 50 8.622 8.642 -2.462 1.00 0.00 N ATOM 336 CA GLU A 50 7.975 9.972 -2.767 1.00 0.00 C ATOM 337 C GLU A 50 6.802 9.826 -3.749 1.00 0.00 C ATOM 338 O GLU A 50 5.855 10.594 -3.707 1.00 0.00 O ATOM 339 CB GLU A 50 9.083 10.825 -3.393 1.00 0.00 C ATOM 340 CG GLU A 50 8.567 12.247 -3.629 1.00 0.00 C ATOM 341 CD GLU A 50 9.627 13.059 -4.377 1.00 0.00 C ATOM 342 OE1 GLU A 50 10.313 12.481 -5.204 1.00 0.00 O ATOM 343 OE2 GLU A 50 9.734 14.243 -4.108 1.00 0.00 O ATOM 0 H GLU A 50 9.637 8.628 -2.565 1.00 0.00 H new ATOM 0 HA GLU A 50 7.560 10.419 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.953 10.848 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.406 10.384 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.642 12.218 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.334 12.723 -2.677 1.00 0.00 H new ATOM 350 N SER A 51 6.863 8.852 -4.628 1.00 0.00 N ATOM 351 CA SER A 51 5.758 8.651 -5.617 1.00 0.00 C ATOM 352 C SER A 51 5.378 7.172 -5.706 1.00 0.00 C ATOM 353 O SER A 51 4.888 6.715 -6.726 1.00 0.00 O ATOM 354 CB SER A 51 6.330 9.137 -6.948 1.00 0.00 C ATOM 355 OG SER A 51 6.528 10.543 -6.889 1.00 0.00 O ATOM 0 H SER A 51 7.633 8.187 -4.702 1.00 0.00 H new ATOM 0 HA SER A 51 4.853 9.190 -5.336 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.274 8.634 -7.157 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.649 8.888 -7.762 1.00 0.00 H new ATOM 0 HG SER A 51 6.896 10.858 -7.741 1.00 0.00 H new ATOM 361 N ARG A 52 5.597 6.420 -4.649 1.00 0.00 N ATOM 362 CA ARG A 52 5.250 4.963 -4.664 1.00 0.00 C ATOM 363 C ARG A 52 5.359 4.380 -3.254 1.00 0.00 C ATOM 364 O ARG A 52 5.907 5.005 -2.363 1.00 0.00 O ATOM 365 CB ARG A 52 6.286 4.319 -5.589 1.00 0.00 C ATOM 366 CG ARG A 52 5.715 3.028 -6.181 1.00 0.00 C ATOM 367 CD ARG A 52 6.703 2.451 -7.195 1.00 0.00 C ATOM 368 NE ARG A 52 7.859 1.981 -6.383 1.00 0.00 N ATOM 369 CZ ARG A 52 9.073 2.331 -6.712 1.00 0.00 C ATOM 370 NH1 ARG A 52 9.537 2.042 -7.896 1.00 0.00 N ATOM 371 NH2 ARG A 52 9.824 2.967 -5.854 1.00 0.00 N ATOM 0 H ARG A 52 6.002 6.756 -3.775 1.00 0.00 H new ATOM 0 HA ARG A 52 4.230 4.785 -5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.554 5.010 -6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.199 4.104 -5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.527 2.304 -5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.758 3.229 -6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.257 1.631 -7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.010 3.205 -7.920 1.00 0.00 H new ATOM 0 HE ARG A 52 7.703 1.386 -5.570 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.951 1.542 -8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.485 2.316 -8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.462 3.190 -4.927 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.772 3.240 -6.111 1.00 0.00 H new ATOM 385 N LEU A 53 4.850 3.187 -3.051 1.00 0.00 N ATOM 386 CA LEU A 53 4.928 2.546 -1.702 1.00 0.00 C ATOM 387 C LEU A 53 5.551 1.160 -1.837 1.00 0.00 C ATOM 388 O LEU A 53 5.082 0.341 -2.610 1.00 0.00 O ATOM 389 CB LEU A 53 3.480 2.447 -1.223 1.00 0.00 C ATOM 390 CG LEU A 53 3.446 2.521 0.304 1.00 0.00 C ATOM 391 CD1 LEU A 53 2.085 3.051 0.759 1.00 0.00 C ATOM 392 CD2 LEU A 53 3.673 1.125 0.887 1.00 0.00 C ATOM 0 H LEU A 53 4.382 2.629 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 53 5.541 3.111 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.887 3.256 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.036 1.512 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 53 4.231 3.192 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.060 3.104 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.925 4.046 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.299 2.381 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.649 1.177 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.889 0.453 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.643 0.749 0.563 1.00 0.00 H new ATOM 404 N SER A 54 6.611 0.892 -1.103 1.00 0.00 N ATOM 405 CA SER A 54 7.275 -0.443 -1.200 1.00 0.00 C ATOM 406 C SER A 54 7.444 -1.072 0.182 1.00 0.00 C ATOM 407 O SER A 54 7.694 -0.394 1.163 1.00 0.00 O ATOM 408 CB SER A 54 8.623 -0.160 -1.852 1.00 0.00 C ATOM 409 OG SER A 54 8.423 0.173 -3.219 1.00 0.00 O ATOM 0 H SER A 54 7.040 1.542 -0.444 1.00 0.00 H new ATOM 0 HA SER A 54 6.687 -1.156 -1.778 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.125 0.659 -1.336 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.270 -1.033 -1.769 1.00 0.00 H new ATOM 0 HG SER A 54 9.261 0.510 -3.599 1.00 0.00 H new ATOM 415 N TRP A 55 7.283 -2.371 0.256 1.00 0.00 N ATOM 416 CA TRP A 55 7.402 -3.083 1.564 1.00 0.00 C ATOM 417 C TRP A 55 8.544 -4.099 1.556 1.00 0.00 C ATOM 418 O TRP A 55 8.789 -4.762 0.565 1.00 0.00 O ATOM 419 CB TRP A 55 6.067 -3.807 1.725 1.00 0.00 C ATOM 420 CG TRP A 55 5.675 -3.828 3.162 1.00 0.00 C ATOM 421 CD1 TRP A 55 5.083 -2.806 3.800 1.00 0.00 C ATOM 422 CD2 TRP A 55 5.837 -4.889 4.149 1.00 0.00 C ATOM 423 NE1 TRP A 55 4.843 -3.172 5.107 1.00 0.00 N ATOM 424 CE2 TRP A 55 5.298 -4.442 5.377 1.00 0.00 C ATOM 425 CE3 TRP A 55 6.389 -6.181 4.100 1.00 0.00 C ATOM 426 CZ2 TRP A 55 5.301 -5.245 6.513 1.00 0.00 C ATOM 427 CZ3 TRP A 55 6.396 -6.993 5.246 1.00 0.00 C ATOM 428 CH2 TRP A 55 5.853 -6.523 6.450 1.00 0.00 C ATOM 0 H TRP A 55 7.073 -2.972 -0.541 1.00 0.00 H new ATOM 0 HA TRP A 55 7.619 -2.389 2.376 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.298 -3.307 1.136 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.147 -4.826 1.345 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.835 -1.851 3.360 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.383 -2.573 5.792 1.00 0.00 H new ATOM 0 HE3 TRP A 55 6.810 -6.551 3.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.878 -4.880 7.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.822 -7.984 5.199 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.862 -7.151 7.328 1.00 0.00 H new ATOM 439 N LEU A 56 9.212 -4.244 2.674 1.00 0.00 N ATOM 440 CA LEU A 56 10.319 -5.240 2.776 1.00 0.00 C ATOM 441 C LEU A 56 9.804 -6.479 3.520 1.00 0.00 C ATOM 442 O LEU A 56 9.256 -6.373 4.610 1.00 0.00 O ATOM 443 CB LEU A 56 11.421 -4.520 3.573 1.00 0.00 C ATOM 444 CG LEU A 56 12.765 -5.301 3.570 1.00 0.00 C ATOM 445 CD1 LEU A 56 12.635 -6.540 4.432 1.00 0.00 C ATOM 446 CD2 LEU A 56 13.170 -5.753 2.154 1.00 0.00 C ATOM 0 H LEU A 56 9.035 -3.710 3.525 1.00 0.00 H new ATOM 0 HA LEU A 56 10.693 -5.579 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.580 -3.528 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.088 -4.380 4.601 1.00 0.00 H new ATOM 0 HG LEU A 56 13.528 -4.625 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.578 -7.086 4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.388 -6.249 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.845 -7.178 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.115 -6.294 2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.398 -6.405 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.284 -4.880 1.512 1.00 0.00 H new ATOM 458 N ASP A 57 9.984 -7.651 2.940 1.00 0.00 N ATOM 459 CA ASP A 57 9.504 -8.907 3.595 1.00 0.00 C ATOM 460 C ASP A 57 10.522 -9.459 4.602 1.00 0.00 C ATOM 461 O ASP A 57 11.729 -9.404 4.408 1.00 0.00 O ATOM 462 CB ASP A 57 9.274 -9.908 2.462 1.00 0.00 C ATOM 463 CG ASP A 57 8.291 -10.984 2.924 1.00 0.00 C ATOM 464 OD1 ASP A 57 7.101 -10.792 2.736 1.00 0.00 O ATOM 465 OD2 ASP A 57 8.744 -11.985 3.456 1.00 0.00 O ATOM 0 H ASP A 57 10.444 -7.785 2.040 1.00 0.00 H new ATOM 0 HA ASP A 57 8.595 -8.717 4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.882 -9.395 1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.219 -10.365 2.169 1.00 0.00 H new ATOM 470 N GLY A 58 10.008 -10.006 5.674 1.00 0.00 N ATOM 471 CA GLY A 58 10.830 -10.588 6.782 1.00 0.00 C ATOM 472 C GLY A 58 11.991 -11.482 6.309 1.00 0.00 C ATOM 473 O GLY A 58 12.913 -11.721 7.073 1.00 0.00 O ATOM 0 H GLY A 58 9.003 -10.076 5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.235 -9.774 7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.179 -11.172 7.433 1.00 0.00 H new ATOM 477 N SER A 59 11.973 -11.988 5.087 1.00 0.00 N ATOM 478 CA SER A 59 13.092 -12.871 4.615 1.00 0.00 C ATOM 479 C SER A 59 14.238 -12.046 4.010 1.00 0.00 C ATOM 480 O SER A 59 15.061 -12.580 3.284 1.00 0.00 O ATOM 481 CB SER A 59 12.460 -13.764 3.549 1.00 0.00 C ATOM 482 OG SER A 59 11.489 -14.606 4.157 1.00 0.00 O ATOM 0 H SER A 59 11.234 -11.826 4.403 1.00 0.00 H new ATOM 0 HA SER A 59 13.528 -13.441 5.435 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.995 -13.153 2.775 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.227 -14.366 3.062 1.00 0.00 H new ATOM 0 HG SER A 59 11.080 -15.179 3.475 1.00 0.00 H new ATOM 488 N GLY A 60 14.290 -10.755 4.277 1.00 0.00 N ATOM 489 CA GLY A 60 15.364 -9.903 3.691 1.00 0.00 C ATOM 490 C GLY A 60 15.086 -9.666 2.210 1.00 0.00 C ATOM 491 O GLY A 60 15.989 -9.396 1.438 1.00 0.00 O ATOM 0 H GLY A 60 13.629 -10.262 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.413 -8.950 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.333 -10.386 3.816 1.00 0.00 H new ATOM 495 N LEU A 61 13.840 -9.764 1.814 1.00 0.00 N ATOM 496 CA LEU A 61 13.476 -9.548 0.387 1.00 0.00 C ATOM 497 C LEU A 61 12.303 -8.589 0.343 1.00 0.00 C ATOM 498 O LEU A 61 11.291 -8.833 0.970 1.00 0.00 O ATOM 499 CB LEU A 61 13.075 -10.925 -0.147 1.00 0.00 C ATOM 500 CG LEU A 61 14.250 -11.899 -0.016 1.00 0.00 C ATOM 501 CD1 LEU A 61 13.799 -13.303 -0.427 1.00 0.00 C ATOM 502 CD2 LEU A 61 15.394 -11.448 -0.928 1.00 0.00 C ATOM 0 H LEU A 61 13.056 -9.987 2.427 1.00 0.00 H new ATOM 0 HA LEU A 61 14.286 -9.126 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.215 -11.303 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.772 -10.845 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 61 14.593 -11.913 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.635 -13.996 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.985 -13.628 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 61 13.455 -13.287 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.229 -12.142 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.050 -11.432 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.718 -10.448 -0.638 1.00 0.00 H new ATOM 514 N GLY A 62 12.436 -7.492 -0.358 1.00 0.00 N ATOM 515 CA GLY A 62 11.327 -6.499 -0.403 1.00 0.00 C ATOM 516 C GLY A 62 10.687 -6.437 -1.778 1.00 0.00 C ATOM 517 O GLY A 62 11.251 -6.854 -2.770 1.00 0.00 O ATOM 0 H GLY A 62 13.264 -7.244 -0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.572 -6.762 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.709 -5.514 -0.134 1.00 0.00 H new ATOM 521 N PHE A 63 9.505 -5.889 -1.821 1.00 0.00 N ATOM 522 CA PHE A 63 8.779 -5.738 -3.111 1.00 0.00 C ATOM 523 C PHE A 63 8.134 -4.360 -3.142 1.00 0.00 C ATOM 524 O PHE A 63 7.699 -3.855 -2.120 1.00 0.00 O ATOM 525 CB PHE A 63 7.738 -6.872 -3.174 1.00 0.00 C ATOM 526 CG PHE A 63 6.754 -6.811 -2.020 1.00 0.00 C ATOM 527 CD1 PHE A 63 7.174 -7.098 -0.717 1.00 0.00 C ATOM 528 CD2 PHE A 63 5.409 -6.504 -2.265 1.00 0.00 C ATOM 529 CE1 PHE A 63 6.259 -7.080 0.339 1.00 0.00 C ATOM 530 CE2 PHE A 63 4.490 -6.481 -1.207 1.00 0.00 C ATOM 531 CZ PHE A 63 4.911 -6.771 0.096 1.00 0.00 C ATOM 0 H PHE A 63 9.005 -5.535 -1.005 1.00 0.00 H new ATOM 0 HA PHE A 63 9.437 -5.811 -3.977 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.194 -6.812 -4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.250 -7.834 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.210 -7.335 -0.526 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.080 -6.285 -3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.589 -7.304 1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.455 -6.239 -1.398 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.202 -6.757 0.911 1.00 0.00 H new ATOM 541 N SER A 64 8.113 -3.732 -4.294 1.00 0.00 N ATOM 542 CA SER A 64 7.544 -2.358 -4.386 1.00 0.00 C ATOM 543 C SER A 64 6.121 -2.362 -4.938 1.00 0.00 C ATOM 544 O SER A 64 5.847 -2.907 -5.992 1.00 0.00 O ATOM 545 CB SER A 64 8.480 -1.610 -5.330 1.00 0.00 C ATOM 546 OG SER A 64 8.787 -2.438 -6.444 1.00 0.00 O ATOM 0 H SER A 64 8.466 -4.115 -5.171 1.00 0.00 H new ATOM 0 HA SER A 64 7.476 -1.893 -3.402 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.011 -0.686 -5.668 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.395 -1.331 -4.807 1.00 0.00 H new ATOM 0 HG SER A 64 7.990 -2.946 -6.704 1.00 0.00 H new ATOM 552 N LEU A 65 5.221 -1.727 -4.230 1.00 0.00 N ATOM 553 CA LEU A 65 3.802 -1.641 -4.687 1.00 0.00 C ATOM 554 C LEU A 65 3.556 -0.270 -5.329 1.00 0.00 C ATOM 555 O LEU A 65 3.825 0.762 -4.731 1.00 0.00 O ATOM 556 CB LEU A 65 2.960 -1.804 -3.420 1.00 0.00 C ATOM 557 CG LEU A 65 3.232 -3.171 -2.789 1.00 0.00 C ATOM 558 CD1 LEU A 65 2.498 -3.271 -1.451 1.00 0.00 C ATOM 559 CD2 LEU A 65 2.733 -4.274 -3.726 1.00 0.00 C ATOM 0 H LEU A 65 5.413 -1.259 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 65 3.553 -2.399 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.198 -1.012 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.901 -1.709 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 65 4.303 -3.288 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.692 -4.245 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.852 -2.486 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.427 -3.153 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.927 -5.248 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.662 -4.156 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.255 -4.204 -4.680 1.00 0.00 H new ATOM 654 N SER A 71 -8.687 1.781 0.546 1.00 0.00 N ATOM 655 CA SER A 71 -10.086 2.304 0.450 1.00 0.00 C ATOM 656 C SER A 71 -10.443 3.053 1.736 1.00 0.00 C ATOM 657 O SER A 71 -10.584 4.265 1.731 1.00 0.00 O ATOM 658 CB SER A 71 -10.968 1.069 0.269 1.00 0.00 C ATOM 659 OG SER A 71 -11.923 1.321 -0.755 1.00 0.00 O ATOM 0 HA SER A 71 -10.217 3.005 -0.375 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.356 0.206 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 71 -11.474 0.829 1.204 1.00 0.00 H new ATOM 0 HG SER A 71 -12.490 0.531 -0.875 1.00 0.00 H new ATOM 665 N LEU A 72 -10.569 2.344 2.839 1.00 0.00 N ATOM 666 CA LEU A 72 -10.892 3.009 4.132 1.00 0.00 C ATOM 667 C LEU A 72 -9.744 2.763 5.108 1.00 0.00 C ATOM 668 O LEU A 72 -9.581 1.663 5.584 1.00 0.00 O ATOM 669 CB LEU A 72 -12.181 2.329 4.616 1.00 0.00 C ATOM 670 CG LEU A 72 -12.602 2.891 5.982 1.00 0.00 C ATOM 671 CD1 LEU A 72 -14.114 2.738 6.153 1.00 0.00 C ATOM 672 CD2 LEU A 72 -11.889 2.120 7.097 1.00 0.00 C ATOM 0 H LEU A 72 -10.460 1.331 2.891 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.025 4.087 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.978 2.487 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.026 1.253 4.690 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.331 3.945 6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.413 3.137 7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.627 3.285 5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.382 1.683 6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.189 2.520 8.065 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.159 1.066 7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.810 2.225 6.980 1.00 0.00 H new ATOM 684 N HIS A 73 -8.944 3.770 5.388 1.00 0.00 N ATOM 685 CA HIS A 73 -7.786 3.585 6.312 1.00 0.00 C ATOM 686 C HIS A 73 -8.051 4.216 7.682 1.00 0.00 C ATOM 687 O HIS A 73 -8.217 5.413 7.817 1.00 0.00 O ATOM 688 CB HIS A 73 -6.594 4.261 5.611 1.00 0.00 C ATOM 689 CG HIS A 73 -6.853 5.732 5.403 1.00 0.00 C ATOM 690 ND1 HIS A 73 -7.514 6.221 4.286 1.00 0.00 N ATOM 691 CD2 HIS A 73 -6.528 6.835 6.156 1.00 0.00 C ATOM 692 CE1 HIS A 73 -7.567 7.562 4.399 1.00 0.00 C ATOM 693 NE2 HIS A 73 -6.981 7.987 5.520 1.00 0.00 N ATOM 0 H HIS A 73 -9.048 4.713 5.012 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.597 2.529 6.507 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.693 4.128 6.209 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.413 3.780 4.650 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.001 6.811 7.098 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.027 8.214 3.671 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.886 8.950 5.842 1.00 0.00 H new ATOM 701 N ALA A 74 -8.079 3.387 8.699 1.00 0.00 N ATOM 702 CA ALA A 74 -8.322 3.878 10.084 1.00 0.00 C ATOM 703 C ALA A 74 -7.074 3.646 10.941 1.00 0.00 C ATOM 704 O ALA A 74 -6.463 2.586 10.898 1.00 0.00 O ATOM 705 CB ALA A 74 -9.493 3.045 10.603 1.00 0.00 C ATOM 0 H ALA A 74 -7.942 2.379 8.622 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.542 4.945 10.116 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.732 3.349 11.622 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.362 3.201 9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.221 1.990 10.594 1.00 0.00 H new ATOM 711 N VAL A 75 -6.690 4.636 11.709 1.00 0.00 N ATOM 712 CA VAL A 75 -5.477 4.505 12.573 1.00 0.00 C ATOM 713 C VAL A 75 -5.871 4.324 14.046 1.00 0.00 C ATOM 714 O VAL A 75 -5.119 3.771 14.826 1.00 0.00 O ATOM 715 CB VAL A 75 -4.692 5.810 12.372 1.00 0.00 C ATOM 716 CG1 VAL A 75 -4.299 5.947 10.899 1.00 0.00 C ATOM 717 CG2 VAL A 75 -5.551 7.015 12.779 1.00 0.00 C ATOM 0 H VAL A 75 -7.168 5.535 11.774 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.883 3.631 12.306 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.798 5.782 12.994 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.742 6.873 10.756 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.677 5.100 10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.198 5.965 10.283 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.983 7.933 12.632 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.452 7.043 12.166 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.829 6.925 13.829 1.00 0.00 H new ATOM 876 N GLU A 85 -0.127 1.989 18.788 1.00 0.00 N ATOM 877 CA GLU A 85 -0.397 2.584 17.436 1.00 0.00 C ATOM 878 C GLU A 85 -0.796 1.482 16.448 1.00 0.00 C ATOM 879 O GLU A 85 -0.395 0.341 16.594 1.00 0.00 O ATOM 880 CB GLU A 85 0.918 3.249 17.009 1.00 0.00 C ATOM 881 CG GLU A 85 0.845 4.755 17.284 1.00 0.00 C ATOM 882 CD GLU A 85 0.749 5.000 18.794 1.00 0.00 C ATOM 883 OE1 GLU A 85 1.324 4.227 19.540 1.00 0.00 O ATOM 884 OE2 GLU A 85 0.102 5.961 19.175 1.00 0.00 O ATOM 0 HA GLU A 85 -1.216 3.303 17.460 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.753 2.810 17.554 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.100 3.071 15.949 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.728 5.251 16.881 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.021 5.185 16.780 1.00 0.00 H new ATOM 891 N HIS A 86 -1.599 1.812 15.459 1.00 0.00 N ATOM 892 CA HIS A 86 -2.050 0.777 14.467 1.00 0.00 C ATOM 893 C HIS A 86 -2.769 1.429 13.280 1.00 0.00 C ATOM 894 O HIS A 86 -3.622 2.280 13.477 1.00 0.00 O ATOM 895 CB HIS A 86 -3.033 -0.117 15.256 1.00 0.00 C ATOM 896 CG HIS A 86 -4.182 0.696 15.807 1.00 0.00 C ATOM 897 ND1 HIS A 86 -4.005 1.648 16.800 1.00 0.00 N ATOM 898 CD2 HIS A 86 -5.522 0.706 15.513 1.00 0.00 C ATOM 899 CE1 HIS A 86 -5.211 2.186 17.064 1.00 0.00 C ATOM 900 NE2 HIS A 86 -6.169 1.647 16.307 1.00 0.00 N ATOM 0 H HIS A 86 -1.961 2.752 15.296 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.210 0.219 14.053 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.418 -0.903 14.606 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.506 -0.609 16.073 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -6.002 0.078 14.777 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.382 2.959 17.798 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -7.163 1.876 16.310 1.00 0.00 H new ATOM 908 N LEU A 87 -2.464 1.021 12.054 1.00 0.00 N ATOM 909 CA LEU A 87 -3.178 1.616 10.880 1.00 0.00 C ATOM 910 C LEU A 87 -3.614 0.507 9.928 1.00 0.00 C ATOM 911 O LEU A 87 -2.849 0.070 9.085 1.00 0.00 O ATOM 912 CB LEU A 87 -2.138 2.517 10.207 1.00 0.00 C ATOM 913 CG LEU A 87 -2.810 3.389 9.143 1.00 0.00 C ATOM 914 CD1 LEU A 87 -1.924 4.599 8.847 1.00 0.00 C ATOM 915 CD2 LEU A 87 -3.000 2.579 7.857 1.00 0.00 C ATOM 0 H LEU A 87 -1.763 0.315 11.829 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.073 2.168 11.168 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.654 3.147 10.953 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.358 1.908 9.750 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.781 3.722 9.510 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.400 5.222 8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.784 5.180 9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.955 4.260 8.481 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.479 3.202 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.029 2.245 7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.628 1.712 8.063 1.00 0.00 H new ATOM 927 N TYR A 88 -4.859 0.087 10.009 1.00 0.00 N ATOM 928 CA TYR A 88 -5.348 -0.968 9.067 1.00 0.00 C ATOM 929 C TYR A 88 -6.344 -0.364 8.116 1.00 0.00 C ATOM 930 O TYR A 88 -7.195 0.409 8.529 1.00 0.00 O ATOM 931 CB TYR A 88 -5.945 -2.134 9.882 1.00 0.00 C ATOM 932 CG TYR A 88 -7.188 -1.731 10.631 1.00 0.00 C ATOM 933 CD1 TYR A 88 -7.046 -1.043 11.819 1.00 0.00 C ATOM 934 CD2 TYR A 88 -8.464 -2.077 10.162 1.00 0.00 C ATOM 935 CE1 TYR A 88 -8.151 -0.675 12.566 1.00 0.00 C ATOM 936 CE2 TYR A 88 -9.594 -1.706 10.907 1.00 0.00 C ATOM 937 CZ TYR A 88 -9.438 -1.002 12.112 1.00 0.00 C ATOM 938 OH TYR A 88 -10.546 -0.639 12.851 1.00 0.00 O ATOM 0 H TYR A 88 -5.548 0.427 10.680 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.527 -1.366 8.470 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.180 -2.960 9.211 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.200 -2.499 10.589 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.057 -0.788 12.171 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.576 -2.623 9.237 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.024 -0.138 13.495 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.582 -1.962 10.554 1.00 0.00 H new ATOM 0 HH TYR A 88 -11.358 -0.942 12.393 1.00 0.00 H new ATOM 948 N VAL A 89 -6.233 -0.676 6.838 1.00 0.00 N ATOM 949 CA VAL A 89 -7.181 -0.062 5.859 1.00 0.00 C ATOM 950 C VAL A 89 -8.086 -1.123 5.224 1.00 0.00 C ATOM 951 O VAL A 89 -7.630 -2.098 4.646 1.00 0.00 O ATOM 952 CB VAL A 89 -6.343 0.748 4.809 1.00 0.00 C ATOM 953 CG1 VAL A 89 -5.247 1.586 5.536 1.00 0.00 C ATOM 954 CG2 VAL A 89 -5.628 -0.200 3.840 1.00 0.00 C ATOM 0 H VAL A 89 -5.542 -1.315 6.444 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.859 0.627 6.362 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.031 1.395 4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.669 2.146 4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.721 2.280 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.584 0.918 6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.052 0.382 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.957 -0.853 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.365 -0.804 3.312 1.00 0.00 H new ATOM 964 N MET A 90 -9.366 -0.948 5.379 1.00 0.00 N ATOM 965 CA MET A 90 -10.344 -1.945 4.852 1.00 0.00 C ATOM 966 C MET A 90 -10.705 -1.625 3.400 1.00 0.00 C ATOM 967 O MET A 90 -11.122 -0.525 3.086 1.00 0.00 O ATOM 968 CB MET A 90 -11.541 -1.815 5.798 1.00 0.00 C ATOM 969 CG MET A 90 -11.104 -2.236 7.215 1.00 0.00 C ATOM 970 SD MET A 90 -12.557 -2.355 8.287 1.00 0.00 S ATOM 971 CE MET A 90 -13.211 -3.903 7.613 1.00 0.00 C ATOM 0 H MET A 90 -9.784 -0.148 5.854 1.00 0.00 H new ATOM 0 HA MET A 90 -9.960 -2.965 4.829 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.906 -0.788 5.805 1.00 0.00 H new ATOM 0 HB3 MET A 90 -12.363 -2.443 5.455 1.00 0.00 H new ATOM 0 HG2 MET A 90 -10.588 -3.195 7.177 1.00 0.00 H new ATOM 0 HG3 MET A 90 -10.399 -1.510 7.620 1.00 0.00 H new ATOM 0 HE1 MET A 90 -14.172 -3.714 7.135 1.00 0.00 H new ATOM 0 HE2 MET A 90 -12.513 -4.304 6.878 1.00 0.00 H new ATOM 0 HE3 MET A 90 -13.342 -4.624 8.420 1.00 0.00 H new ATOM 981 N VAL A 91 -10.520 -2.581 2.508 1.00 0.00 N ATOM 982 CA VAL A 91 -10.822 -2.335 1.063 1.00 0.00 C ATOM 983 C VAL A 91 -11.852 -3.345 0.543 1.00 0.00 C ATOM 984 O VAL A 91 -11.772 -4.529 0.820 1.00 0.00 O ATOM 985 CB VAL A 91 -9.478 -2.511 0.331 1.00 0.00 C ATOM 986 CG1 VAL A 91 -9.664 -2.241 -1.166 1.00 0.00 C ATOM 987 CG2 VAL A 91 -8.438 -1.529 0.887 1.00 0.00 C ATOM 0 H VAL A 91 -10.174 -3.516 2.724 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.247 -1.344 0.903 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.131 -3.533 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.711 -2.367 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.392 -2.942 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.022 -1.222 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.493 -1.664 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.790 -0.507 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.292 -1.718 1.951 1.00 0.00 H new ATOM 997 N ASN A 92 -12.807 -2.876 -0.223 1.00 0.00 N ATOM 998 CA ASN A 92 -13.847 -3.781 -0.793 1.00 0.00 C ATOM 999 C ASN A 92 -13.688 -3.852 -2.316 1.00 0.00 C ATOM 1000 O ASN A 92 -13.559 -2.838 -2.977 1.00 0.00 O ATOM 1001 CB ASN A 92 -15.184 -3.139 -0.422 1.00 0.00 C ATOM 1002 CG ASN A 92 -15.319 -3.086 1.102 1.00 0.00 C ATOM 1003 OD1 ASN A 92 -14.548 -2.427 1.771 1.00 0.00 O ATOM 1004 ND2 ASN A 92 -16.275 -3.759 1.683 1.00 0.00 N ATOM 0 H ASN A 92 -12.909 -1.894 -0.479 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.771 -4.799 -0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.245 -2.133 -0.838 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.006 -3.712 -0.851 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.374 -3.731 2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.923 -4.312 1.122 1.00 0.00 H new ATOM 1011 N ALA A 93 -13.693 -5.043 -2.868 1.00 0.00 N ATOM 1012 CA ALA A 93 -13.539 -5.198 -4.347 1.00 0.00 C ATOM 1013 C ALA A 93 -14.906 -5.394 -5.007 1.00 0.00 C ATOM 1014 O ALA A 93 -15.781 -6.035 -4.455 1.00 0.00 O ATOM 1015 CB ALA A 93 -12.673 -6.445 -4.527 1.00 0.00 C ATOM 0 H ALA A 93 -13.798 -5.917 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.089 -4.319 -4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.514 -6.627 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.711 -6.294 -4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.176 -7.304 -4.083 1.00 0.00 H new ATOM 1320 N PRO A 115 -16.621 -10.061 -2.633 1.00 0.00 N ATOM 1321 CA PRO A 115 -15.148 -10.058 -2.819 1.00 0.00 C ATOM 1322 C PRO A 115 -14.523 -8.854 -2.107 1.00 0.00 C ATOM 1323 O PRO A 115 -14.192 -7.861 -2.728 1.00 0.00 O ATOM 1324 CB PRO A 115 -14.971 -9.949 -4.332 1.00 0.00 C ATOM 1325 CG PRO A 115 -16.224 -9.301 -4.824 1.00 0.00 C ATOM 1326 CD PRO A 115 -17.328 -9.699 -3.881 1.00 0.00 C ATOM 0 HA PRO A 115 -14.664 -10.942 -2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.094 -9.353 -4.585 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -14.831 -10.931 -4.784 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -16.112 -8.217 -4.851 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -16.451 -9.623 -5.840 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -18.029 -8.880 -3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -17.903 -10.539 -4.272 1.00 0.00 H new ATOM 1334 N ILE A 116 -14.363 -8.945 -0.808 1.00 0.00 N ATOM 1335 CA ILE A 116 -13.761 -7.816 -0.031 1.00 0.00 C ATOM 1336 C ILE A 116 -12.440 -8.267 0.599 1.00 0.00 C ATOM 1337 O ILE A 116 -12.336 -9.366 1.117 1.00 0.00 O ATOM 1338 CB ILE A 116 -14.798 -7.474 1.049 1.00 0.00 C ATOM 1339 CG1 ILE A 116 -16.104 -7.037 0.379 1.00 0.00 C ATOM 1340 CG2 ILE A 116 -14.283 -6.333 1.936 1.00 0.00 C ATOM 1341 CD1 ILE A 116 -17.191 -6.872 1.441 1.00 0.00 C ATOM 0 H ILE A 116 -14.625 -9.758 -0.250 1.00 0.00 H new ATOM 0 HA ILE A 116 -13.536 -6.951 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 116 -14.971 -8.357 1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -15.955 -6.098 -0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -16.412 -7.777 -0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -15.027 -6.100 2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -13.354 -6.638 2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -14.102 -5.450 1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -18.121 -6.561 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -17.346 -7.821 1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -16.883 -6.116 2.163 1.00 0.00 H new ATOM 1353 N ALA A 117 -11.437 -7.421 0.559 1.00 0.00 N ATOM 1354 CA ALA A 117 -10.119 -7.778 1.154 1.00 0.00 C ATOM 1355 C ALA A 117 -9.752 -6.770 2.238 1.00 0.00 C ATOM 1356 O ALA A 117 -9.752 -5.567 1.998 1.00 0.00 O ATOM 1357 CB ALA A 117 -9.131 -7.694 -0.009 1.00 0.00 C ATOM 0 H ALA A 117 -11.480 -6.494 0.136 1.00 0.00 H new ATOM 0 HA ALA A 117 -10.121 -8.764 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.131 -7.944 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.426 -8.396 -0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -9.131 -6.682 -0.414 1.00 0.00 H new ATOM 1363 N GLU A 118 -9.442 -7.245 3.427 1.00 0.00 N ATOM 1364 CA GLU A 118 -9.073 -6.293 4.523 1.00 0.00 C ATOM 1365 C GLU A 118 -7.555 -6.148 4.603 1.00 0.00 C ATOM 1366 O GLU A 118 -6.852 -7.080 4.942 1.00 0.00 O ATOM 1367 CB GLU A 118 -9.620 -6.886 5.825 1.00 0.00 C ATOM 1368 CG GLU A 118 -11.149 -6.918 5.782 1.00 0.00 C ATOM 1369 CD GLU A 118 -11.625 -8.219 5.132 1.00 0.00 C ATOM 1370 OE1 GLU A 118 -11.819 -9.182 5.855 1.00 0.00 O ATOM 1371 OE2 GLU A 118 -11.787 -8.232 3.923 1.00 0.00 O ATOM 0 H GLU A 118 -9.429 -8.233 3.680 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.490 -5.303 4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.231 -7.894 5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.284 -6.292 6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.552 -6.837 6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.524 -6.062 5.220 1.00 0.00 H new ATOM 1378 N PHE A 119 -7.053 -4.971 4.319 1.00 0.00 N ATOM 1379 CA PHE A 119 -5.584 -4.740 4.413 1.00 0.00 C ATOM 1380 C PHE A 119 -5.333 -4.143 5.784 1.00 0.00 C ATOM 1381 O PHE A 119 -5.919 -3.131 6.118 1.00 0.00 O ATOM 1382 CB PHE A 119 -5.289 -3.729 3.279 1.00 0.00 C ATOM 1383 CG PHE A 119 -3.859 -3.180 3.329 1.00 0.00 C ATOM 1384 CD1 PHE A 119 -3.434 -2.328 4.365 1.00 0.00 C ATOM 1385 CD2 PHE A 119 -2.965 -3.496 2.296 1.00 0.00 C ATOM 1386 CE1 PHE A 119 -2.138 -1.812 4.367 1.00 0.00 C ATOM 1387 CE2 PHE A 119 -1.662 -2.978 2.305 1.00 0.00 C ATOM 1388 CZ PHE A 119 -1.250 -2.137 3.343 1.00 0.00 C ATOM 0 H PHE A 119 -7.600 -4.162 4.026 1.00 0.00 H new ATOM 0 HA PHE A 119 -4.958 -5.626 4.305 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.454 -4.212 2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.994 -2.900 3.345 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.115 -2.072 5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.281 -4.141 1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -1.821 -1.158 5.166 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.976 -3.229 1.509 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.246 -1.740 3.351 1.00 0.00 H new ATOM 1398 N ARG A 120 -4.458 -4.727 6.570 1.00 0.00 N ATOM 1399 CA ARG A 120 -4.164 -4.139 7.908 1.00 0.00 C ATOM 1400 C ARG A 120 -2.651 -4.034 8.048 1.00 0.00 C ATOM 1401 O ARG A 120 -1.962 -5.035 8.027 1.00 0.00 O ATOM 1402 CB ARG A 120 -4.784 -5.145 8.903 1.00 0.00 C ATOM 1403 CG ARG A 120 -4.335 -4.857 10.353 1.00 0.00 C ATOM 1404 CD ARG A 120 -5.547 -4.846 11.293 1.00 0.00 C ATOM 1405 NE ARG A 120 -5.807 -6.280 11.602 1.00 0.00 N ATOM 1406 CZ ARG A 120 -7.001 -6.662 11.967 1.00 0.00 C ATOM 1407 NH1 ARG A 120 -7.523 -6.205 13.072 1.00 0.00 N ATOM 1408 NH2 ARG A 120 -7.672 -7.501 11.226 1.00 0.00 N ATOM 0 H ARG A 120 -3.942 -5.577 6.342 1.00 0.00 H new ATOM 0 HA ARG A 120 -4.568 -3.140 8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -5.871 -5.096 8.841 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -4.494 -6.158 8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -3.622 -5.615 10.677 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -3.822 -3.896 10.398 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -5.338 -4.278 12.200 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.411 -4.381 10.818 1.00 0.00 H new ATOM 0 HE ARG A 120 -5.053 -6.963 11.528 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.998 -5.549 13.651 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -8.456 -6.504 13.357 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.264 -7.858 10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -8.605 -7.800 11.511 1.00 0.00 H new ATOM 1422 N PHE A 121 -2.126 -2.838 8.231 1.00 0.00 N ATOM 1423 CA PHE A 121 -0.653 -2.684 8.396 1.00 0.00 C ATOM 1424 C PHE A 121 -0.453 -2.089 9.774 1.00 0.00 C ATOM 1425 O PHE A 121 -0.854 -0.962 10.047 1.00 0.00 O ATOM 1426 CB PHE A 121 -0.167 -1.768 7.245 1.00 0.00 C ATOM 1427 CG PHE A 121 0.312 -2.590 6.019 1.00 0.00 C ATOM 1428 CD1 PHE A 121 -0.312 -3.799 5.649 1.00 0.00 C ATOM 1429 CD2 PHE A 121 1.391 -2.138 5.247 1.00 0.00 C ATOM 1430 CE1 PHE A 121 0.120 -4.535 4.556 1.00 0.00 C ATOM 1431 CE2 PHE A 121 1.823 -2.889 4.133 1.00 0.00 C ATOM 1432 CZ PHE A 121 1.179 -4.092 3.795 1.00 0.00 C ATOM 0 H PHE A 121 -2.659 -1.970 8.272 1.00 0.00 H new ATOM 0 HA PHE A 121 -0.082 -3.611 8.337 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -0.976 -1.103 6.943 1.00 0.00 H new ATOM 0 HB3 PHE A 121 0.648 -1.138 7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -1.147 -4.161 6.231 1.00 0.00 H new ATOM 0 HD2 PHE A 121 1.891 -1.216 5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -0.376 -5.460 4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 121 2.652 -2.538 3.537 1.00 0.00 H new ATOM 0 HZ PHE A 121 1.513 -4.666 2.943 1.00 0.00 H new ATOM 1442 N VAL A 122 0.077 -2.874 10.678 1.00 0.00 N ATOM 1443 CA VAL A 122 0.183 -2.386 12.084 1.00 0.00 C ATOM 1444 C VAL A 122 1.626 -2.476 12.629 1.00 0.00 C ATOM 1445 O VAL A 122 2.183 -3.557 12.683 1.00 0.00 O ATOM 1446 CB VAL A 122 -0.805 -3.282 12.880 1.00 0.00 C ATOM 1447 CG1 VAL A 122 -0.982 -2.712 14.275 1.00 0.00 C ATOM 1448 CG2 VAL A 122 -2.203 -3.363 12.202 1.00 0.00 C ATOM 0 H VAL A 122 0.434 -3.814 10.507 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.066 -1.328 12.169 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.382 -4.286 12.912 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.675 -3.337 14.838 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.018 -2.689 14.784 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.380 -1.700 14.207 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.859 -4.000 12.795 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.633 -2.364 12.134 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.098 -3.782 11.201 1.00 0.00 H new ATOM 1458 N PRO A 123 2.208 -1.345 13.012 1.00 0.00 N ATOM 1459 CA PRO A 123 3.585 -1.355 13.531 1.00 0.00 C ATOM 1460 C PRO A 123 3.603 -1.396 15.059 1.00 0.00 C ATOM 1461 O PRO A 123 2.657 -0.990 15.710 1.00 0.00 O ATOM 1462 CB PRO A 123 4.133 -0.015 13.056 1.00 0.00 C ATOM 1463 CG PRO A 123 2.936 0.882 12.903 1.00 0.00 C ATOM 1464 CD PRO A 123 1.688 0.029 12.983 1.00 0.00 C ATOM 0 HA PRO A 123 4.154 -2.221 13.193 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.841 0.396 13.776 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.665 -0.122 12.111 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.928 1.641 13.686 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.976 1.408 11.949 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.104 0.255 13.875 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.035 0.192 12.125 1.00 0.00 H new ATOM 1472 N SER A 124 4.693 -1.851 15.625 1.00 0.00 N ATOM 1473 CA SER A 124 4.821 -1.889 17.112 1.00 0.00 C ATOM 1474 C SER A 124 5.651 -0.682 17.573 1.00 0.00 C ATOM 1475 O SER A 124 6.368 -0.749 18.555 1.00 0.00 O ATOM 1476 CB SER A 124 5.548 -3.198 17.415 1.00 0.00 C ATOM 1477 OG SER A 124 5.973 -3.197 18.772 1.00 0.00 O ATOM 0 H SER A 124 5.505 -2.200 15.116 1.00 0.00 H new ATOM 0 HA SER A 124 3.861 -1.842 17.625 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.888 -4.045 17.229 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.407 -3.312 16.753 1.00 0.00 H new ATOM 0 HG SER A 124 6.567 -2.434 18.928 1.00 0.00 H new ATOM 1483 N ASP A 125 5.563 0.413 16.850 1.00 0.00 N ATOM 1484 CA ASP A 125 6.348 1.635 17.210 1.00 0.00 C ATOM 1485 C ASP A 125 5.498 2.892 17.038 1.00 0.00 C ATOM 1486 O ASP A 125 5.066 3.217 15.947 1.00 0.00 O ATOM 1487 CB ASP A 125 7.523 1.636 16.231 1.00 0.00 C ATOM 1488 CG ASP A 125 8.452 2.816 16.532 1.00 0.00 C ATOM 1489 OD1 ASP A 125 8.560 3.182 17.691 1.00 0.00 O ATOM 1490 OD2 ASP A 125 9.041 3.333 15.598 1.00 0.00 O ATOM 0 H ASP A 125 4.976 0.510 16.021 1.00 0.00 H new ATOM 0 HA ASP A 125 6.676 1.628 18.250 1.00 0.00 H new ATOM 0 HB2 ASP A 125 8.074 0.699 16.310 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.155 1.704 15.207 1.00 0.00 H new ATOM 1495 N LYS A 126 5.274 3.618 18.116 1.00 0.00 N ATOM 1496 CA LYS A 126 4.468 4.882 18.031 1.00 0.00 C ATOM 1497 C LYS A 126 5.156 5.853 17.061 1.00 0.00 C ATOM 1498 O LYS A 126 4.514 6.586 16.329 1.00 0.00 O ATOM 1499 CB LYS A 126 4.424 5.451 19.460 1.00 0.00 C ATOM 1500 CG LYS A 126 5.842 5.758 19.968 1.00 0.00 C ATOM 1501 CD LYS A 126 5.760 6.368 21.369 1.00 0.00 C ATOM 1502 CE LYS A 126 5.404 5.277 22.381 1.00 0.00 C ATOM 1503 NZ LYS A 126 5.363 5.973 23.697 1.00 0.00 N ATOM 0 H LYS A 126 5.615 3.388 19.049 1.00 0.00 H new ATOM 0 HA LYS A 126 3.458 4.713 17.658 1.00 0.00 H new ATOM 0 HB2 LYS A 126 3.822 6.360 19.476 1.00 0.00 H new ATOM 0 HB3 LYS A 126 3.941 4.736 20.126 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.437 4.845 19.991 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.342 6.448 19.288 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.712 6.827 21.633 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.009 7.157 21.390 1.00 0.00 H new ATOM 0 HE2 LYS A 126 4.443 4.819 22.146 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.147 4.479 22.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 5.125 5.290 24.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 6.293 6.393 23.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 4.643 6.723 23.671 1.00 0.00 H new ATOM 1517 N SER A 127 6.468 5.822 17.045 1.00 0.00 N ATOM 1518 CA SER A 127 7.235 6.700 16.114 1.00 0.00 C ATOM 1519 C SER A 127 6.964 6.256 14.677 1.00 0.00 C ATOM 1520 O SER A 127 6.977 7.063 13.760 1.00 0.00 O ATOM 1521 CB SER A 127 8.711 6.500 16.471 1.00 0.00 C ATOM 1522 OG SER A 127 9.501 7.423 15.732 1.00 0.00 O ATOM 0 H SER A 127 7.040 5.223 17.640 1.00 0.00 H new ATOM 0 HA SER A 127 6.952 7.749 16.200 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.862 6.648 17.540 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.017 5.479 16.245 1.00 0.00 H new ATOM 0 HG SER A 127 10.446 7.299 15.959 1.00 0.00 H new ATOM 1528 N ALA A 128 6.709 4.975 14.474 1.00 0.00 N ATOM 1529 CA ALA A 128 6.424 4.485 13.088 1.00 0.00 C ATOM 1530 C ALA A 128 5.045 4.976 12.637 1.00 0.00 C ATOM 1531 O ALA A 128 4.853 5.332 11.487 1.00 0.00 O ATOM 1532 CB ALA A 128 6.453 2.959 13.171 1.00 0.00 C ATOM 0 H ALA A 128 6.687 4.261 15.202 1.00 0.00 H new ATOM 0 HA ALA A 128 7.152 4.854 12.366 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.251 2.537 12.186 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.435 2.632 13.511 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.693 2.618 13.874 1.00 0.00 H new ATOM 1538 N LEU A 129 4.088 4.999 13.540 1.00 0.00 N ATOM 1539 CA LEU A 129 2.711 5.469 13.171 1.00 0.00 C ATOM 1540 C LEU A 129 2.731 6.965 12.842 1.00 0.00 C ATOM 1541 O LEU A 129 2.168 7.382 11.842 1.00 0.00 O ATOM 1542 CB LEU A 129 1.834 5.194 14.405 1.00 0.00 C ATOM 1543 CG LEU A 129 0.513 4.516 13.996 1.00 0.00 C ATOM 1544 CD1 LEU A 129 -0.270 5.410 13.026 1.00 0.00 C ATOM 1545 CD2 LEU A 129 0.805 3.159 13.334 1.00 0.00 C ATOM 0 H LEU A 129 4.201 4.714 14.513 1.00 0.00 H new ATOM 0 HA LEU A 129 2.329 4.956 12.289 1.00 0.00 H new ATOM 0 HB2 LEU A 129 2.374 4.557 15.106 1.00 0.00 H new ATOM 0 HB3 LEU A 129 1.623 6.130 14.923 1.00 0.00 H new ATOM 0 HG LEU A 129 -0.090 4.358 14.890 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -1.201 4.916 12.747 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.494 6.361 13.509 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.328 5.589 12.132 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.134 2.685 13.047 1.00 0.00 H new ATOM 0 HD22 LEU A 129 1.420 3.312 12.447 1.00 0.00 H new ATOM 0 HD23 LEU A 129 1.335 2.518 14.038 1.00 0.00 H new ATOM 1557 N GLU A 130 3.379 7.772 13.662 1.00 0.00 N ATOM 1558 CA GLU A 130 3.433 9.243 13.373 1.00 0.00 C ATOM 1559 C GLU A 130 4.179 9.469 12.053 1.00 0.00 C ATOM 1560 O GLU A 130 3.837 10.352 11.278 1.00 0.00 O ATOM 1561 CB GLU A 130 4.160 9.885 14.563 1.00 0.00 C ATOM 1562 CG GLU A 130 5.582 9.336 14.697 1.00 0.00 C ATOM 1563 CD GLU A 130 6.319 10.104 15.797 1.00 0.00 C ATOM 1564 OE1 GLU A 130 6.188 9.723 16.947 1.00 0.00 O ATOM 1565 OE2 GLU A 130 7.001 11.060 15.468 1.00 0.00 O ATOM 0 H GLU A 130 3.866 7.476 14.508 1.00 0.00 H new ATOM 0 HA GLU A 130 2.444 9.687 13.259 1.00 0.00 H new ATOM 0 HB2 GLU A 130 4.195 10.967 14.432 1.00 0.00 H new ATOM 0 HB3 GLU A 130 3.604 9.692 15.481 1.00 0.00 H new ATOM 0 HG2 GLU A 130 5.553 8.273 14.937 1.00 0.00 H new ATOM 0 HG3 GLU A 130 6.113 9.435 13.750 1.00 0.00 H new ATOM 1572 N ALA A 131 5.173 8.650 11.778 1.00 0.00 N ATOM 1573 CA ALA A 131 5.925 8.783 10.490 1.00 0.00 C ATOM 1574 C ALA A 131 4.967 8.485 9.336 1.00 0.00 C ATOM 1575 O ALA A 131 4.981 9.144 8.313 1.00 0.00 O ATOM 1576 CB ALA A 131 7.043 7.737 10.549 1.00 0.00 C ATOM 0 H ALA A 131 5.492 7.899 12.390 1.00 0.00 H new ATOM 0 HA ALA A 131 6.337 9.781 10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.632 7.782 9.633 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.687 7.940 11.405 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.607 6.743 10.651 1.00 0.00 H new ATOM 1582 N MET A 132 4.114 7.504 9.523 1.00 0.00 N ATOM 1583 CA MET A 132 3.115 7.156 8.468 1.00 0.00 C ATOM 1584 C MET A 132 2.152 8.330 8.291 1.00 0.00 C ATOM 1585 O MET A 132 1.717 8.621 7.194 1.00 0.00 O ATOM 1586 CB MET A 132 2.371 5.921 8.985 1.00 0.00 C ATOM 1587 CG MET A 132 3.259 4.686 8.827 1.00 0.00 C ATOM 1588 SD MET A 132 2.357 3.218 9.382 1.00 0.00 S ATOM 1589 CE MET A 132 3.706 2.030 9.174 1.00 0.00 C ATOM 0 H MET A 132 4.069 6.929 10.365 1.00 0.00 H new ATOM 0 HA MET A 132 3.580 6.954 7.503 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.103 6.057 10.033 1.00 0.00 H new ATOM 0 HB3 MET A 132 1.441 5.786 8.433 1.00 0.00 H new ATOM 0 HG2 MET A 132 3.557 4.570 7.785 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.173 4.806 9.409 1.00 0.00 H new ATOM 0 HE1 MET A 132 3.296 1.023 9.097 1.00 0.00 H new ATOM 0 HE2 MET A 132 4.262 2.266 8.267 1.00 0.00 H new ATOM 0 HE3 MET A 132 4.374 2.084 10.033 1.00 0.00 H new ATOM 1599 N PHE A 133 1.826 9.006 9.370 1.00 0.00 N ATOM 1600 CA PHE A 133 0.896 10.178 9.284 1.00 0.00 C ATOM 1601 C PHE A 133 1.527 11.258 8.442 1.00 0.00 C ATOM 1602 O PHE A 133 0.863 11.890 7.642 1.00 0.00 O ATOM 1603 CB PHE A 133 0.666 10.631 10.743 1.00 0.00 C ATOM 1604 CG PHE A 133 -0.353 9.733 11.476 1.00 0.00 C ATOM 1605 CD1 PHE A 133 -0.745 8.472 10.963 1.00 0.00 C ATOM 1606 CD2 PHE A 133 -0.895 10.176 12.690 1.00 0.00 C ATOM 1607 CE1 PHE A 133 -1.663 7.682 11.657 1.00 0.00 C ATOM 1608 CE2 PHE A 133 -1.816 9.378 13.383 1.00 0.00 C ATOM 1609 CZ PHE A 133 -2.201 8.135 12.867 1.00 0.00 C ATOM 0 H PHE A 133 2.166 8.795 10.308 1.00 0.00 H new ATOM 0 HA PHE A 133 -0.055 9.935 8.810 1.00 0.00 H new ATOM 0 HB2 PHE A 133 1.614 10.616 11.280 1.00 0.00 H new ATOM 0 HB3 PHE A 133 0.311 11.662 10.751 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -0.331 8.120 10.030 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -0.602 11.134 13.093 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.958 6.722 11.260 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -2.230 9.724 14.319 1.00 0.00 H new ATOM 0 HZ PHE A 133 -2.913 7.525 13.403 1.00 0.00 H new ATOM 1619 N THR A 134 2.817 11.441 8.580 1.00 0.00 N ATOM 1620 CA THR A 134 3.516 12.448 7.734 1.00 0.00 C ATOM 1621 C THR A 134 3.487 11.943 6.290 1.00 0.00 C ATOM 1622 O THR A 134 3.359 12.711 5.353 1.00 0.00 O ATOM 1623 CB THR A 134 4.951 12.521 8.265 1.00 0.00 C ATOM 1624 OG1 THR A 134 4.926 12.808 9.656 1.00 0.00 O ATOM 1625 CG2 THR A 134 5.713 13.625 7.529 1.00 0.00 C ATOM 0 H THR A 134 3.411 10.938 9.239 1.00 0.00 H new ATOM 0 HA THR A 134 3.054 13.435 7.764 1.00 0.00 H new ATOM 0 HB THR A 134 5.449 11.566 8.100 1.00 0.00 H new ATOM 0 HG1 THR A 134 5.844 12.853 9.997 1.00 0.00 H new ATOM 0 HG21 THR A 134 6.734 13.677 7.907 1.00 0.00 H new ATOM 0 HG22 THR A 134 5.732 13.405 6.462 1.00 0.00 H new ATOM 0 HG23 THR A 134 5.217 14.581 7.693 1.00 0.00 H new ATOM 1633 N ALA A 135 3.579 10.638 6.115 1.00 0.00 N ATOM 1634 CA ALA A 135 3.526 10.054 4.734 1.00 0.00 C ATOM 1635 C ALA A 135 2.115 10.203 4.157 1.00 0.00 C ATOM 1636 O ALA A 135 1.933 10.624 3.031 1.00 0.00 O ATOM 1637 CB ALA A 135 3.884 8.576 4.901 1.00 0.00 C ATOM 0 H ALA A 135 3.688 9.958 6.868 1.00 0.00 H new ATOM 0 HA ALA A 135 4.209 10.557 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.865 8.085 3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 135 4.882 8.490 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.161 8.099 5.563 1.00 0.00 H new ATOM 1643 N MET A 136 1.117 9.856 4.938 1.00 0.00 N ATOM 1644 CA MET A 136 -0.301 9.966 4.468 1.00 0.00 C ATOM 1645 C MET A 136 -0.720 11.430 4.387 1.00 0.00 C ATOM 1646 O MET A 136 -1.305 11.860 3.409 1.00 0.00 O ATOM 1647 CB MET A 136 -1.144 9.229 5.513 1.00 0.00 C ATOM 1648 CG MET A 136 -1.107 7.725 5.241 1.00 0.00 C ATOM 1649 SD MET A 136 -2.456 6.919 6.140 1.00 0.00 S ATOM 1650 CE MET A 136 -2.089 5.223 5.624 1.00 0.00 C ATOM 0 H MET A 136 1.226 9.499 5.887 1.00 0.00 H new ATOM 0 HA MET A 136 -0.429 9.538 3.474 1.00 0.00 H new ATOM 0 HB2 MET A 136 -0.763 9.436 6.513 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.173 9.588 5.483 1.00 0.00 H new ATOM 0 HG2 MET A 136 -1.203 7.535 4.172 1.00 0.00 H new ATOM 0 HG3 MET A 136 -0.148 7.311 5.554 1.00 0.00 H new ATOM 0 HE1 MET A 136 -3.007 4.636 5.623 1.00 0.00 H new ATOM 0 HE2 MET A 136 -1.663 5.232 4.621 1.00 0.00 H new ATOM 0 HE3 MET A 136 -1.375 4.778 6.317 1.00 0.00 H new ATOM 1660 N CYS A 137 -0.434 12.191 5.418 1.00 0.00 N ATOM 1661 CA CYS A 137 -0.826 13.642 5.420 1.00 0.00 C ATOM 1662 C CYS A 137 -0.176 14.375 4.243 1.00 0.00 C ATOM 1663 O CYS A 137 -0.821 15.148 3.555 1.00 0.00 O ATOM 1664 CB CYS A 137 -0.312 14.205 6.748 1.00 0.00 C ATOM 1665 SG CYS A 137 -0.978 15.870 6.996 1.00 0.00 S ATOM 0 H CYS A 137 0.052 11.873 6.257 1.00 0.00 H new ATOM 0 HA CYS A 137 -1.904 13.768 5.317 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -0.611 13.556 7.571 1.00 0.00 H new ATOM 0 HB3 CYS A 137 0.778 14.234 6.745 1.00 0.00 H new ATOM 0 HG CYS A 137 -0.543 16.348 8.124 1.00 0.00 H new ATOM 1671 N GLU A 138 1.094 14.134 4.006 1.00 0.00 N ATOM 1672 CA GLU A 138 1.798 14.813 2.869 1.00 0.00 C ATOM 1673 C GLU A 138 1.298 14.259 1.540 1.00 0.00 C ATOM 1674 O GLU A 138 1.153 14.979 0.568 1.00 0.00 O ATOM 1675 CB GLU A 138 3.284 14.506 3.061 1.00 0.00 C ATOM 1676 CG GLU A 138 3.811 15.270 4.279 1.00 0.00 C ATOM 1677 CD GLU A 138 5.307 14.997 4.458 1.00 0.00 C ATOM 1678 OE1 GLU A 138 5.740 13.905 4.123 1.00 0.00 O ATOM 1679 OE2 GLU A 138 5.998 15.884 4.929 1.00 0.00 O ATOM 0 H GLU A 138 1.673 13.496 4.552 1.00 0.00 H new ATOM 0 HA GLU A 138 1.614 15.887 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 138 3.430 13.435 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 138 3.843 14.791 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 138 3.640 16.339 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.267 14.966 5.173 1.00 0.00 H new ATOM 1686 N CYS A 139 1.033 12.986 1.508 1.00 0.00 N ATOM 1687 CA CYS A 139 0.528 12.338 0.256 1.00 0.00 C ATOM 1688 C CYS A 139 -0.911 12.779 -0.015 1.00 0.00 C ATOM 1689 O CYS A 139 -1.308 12.968 -1.153 1.00 0.00 O ATOM 1690 CB CYS A 139 0.589 10.832 0.521 1.00 0.00 C ATOM 1691 SG CYS A 139 0.131 9.933 -0.982 1.00 0.00 S ATOM 0 H CYS A 139 1.144 12.355 2.301 1.00 0.00 H new ATOM 0 HA CYS A 139 1.120 12.614 -0.617 1.00 0.00 H new ATOM 0 HB2 CYS A 139 1.593 10.548 0.835 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.086 10.568 1.335 1.00 0.00 H new ATOM 0 HG CYS A 139 0.185 8.654 -0.756 1.00 0.00 H new ATOM 1697 N GLN A 140 -1.692 12.944 1.028 1.00 0.00 N ATOM 1698 CA GLN A 140 -3.116 13.376 0.855 1.00 0.00 C ATOM 1699 C GLN A 140 -3.171 14.832 0.398 1.00 0.00 C ATOM 1700 O GLN A 140 -3.953 15.187 -0.467 1.00 0.00 O ATOM 1701 CB GLN A 140 -3.763 13.227 2.234 1.00 0.00 C ATOM 1702 CG GLN A 140 -4.478 11.879 2.319 1.00 0.00 C ATOM 1703 CD GLN A 140 -5.247 11.791 3.627 1.00 0.00 C ATOM 1704 OE1 GLN A 140 -6.124 12.588 3.896 1.00 0.00 O ATOM 1705 NE2 GLN A 140 -4.947 10.838 4.458 1.00 0.00 N ATOM 0 H GLN A 140 -1.402 12.797 1.995 1.00 0.00 H new ATOM 0 HA GLN A 140 -3.632 12.780 0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -3.004 13.298 3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -4.471 14.038 2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.160 11.764 1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -3.753 11.067 2.256 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.210 10.172 4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -5.449 10.756 5.342 1.00 0.00 H new ATOM 1714 N ALA A 141 -2.346 15.674 0.975 1.00 0.00 N ATOM 1715 CA ALA A 141 -2.340 17.119 0.584 1.00 0.00 C ATOM 1716 C ALA A 141 -1.759 17.280 -0.823 1.00 0.00 C ATOM 1717 O ALA A 141 -2.202 18.114 -1.593 1.00 0.00 O ATOM 1718 CB ALA A 141 -1.456 17.824 1.615 1.00 0.00 C ATOM 0 H ALA A 141 -1.676 15.422 1.701 1.00 0.00 H new ATOM 0 HA ALA A 141 -3.345 17.540 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -1.409 18.889 1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -1.877 17.685 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -0.452 17.401 1.583 1.00 0.00 H new ATOM 1724 N LEU A 142 -0.769 16.485 -1.157 1.00 0.00 N ATOM 1725 CA LEU A 142 -0.142 16.578 -2.516 1.00 0.00 C ATOM 1726 C LEU A 142 -1.098 16.038 -3.584 1.00 0.00 C ATOM 1727 O LEU A 142 -1.146 16.544 -4.692 1.00 0.00 O ATOM 1728 CB LEU A 142 1.120 15.720 -2.446 1.00 0.00 C ATOM 1729 CG LEU A 142 2.107 16.185 -3.529 1.00 0.00 C ATOM 1730 CD1 LEU A 142 3.529 16.139 -2.976 1.00 0.00 C ATOM 1731 CD2 LEU A 142 2.003 15.266 -4.748 1.00 0.00 C ATOM 0 H LEU A 142 -0.367 15.774 -0.546 1.00 0.00 H new ATOM 0 HA LEU A 142 0.086 17.609 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.577 15.804 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.869 14.670 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 142 1.865 17.206 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 142 4.229 16.469 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.604 16.797 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 142 3.771 15.119 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 142 2.704 15.598 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.243 14.244 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.988 15.301 -5.144 1.00 0.00 H new