USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 674 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 91 THR OG1 : rot 180:sc= 0.817 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -8.07! C(o=-13!,f=-11!) USER MOD Set 2.2: A 98 ASN : amide:sc= -4.71! C(o=-13!,f=-8.7!) USER MOD Set 3.1: A 24 TYR OH : rot -77:sc= 0.0763 USER MOD Set 3.2: A 83 ASN : amide:sc= -12.2! C(o=-28!,f=-10!) USER MOD Set 3.3: A 84 ASN : amide:sc= -7.43! C(o=-28!,f=-10!) USER MOD Set 3.4: A 85 GLN : amide:sc= -8.21! C(o=-28!,f=-10!) USER MOD Set 4.1: A 27 HIS : no HE2:sc= -12! C(o=-13!,f=-20!) USER MOD Set 4.2: A 57 TYR OH : rot -127:sc= -0.759! USER MOD Set 5.1: A 9 ASN : amide:sc= -17.6! C(o=-26!,f=-29!) USER MOD Set 5.2: A 11 TYR OH : rot 42:sc= -8.71! USER MOD Set 6.1: A 6 CYS SG : rot -34:sc= -25.9! USER MOD Set 6.2: A 103 CYS SG : rot -172:sc= -37.6! USER MOD Set 7.1: A 2 CYS SG : rot -3:sc= 0.167 USER MOD Set 7.2: A 10 CYS SG : rot 180:sc= -7.81! USER MOD Single : A 4 TYR OH : rot -29:sc= -4.15! USER MOD Single : A 5 THR OG1 : rot -83:sc= -0.81! USER MOD Single : A 8 SER OG : rot 70:sc= 0.948 USER MOD Single : A 12 SER OG : rot -5:sc= 0.884 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -22.4! C(o=-22!,f=-29!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 36 ASN : amide:sc= -2.36! C(o=-2.4!,f=-3.9!) USER MOD Single : A 37 SER OG : rot 65:sc= 1.13 USER MOD Single : A 38 TYR OH : rot 62:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -8.79! C(o=-8.7!,f=-11!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 59:sc= -4.66! USER MOD Single : A 43 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.093) USER MOD Single : A 44 ASN : amide:sc= -4.09! C(o=-4.1!,f=-1.4!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -20:sc= 0.152 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 50:sc= -1.73! USER MOD Single : A 69 SER OG : rot 66:sc= 0.466 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -47.9! C(o=-48!,f=-29!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -21.5! C(o=-21!,f=-14!) USER MOD Single : A 104 THR OG1 : rot -63:sc= 0.708 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -4.927 -14.531 -6.443 1.00 0.00 N ATOM 12 CA CYS A 2 -3.864 -13.760 -5.822 1.00 0.00 C ATOM 13 C CYS A 2 -3.602 -12.524 -6.683 1.00 0.00 C ATOM 14 O CYS A 2 -2.504 -12.350 -7.209 1.00 0.00 O ATOM 15 CB CYS A 2 -2.598 -14.597 -5.626 1.00 0.00 C ATOM 16 SG CYS A 2 -2.742 -16.343 -6.156 1.00 0.00 S ATOM 0 HA CYS A 2 -4.173 -13.448 -4.824 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -1.782 -14.131 -6.178 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -2.324 -14.574 -4.571 1.00 0.00 H new ATOM 0 HG CYS A 2 -3.956 -16.575 -6.559 1.00 0.00 H new ATOM 21 N ASP A 3 -4.629 -11.694 -6.800 1.00 0.00 N ATOM 22 CA ASP A 3 -4.524 -10.478 -7.588 1.00 0.00 C ATOM 23 C ASP A 3 -3.164 -9.827 -7.334 1.00 0.00 C ATOM 24 O ASP A 3 -2.629 -9.137 -8.200 1.00 0.00 O ATOM 25 CB ASP A 3 -5.610 -9.474 -7.199 1.00 0.00 C ATOM 26 CG ASP A 3 -7.046 -9.970 -7.383 1.00 0.00 C ATOM 27 OD1 ASP A 3 -7.406 -10.936 -6.676 1.00 0.00 O ATOM 28 OD2 ASP A 3 -7.750 -9.373 -8.225 1.00 0.00 O ATOM 0 H ASP A 3 -5.538 -11.840 -6.362 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.641 -10.746 -8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.469 -9.196 -6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.476 -8.569 -7.791 1.00 0.00 H new ATOM 33 N TYR A 4 -2.642 -10.068 -6.139 1.00 0.00 N ATOM 34 CA TYR A 4 -1.354 -9.513 -5.759 1.00 0.00 C ATOM 35 C TYR A 4 -0.528 -10.533 -4.973 1.00 0.00 C ATOM 36 O TYR A 4 -0.860 -10.861 -3.835 1.00 0.00 O ATOM 37 CB TYR A 4 -1.661 -8.317 -4.855 1.00 0.00 C ATOM 38 CG TYR A 4 -2.596 -7.283 -5.485 1.00 0.00 C ATOM 39 CD1 TYR A 4 -2.118 -6.419 -6.450 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.916 -7.214 -5.090 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.998 -5.446 -7.044 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.795 -6.242 -5.684 1.00 0.00 C ATOM 43 CZ TYR A 4 -4.293 -5.405 -6.632 1.00 0.00 C ATOM 44 OH TYR A 4 -5.123 -4.486 -7.192 1.00 0.00 O ATOM 0 H TYR A 4 -3.088 -10.640 -5.422 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.781 -9.233 -6.643 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.108 -8.680 -3.930 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.725 -7.828 -4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.085 -6.473 -6.759 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.290 -7.890 -4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.637 -4.764 -7.800 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.831 -6.178 -5.384 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.604 -3.701 -7.467 1.00 0.00 H new ATOM 54 N THR A 5 0.531 -11.007 -5.611 1.00 0.00 N ATOM 55 CA THR A 5 1.407 -11.983 -4.987 1.00 0.00 C ATOM 56 C THR A 5 2.823 -11.418 -4.849 1.00 0.00 C ATOM 57 O THR A 5 3.567 -11.355 -5.826 1.00 0.00 O ATOM 58 CB THR A 5 1.344 -13.271 -5.810 1.00 0.00 C ATOM 59 OG1 THR A 5 0.178 -13.934 -5.329 1.00 0.00 O ATOM 60 CG2 THR A 5 2.484 -14.235 -5.478 1.00 0.00 C ATOM 0 H THR A 5 0.803 -10.733 -6.555 1.00 0.00 H new ATOM 0 HA THR A 5 1.082 -12.213 -3.972 1.00 0.00 H new ATOM 0 HB THR A 5 1.375 -13.025 -6.871 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.397 -14.430 -4.512 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.392 -15.132 -6.090 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.440 -13.753 -5.683 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.434 -14.508 -4.424 1.00 0.00 H new ATOM 68 N CYS A 6 3.152 -11.022 -3.629 1.00 0.00 N ATOM 69 CA CYS A 6 4.465 -10.466 -3.351 1.00 0.00 C ATOM 70 C CYS A 6 5.463 -11.620 -3.241 1.00 0.00 C ATOM 71 O CYS A 6 5.987 -11.891 -2.161 1.00 0.00 O ATOM 72 CB CYS A 6 4.456 -9.596 -2.092 1.00 0.00 C ATOM 73 SG CYS A 6 3.791 -7.908 -2.329 1.00 0.00 S ATOM 0 H CYS A 6 2.532 -11.075 -2.821 1.00 0.00 H new ATOM 0 HA CYS A 6 4.763 -9.807 -4.166 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.867 -10.099 -1.325 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.475 -9.520 -1.713 1.00 0.00 H new ATOM 0 HG CYS A 6 4.107 -7.480 -3.515 1.00 0.00 H new ATOM 78 N GLY A 7 5.696 -12.269 -4.372 1.00 0.00 N ATOM 79 CA GLY A 7 6.622 -13.388 -4.416 1.00 0.00 C ATOM 80 C GLY A 7 5.916 -14.697 -4.055 1.00 0.00 C ATOM 81 O GLY A 7 6.078 -15.704 -4.743 1.00 0.00 O ATOM 0 H GLY A 7 5.259 -12.041 -5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.056 -13.467 -5.413 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.445 -13.211 -3.724 1.00 0.00 H new ATOM 85 N SER A 8 5.150 -14.641 -2.975 1.00 0.00 N ATOM 86 CA SER A 8 4.420 -15.810 -2.515 1.00 0.00 C ATOM 87 C SER A 8 3.285 -15.384 -1.581 1.00 0.00 C ATOM 88 O SER A 8 3.130 -15.936 -0.494 1.00 0.00 O ATOM 89 CB SER A 8 5.350 -16.796 -1.805 1.00 0.00 C ATOM 90 OG SER A 8 5.372 -16.587 -0.395 1.00 0.00 O ATOM 0 H SER A 8 5.019 -13.805 -2.406 1.00 0.00 H new ATOM 0 HA SER A 8 3.997 -16.313 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.027 -17.815 -2.016 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.360 -16.693 -2.203 1.00 0.00 H new ATOM 0 HG SER A 8 4.512 -16.858 -0.011 1.00 0.00 H new ATOM 96 N ASN A 9 2.521 -14.403 -2.040 1.00 0.00 N ATOM 97 CA ASN A 9 1.404 -13.897 -1.259 1.00 0.00 C ATOM 98 C ASN A 9 0.114 -14.047 -2.066 1.00 0.00 C ATOM 99 O ASN A 9 0.087 -14.745 -3.078 1.00 0.00 O ATOM 100 CB ASN A 9 1.589 -12.414 -0.934 1.00 0.00 C ATOM 101 CG ASN A 9 2.968 -12.153 -0.325 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.104 -11.758 0.822 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.981 -12.396 -1.152 1.00 0.00 N ATOM 0 H ASN A 9 2.653 -13.945 -2.942 1.00 0.00 H new ATOM 0 HA ASN A 9 1.354 -14.467 -0.331 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.470 -11.822 -1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.814 -12.091 -0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.941 -12.253 -0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.798 -12.725 -2.100 1.00 0.00 H new ATOM 110 N CYS A 10 -0.926 -13.380 -1.588 1.00 0.00 N ATOM 111 CA CYS A 10 -2.218 -13.430 -2.253 1.00 0.00 C ATOM 112 C CYS A 10 -3.141 -12.408 -1.587 1.00 0.00 C ATOM 113 O CYS A 10 -4.016 -12.773 -0.805 1.00 0.00 O ATOM 114 CB CYS A 10 -2.813 -14.839 -2.225 1.00 0.00 C ATOM 115 SG CYS A 10 -4.367 -15.034 -3.172 1.00 0.00 S ATOM 0 H CYS A 10 -0.901 -12.802 -0.748 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.098 -13.177 -3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.075 -15.538 -2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.998 -15.120 -1.188 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.779 -16.264 -3.081 1.00 0.00 H new ATOM 120 N TYR A 11 -2.912 -11.145 -1.921 1.00 0.00 N ATOM 121 CA TYR A 11 -3.712 -10.067 -1.366 1.00 0.00 C ATOM 122 C TYR A 11 -4.919 -9.765 -2.257 1.00 0.00 C ATOM 123 O TYR A 11 -5.197 -8.605 -2.559 1.00 0.00 O ATOM 124 CB TYR A 11 -2.799 -8.840 -1.330 1.00 0.00 C ATOM 125 CG TYR A 11 -1.378 -9.136 -0.846 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.139 -9.374 0.492 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.335 -9.166 -1.750 1.00 0.00 C ATOM 128 CE1 TYR A 11 0.198 -9.652 0.946 1.00 0.00 C ATOM 129 CE2 TYR A 11 1.003 -9.445 -1.295 1.00 0.00 C ATOM 130 CZ TYR A 11 1.204 -9.673 0.031 1.00 0.00 C ATOM 131 OH TYR A 11 2.467 -9.937 0.460 1.00 0.00 O ATOM 0 H TYR A 11 -2.184 -10.845 -2.569 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.088 -10.337 -0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.749 -8.408 -2.329 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.244 -8.087 -0.679 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.955 -9.352 1.199 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.522 -8.980 -2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.398 -9.840 1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.828 -9.473 -1.991 1.00 0.00 H new ATOM 0 HH TYR A 11 2.444 -10.665 1.115 1.00 0.00 H new ATOM 141 N SER A 12 -5.603 -10.828 -2.653 1.00 0.00 N ATOM 142 CA SER A 12 -6.773 -10.690 -3.504 1.00 0.00 C ATOM 143 C SER A 12 -7.394 -9.304 -3.319 1.00 0.00 C ATOM 144 O SER A 12 -7.305 -8.719 -2.241 1.00 0.00 O ATOM 145 CB SER A 12 -7.805 -11.779 -3.201 1.00 0.00 C ATOM 146 OG SER A 12 -8.370 -12.323 -4.391 1.00 0.00 O ATOM 0 H SER A 12 -5.370 -11.788 -2.401 1.00 0.00 H new ATOM 0 HA SER A 12 -6.458 -10.804 -4.541 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.333 -12.576 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.598 -11.364 -2.579 1.00 0.00 H new ATOM 0 HG SER A 12 -8.041 -11.823 -5.167 1.00 0.00 H new ATOM 152 N SER A 13 -8.009 -8.819 -4.388 1.00 0.00 N ATOM 153 CA SER A 13 -8.645 -7.514 -4.357 1.00 0.00 C ATOM 154 C SER A 13 -9.321 -7.292 -3.003 1.00 0.00 C ATOM 155 O SER A 13 -9.522 -6.153 -2.583 1.00 0.00 O ATOM 156 CB SER A 13 -9.663 -7.370 -5.489 1.00 0.00 C ATOM 157 OG SER A 13 -10.907 -7.988 -5.170 1.00 0.00 O ATOM 0 H SER A 13 -8.080 -9.307 -5.281 1.00 0.00 H new ATOM 0 HA SER A 13 -7.875 -6.756 -4.499 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.826 -6.313 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.260 -7.815 -6.398 1.00 0.00 H new ATOM 0 HG SER A 13 -11.531 -7.873 -5.917 1.00 0.00 H new ATOM 163 N SER A 14 -9.655 -8.399 -2.356 1.00 0.00 N ATOM 164 CA SER A 14 -10.305 -8.341 -1.058 1.00 0.00 C ATOM 165 C SER A 14 -9.261 -8.133 0.041 1.00 0.00 C ATOM 166 O SER A 14 -9.577 -7.619 1.113 1.00 0.00 O ATOM 167 CB SER A 14 -11.112 -9.613 -0.789 1.00 0.00 C ATOM 168 OG SER A 14 -11.851 -9.529 0.427 1.00 0.00 O ATOM 0 H SER A 14 -9.487 -9.342 -2.707 1.00 0.00 H new ATOM 0 HA SER A 14 -10.996 -7.498 -1.059 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.797 -9.790 -1.618 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.437 -10.468 -0.745 1.00 0.00 H new ATOM 0 HG SER A 14 -12.354 -10.359 0.562 1.00 0.00 H new ATOM 174 N ASP A 15 -8.039 -8.542 -0.263 1.00 0.00 N ATOM 175 CA ASP A 15 -6.946 -8.406 0.686 1.00 0.00 C ATOM 176 C ASP A 15 -6.385 -6.985 0.611 1.00 0.00 C ATOM 177 O ASP A 15 -5.867 -6.466 1.599 1.00 0.00 O ATOM 178 CB ASP A 15 -5.812 -9.380 0.363 1.00 0.00 C ATOM 179 CG ASP A 15 -5.791 -10.654 1.210 1.00 0.00 C ATOM 180 OD1 ASP A 15 -6.457 -11.626 0.790 1.00 0.00 O ATOM 181 OD2 ASP A 15 -5.111 -10.628 2.259 1.00 0.00 O ATOM 0 H ASP A 15 -7.781 -8.968 -1.153 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.335 -8.622 1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.884 -9.662 -0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.861 -8.862 0.490 1.00 0.00 H new ATOM 186 N VAL A 16 -6.506 -6.397 -0.570 1.00 0.00 N ATOM 187 CA VAL A 16 -6.017 -5.046 -0.787 1.00 0.00 C ATOM 188 C VAL A 16 -6.988 -4.049 -0.153 1.00 0.00 C ATOM 189 O VAL A 16 -6.645 -3.371 0.814 1.00 0.00 O ATOM 190 CB VAL A 16 -5.801 -4.801 -2.281 1.00 0.00 C ATOM 191 CG1 VAL A 16 -5.298 -3.379 -2.537 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.842 -5.836 -2.873 1.00 0.00 C ATOM 0 H VAL A 16 -6.936 -6.831 -1.387 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.049 -4.909 -0.305 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.763 -4.911 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.153 -3.232 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.031 -2.662 -2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.351 -3.229 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.706 -5.639 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.879 -5.772 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.257 -6.835 -2.739 1.00 0.00 H new ATOM 202 N SER A 17 -8.184 -3.991 -0.722 1.00 0.00 N ATOM 203 CA SER A 17 -9.208 -3.089 -0.225 1.00 0.00 C ATOM 204 C SER A 17 -9.153 -3.026 1.303 1.00 0.00 C ATOM 205 O SER A 17 -9.135 -1.942 1.883 1.00 0.00 O ATOM 206 CB SER A 17 -10.599 -3.524 -0.689 1.00 0.00 C ATOM 207 OG SER A 17 -11.615 -2.631 -0.240 1.00 0.00 O ATOM 0 H SER A 17 -8.466 -4.555 -1.524 1.00 0.00 H new ATOM 0 HA SER A 17 -9.014 -2.096 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.618 -3.577 -1.778 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.808 -4.527 -0.317 1.00 0.00 H new ATOM 0 HG SER A 17 -12.488 -2.942 -0.558 1.00 0.00 H new ATOM 213 N THR A 18 -9.129 -4.204 1.910 1.00 0.00 N ATOM 214 CA THR A 18 -9.077 -4.297 3.359 1.00 0.00 C ATOM 215 C THR A 18 -7.922 -3.456 3.907 1.00 0.00 C ATOM 216 O THR A 18 -8.119 -2.625 4.793 1.00 0.00 O ATOM 217 CB THR A 18 -8.982 -5.777 3.735 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.339 -6.187 3.879 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.380 -5.992 5.125 1.00 0.00 C ATOM 0 H THR A 18 -9.145 -5.101 1.425 1.00 0.00 H new ATOM 0 HA THR A 18 -9.979 -3.888 3.814 1.00 0.00 H new ATOM 0 HB THR A 18 -8.379 -6.301 2.993 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.370 -7.136 4.121 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.336 -7.059 5.341 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.374 -5.574 5.154 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.001 -5.496 5.871 1.00 0.00 H new ATOM 227 N ALA A 19 -6.741 -3.700 3.357 1.00 0.00 N ATOM 228 CA ALA A 19 -5.555 -2.977 3.779 1.00 0.00 C ATOM 229 C ALA A 19 -5.753 -1.482 3.515 1.00 0.00 C ATOM 230 O ALA A 19 -5.418 -0.650 4.356 1.00 0.00 O ATOM 231 CB ALA A 19 -4.329 -3.540 3.057 1.00 0.00 C ATOM 0 H ALA A 19 -6.581 -4.389 2.622 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.389 -3.103 4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.439 -2.997 3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.216 -4.596 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.458 -3.429 1.980 1.00 0.00 H new ATOM 237 N GLN A 20 -6.297 -1.189 2.343 1.00 0.00 N ATOM 238 CA GLN A 20 -6.544 0.189 1.957 1.00 0.00 C ATOM 239 C GLN A 20 -7.485 0.861 2.960 1.00 0.00 C ATOM 240 O GLN A 20 -7.155 1.905 3.521 1.00 0.00 O ATOM 241 CB GLN A 20 -7.109 0.268 0.537 1.00 0.00 C ATOM 242 CG GLN A 20 -6.367 -0.686 -0.402 1.00 0.00 C ATOM 243 CD GLN A 20 -7.192 -0.969 -1.659 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.362 -2.102 -2.077 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.694 0.120 -2.234 1.00 0.00 N ATOM 0 H GLN A 20 -6.574 -1.883 1.648 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.594 0.724 1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.170 0.019 0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.025 1.289 0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.407 -0.253 -0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.155 -1.621 0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.513 1.039 -1.831 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.261 0.036 -3.078 1.00 0.00 H new ATOM 254 N ALA A 21 -8.637 0.235 3.153 1.00 0.00 N ATOM 255 CA ALA A 21 -9.627 0.759 4.077 1.00 0.00 C ATOM 256 C ALA A 21 -8.915 1.433 5.252 1.00 0.00 C ATOM 257 O ALA A 21 -9.363 2.468 5.744 1.00 0.00 O ATOM 258 CB ALA A 21 -10.553 -0.371 4.528 1.00 0.00 C ATOM 0 H ALA A 21 -8.906 -0.630 2.685 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.246 1.513 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.296 0.022 5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.056 -0.797 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.968 -1.145 5.024 1.00 0.00 H new ATOM 264 N ALA A 22 -7.817 0.819 5.669 1.00 0.00 N ATOM 265 CA ALA A 22 -7.040 1.346 6.777 1.00 0.00 C ATOM 266 C ALA A 22 -6.268 2.581 6.310 1.00 0.00 C ATOM 267 O ALA A 22 -6.355 3.642 6.926 1.00 0.00 O ATOM 268 CB ALA A 22 -6.117 0.252 7.319 1.00 0.00 C ATOM 0 H ALA A 22 -7.447 -0.039 5.259 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.694 1.655 7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.534 0.647 8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.716 -0.591 7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.444 -0.080 6.529 1.00 0.00 H new ATOM 274 N GLY A 23 -5.528 2.402 5.225 1.00 0.00 N ATOM 275 CA GLY A 23 -4.740 3.490 4.669 1.00 0.00 C ATOM 276 C GLY A 23 -5.593 4.748 4.488 1.00 0.00 C ATOM 277 O GLY A 23 -5.130 5.857 4.746 1.00 0.00 O ATOM 0 H GLY A 23 -5.457 1.521 4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.899 3.708 5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.323 3.188 3.708 1.00 0.00 H new ATOM 281 N TYR A 24 -6.823 4.531 4.047 1.00 0.00 N ATOM 282 CA TYR A 24 -7.744 5.634 3.828 1.00 0.00 C ATOM 283 C TYR A 24 -8.279 6.172 5.157 1.00 0.00 C ATOM 284 O TYR A 24 -7.889 7.252 5.597 1.00 0.00 O ATOM 285 CB TYR A 24 -8.907 5.057 3.020 1.00 0.00 C ATOM 286 CG TYR A 24 -10.093 6.012 2.868 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.874 7.368 2.730 1.00 0.00 C ATOM 288 CD2 TYR A 24 -11.381 5.518 2.869 1.00 0.00 C ATOM 289 CE1 TYR A 24 -10.990 8.267 2.587 1.00 0.00 C ATOM 290 CE2 TYR A 24 -12.497 6.417 2.727 1.00 0.00 C ATOM 291 CZ TYR A 24 -12.247 7.747 2.592 1.00 0.00 C ATOM 292 OH TYR A 24 -13.300 8.596 2.457 1.00 0.00 O ATOM 0 H TYR A 24 -7.204 3.609 3.835 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.245 6.456 3.314 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.546 4.781 2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.251 4.141 3.500 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.866 7.755 2.729 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.552 4.457 2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.832 9.330 2.478 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.510 6.043 2.728 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.459 9.058 3.307 1.00 0.00 H new ATOM 302 N LYS A 25 -9.165 5.393 5.761 1.00 0.00 N ATOM 303 CA LYS A 25 -9.758 5.778 7.030 1.00 0.00 C ATOM 304 C LYS A 25 -8.716 6.518 7.871 1.00 0.00 C ATOM 305 O LYS A 25 -8.982 7.607 8.378 1.00 0.00 O ATOM 306 CB LYS A 25 -10.362 4.559 7.731 1.00 0.00 C ATOM 307 CG LYS A 25 -10.296 4.713 9.252 1.00 0.00 C ATOM 308 CD LYS A 25 -8.929 4.285 9.789 1.00 0.00 C ATOM 309 CE LYS A 25 -9.079 3.283 10.935 1.00 0.00 C ATOM 310 NZ LYS A 25 -9.571 3.961 12.155 1.00 0.00 N ATOM 0 H LYS A 25 -9.486 4.497 5.395 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.587 6.468 6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.399 4.432 7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.826 3.659 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.489 5.751 9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.077 4.111 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.342 3.839 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.380 5.161 10.136 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.772 2.493 10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.120 2.807 11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.667 3.267 12.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.895 4.699 12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.497 4.394 11.962 1.00 0.00 H new ATOM 324 N LEU A 26 -7.551 5.897 7.994 1.00 0.00 N ATOM 325 CA LEU A 26 -6.469 6.483 8.765 1.00 0.00 C ATOM 326 C LEU A 26 -5.967 7.743 8.056 1.00 0.00 C ATOM 327 O LEU A 26 -5.612 8.724 8.705 1.00 0.00 O ATOM 328 CB LEU A 26 -5.374 5.446 9.024 1.00 0.00 C ATOM 329 CG LEU A 26 -4.109 5.964 9.713 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.434 6.543 11.091 1.00 0.00 C ATOM 331 CD2 LEU A 26 -3.039 4.872 9.788 1.00 0.00 C ATOM 0 H LEU A 26 -7.334 4.994 7.572 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.825 6.790 9.748 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.795 4.647 9.634 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.089 5.002 8.070 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.700 6.775 9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.518 6.904 11.559 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.136 7.370 10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.880 5.768 11.715 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.151 5.266 10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.423 4.024 10.355 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.780 4.547 8.780 1.00 0.00 H new ATOM 343 N HIS A 27 -5.955 7.673 6.733 1.00 0.00 N ATOM 344 CA HIS A 27 -5.503 8.797 5.929 1.00 0.00 C ATOM 345 C HIS A 27 -6.449 9.981 6.125 1.00 0.00 C ATOM 346 O HIS A 27 -6.002 11.114 6.308 1.00 0.00 O ATOM 347 CB HIS A 27 -5.359 8.390 4.460 1.00 0.00 C ATOM 348 CG HIS A 27 -5.415 9.549 3.495 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.509 10.595 3.527 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.274 9.815 2.469 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.819 11.447 2.561 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.914 10.962 1.907 1.00 0.00 N ATOM 0 H HIS A 27 -6.251 6.857 6.198 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.512 9.110 6.259 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.412 7.867 4.329 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.150 7.683 4.210 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.734 10.693 4.183 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.106 9.197 2.166 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.297 12.364 2.332 1.00 0.00 H new ATOM 361 N GLU A 28 -7.739 9.682 6.082 1.00 0.00 N ATOM 362 CA GLU A 28 -8.753 10.710 6.253 1.00 0.00 C ATOM 363 C GLU A 28 -8.700 11.276 7.673 1.00 0.00 C ATOM 364 O GLU A 28 -9.104 12.414 7.907 1.00 0.00 O ATOM 365 CB GLU A 28 -10.145 10.164 5.931 1.00 0.00 C ATOM 366 CG GLU A 28 -10.085 8.677 5.580 1.00 0.00 C ATOM 367 CD GLU A 28 -11.478 8.132 5.258 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.428 8.943 5.301 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.560 6.917 4.976 1.00 0.00 O ATOM 0 H GLU A 28 -8.106 8.742 5.931 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.545 11.519 5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.804 10.313 6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.574 10.721 5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.426 8.528 4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.657 8.120 6.413 1.00 0.00 H new ATOM 376 N ASP A 29 -8.198 10.456 8.584 1.00 0.00 N ATOM 377 CA ASP A 29 -8.087 10.860 9.975 1.00 0.00 C ATOM 378 C ASP A 29 -6.835 11.721 10.154 1.00 0.00 C ATOM 379 O ASP A 29 -6.740 12.496 11.103 1.00 0.00 O ATOM 380 CB ASP A 29 -7.958 9.644 10.895 1.00 0.00 C ATOM 381 CG ASP A 29 -9.082 8.613 10.765 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.251 9.054 10.705 1.00 0.00 O ATOM 383 OD2 ASP A 29 -8.747 7.410 10.728 1.00 0.00 O ATOM 0 H ASP A 29 -7.863 9.513 8.386 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.988 11.416 10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.008 9.151 10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.921 9.991 11.928 1.00 0.00 H new ATOM 388 N GLY A 30 -5.905 11.555 9.224 1.00 0.00 N ATOM 389 CA GLY A 30 -4.662 12.307 9.267 1.00 0.00 C ATOM 390 C GLY A 30 -3.721 11.751 10.337 1.00 0.00 C ATOM 391 O GLY A 30 -2.808 12.443 10.786 1.00 0.00 O ATOM 0 H GLY A 30 -5.987 10.911 8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.175 12.267 8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.874 13.356 9.474 1.00 0.00 H new ATOM 395 N GLU A 31 -3.976 10.508 10.717 1.00 0.00 N ATOM 396 CA GLU A 31 -3.163 9.852 11.726 1.00 0.00 C ATOM 397 C GLU A 31 -2.098 8.977 11.063 1.00 0.00 C ATOM 398 O GLU A 31 -2.044 8.880 9.838 1.00 0.00 O ATOM 399 CB GLU A 31 -4.031 9.030 12.681 1.00 0.00 C ATOM 400 CG GLU A 31 -4.571 9.901 13.817 1.00 0.00 C ATOM 401 CD GLU A 31 -3.475 10.212 14.838 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.550 10.967 14.464 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.586 9.689 15.967 1.00 0.00 O ATOM 0 H GLU A 31 -4.735 9.938 10.344 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.660 10.620 12.314 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.861 8.586 12.132 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.446 8.208 13.094 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.968 10.831 13.410 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.398 9.390 14.310 1.00 0.00 H new ATOM 410 N THR A 32 -1.278 8.360 11.901 1.00 0.00 N ATOM 411 CA THR A 32 -0.217 7.496 11.412 1.00 0.00 C ATOM 412 C THR A 32 -0.218 6.168 12.172 1.00 0.00 C ATOM 413 O THR A 32 -1.001 5.981 13.101 1.00 0.00 O ATOM 414 CB THR A 32 1.104 8.259 11.523 1.00 0.00 C ATOM 415 OG1 THR A 32 1.282 8.442 12.925 1.00 0.00 O ATOM 416 CG2 THR A 32 1.007 9.683 10.971 1.00 0.00 C ATOM 0 H THR A 32 -1.327 8.441 12.917 1.00 0.00 H new ATOM 0 HA THR A 32 -0.371 7.235 10.365 1.00 0.00 H new ATOM 0 HB THR A 32 1.883 7.715 10.988 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.117 8.928 13.088 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.972 10.180 11.074 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.728 9.647 9.918 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.252 10.238 11.527 1.00 0.00 H new ATOM 424 N VAL A 33 0.669 5.280 11.747 1.00 0.00 N ATOM 425 CA VAL A 33 0.781 3.975 12.376 1.00 0.00 C ATOM 426 C VAL A 33 2.258 3.647 12.603 1.00 0.00 C ATOM 427 O VAL A 33 3.124 4.136 11.879 1.00 0.00 O ATOM 428 CB VAL A 33 0.059 2.923 11.531 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.319 3.423 11.093 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.904 2.517 10.321 1.00 0.00 C ATOM 0 H VAL A 33 1.317 5.439 10.975 1.00 0.00 H new ATOM 0 HA VAL A 33 0.295 3.979 13.352 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.086 2.038 12.151 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.811 2.656 10.494 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.924 3.639 11.973 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.205 4.330 10.499 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.368 1.769 9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.095 3.392 9.700 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.852 2.100 10.662 1.00 0.00 H new ATOM 440 N GLY A 34 2.501 2.824 13.613 1.00 0.00 N ATOM 441 CA GLY A 34 3.858 2.427 13.945 1.00 0.00 C ATOM 442 C GLY A 34 4.742 3.650 14.198 1.00 0.00 C ATOM 443 O GLY A 34 4.245 4.714 14.563 1.00 0.00 O ATOM 0 H GLY A 34 1.780 2.421 14.212 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.848 1.792 14.831 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.276 1.834 13.132 1.00 0.00 H new ATOM 447 N SER A 35 6.036 3.457 13.995 1.00 0.00 N ATOM 448 CA SER A 35 6.994 4.532 14.196 1.00 0.00 C ATOM 449 C SER A 35 7.328 5.192 12.858 1.00 0.00 C ATOM 450 O SER A 35 8.495 5.437 12.557 1.00 0.00 O ATOM 451 CB SER A 35 8.267 4.015 14.867 1.00 0.00 C ATOM 452 OG SER A 35 8.575 2.680 14.474 1.00 0.00 O ATOM 0 H SER A 35 6.445 2.572 13.693 1.00 0.00 H new ATOM 0 HA SER A 35 6.544 5.274 14.856 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.101 4.669 14.613 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.148 4.056 15.950 1.00 0.00 H new ATOM 0 HG SER A 35 9.396 2.388 14.923 1.00 0.00 H new ATOM 458 N ASN A 36 6.283 5.463 12.089 1.00 0.00 N ATOM 459 CA ASN A 36 6.452 6.090 10.790 1.00 0.00 C ATOM 460 C ASN A 36 5.346 7.127 10.581 1.00 0.00 C ATOM 461 O ASN A 36 4.649 7.495 11.526 1.00 0.00 O ATOM 462 CB ASN A 36 6.351 5.059 9.663 1.00 0.00 C ATOM 463 CG ASN A 36 7.739 4.682 9.140 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.762 5.094 9.664 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.718 3.879 8.081 1.00 0.00 N ATOM 0 H ASN A 36 5.316 5.259 12.341 1.00 0.00 H new ATOM 0 HA ASN A 36 7.437 6.556 10.766 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.840 4.167 10.026 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.749 5.462 8.849 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.593 3.571 7.657 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.827 3.571 7.692 1.00 0.00 H new ATOM 472 N SER A 37 5.220 7.569 9.338 1.00 0.00 N ATOM 473 CA SER A 37 4.211 8.556 8.994 1.00 0.00 C ATOM 474 C SER A 37 3.237 7.973 7.967 1.00 0.00 C ATOM 475 O SER A 37 2.803 8.671 7.052 1.00 0.00 O ATOM 476 CB SER A 37 4.853 9.834 8.451 1.00 0.00 C ATOM 477 OG SER A 37 5.042 9.779 7.040 1.00 0.00 O ATOM 0 H SER A 37 5.800 7.262 8.557 1.00 0.00 H new ATOM 0 HA SER A 37 3.662 8.814 9.900 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.224 10.689 8.699 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.814 9.992 8.940 1.00 0.00 H new ATOM 0 HG SER A 37 4.170 9.736 6.595 1.00 0.00 H new ATOM 483 N TYR A 38 2.923 6.700 8.153 1.00 0.00 N ATOM 484 CA TYR A 38 2.010 6.015 7.254 1.00 0.00 C ATOM 485 C TYR A 38 0.574 6.080 7.779 1.00 0.00 C ATOM 486 O TYR A 38 0.350 6.080 8.988 1.00 0.00 O ATOM 487 CB TYR A 38 2.463 4.555 7.224 1.00 0.00 C ATOM 488 CG TYR A 38 3.839 4.343 6.588 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.834 5.282 6.770 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.084 3.215 5.833 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.129 5.083 6.170 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.379 3.016 5.235 1.00 0.00 C ATOM 493 CZ TYR A 38 6.337 3.960 5.433 1.00 0.00 C ATOM 494 OH TYR A 38 7.560 3.773 4.868 1.00 0.00 O ATOM 0 H TYR A 38 3.285 6.124 8.913 1.00 0.00 H new ATOM 0 HA TYR A 38 2.024 6.477 6.267 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.482 4.170 8.244 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.726 3.968 6.676 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.642 6.165 7.361 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.305 2.481 5.690 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.917 5.810 6.303 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.584 2.137 4.643 1.00 0.00 H new ATOM 0 HH TYR A 38 8.239 3.710 5.572 1.00 0.00 H new ATOM 504 N PRO A 39 -0.387 6.135 6.818 1.00 0.00 N ATOM 505 CA PRO A 39 -0.036 6.131 5.408 1.00 0.00 C ATOM 506 C PRO A 39 0.521 7.489 4.977 1.00 0.00 C ATOM 507 O PRO A 39 0.784 8.350 5.816 1.00 0.00 O ATOM 508 CB PRO A 39 -1.321 5.759 4.684 1.00 0.00 C ATOM 509 CG PRO A 39 -2.446 6.023 5.671 1.00 0.00 C ATOM 510 CD PRO A 39 -1.827 6.202 7.048 1.00 0.00 C ATOM 0 HA PRO A 39 0.758 5.421 5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.447 6.355 3.780 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.308 4.713 4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.004 6.915 5.384 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.153 5.193 5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.114 7.156 7.490 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.155 5.421 7.734 1.00 0.00 H new ATOM 518 N HIS A 40 0.684 7.639 3.671 1.00 0.00 N ATOM 519 CA HIS A 40 1.205 8.878 3.119 1.00 0.00 C ATOM 520 C HIS A 40 1.326 8.752 1.599 1.00 0.00 C ATOM 521 O HIS A 40 1.162 7.665 1.048 1.00 0.00 O ATOM 522 CB HIS A 40 2.527 9.257 3.790 1.00 0.00 C ATOM 523 CG HIS A 40 3.676 8.340 3.445 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.319 8.370 2.221 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.289 7.367 4.179 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.274 7.452 2.226 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.255 6.832 3.441 1.00 0.00 N ATOM 0 H HIS A 40 0.464 6.923 2.979 1.00 0.00 H new ATOM 0 HA HIS A 40 0.512 9.693 3.327 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.789 10.275 3.503 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.387 9.257 4.871 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.096 8.994 1.445 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.032 7.081 5.188 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.949 7.233 1.412 1.00 0.00 H new ATOM 536 N LYS A 41 1.610 9.880 0.965 1.00 0.00 N ATOM 537 CA LYS A 41 1.754 9.909 -0.481 1.00 0.00 C ATOM 538 C LYS A 41 2.716 8.803 -0.915 1.00 0.00 C ATOM 539 O LYS A 41 3.372 8.182 -0.081 1.00 0.00 O ATOM 540 CB LYS A 41 2.171 11.306 -0.949 1.00 0.00 C ATOM 541 CG LYS A 41 1.393 11.718 -2.200 1.00 0.00 C ATOM 542 CD LYS A 41 1.717 13.161 -2.595 1.00 0.00 C ATOM 543 CE LYS A 41 1.085 14.153 -1.616 1.00 0.00 C ATOM 544 NZ LYS A 41 1.903 15.383 -1.526 1.00 0.00 N ATOM 0 H LYS A 41 1.744 10.780 1.425 1.00 0.00 H new ATOM 0 HA LYS A 41 0.798 9.708 -0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.995 12.028 -0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.240 11.319 -1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.639 11.047 -3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.323 11.618 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.798 13.302 -2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.352 13.357 -3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.076 14.403 -1.943 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.996 13.695 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.461 16.046 -0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.858 15.141 -1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.966 15.828 -2.464 1.00 0.00 H new ATOM 558 N TYR A 42 2.770 8.589 -2.222 1.00 0.00 N ATOM 559 CA TYR A 42 3.641 7.568 -2.778 1.00 0.00 C ATOM 560 C TYR A 42 4.048 7.915 -4.211 1.00 0.00 C ATOM 561 O TYR A 42 4.598 7.077 -4.925 1.00 0.00 O ATOM 562 CB TYR A 42 2.823 6.277 -2.791 1.00 0.00 C ATOM 563 CG TYR A 42 3.425 5.166 -3.654 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.138 5.109 -5.003 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.254 4.222 -3.085 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.706 4.063 -5.816 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.821 3.177 -3.896 1.00 0.00 C ATOM 568 CZ TYR A 42 4.519 3.150 -5.222 1.00 0.00 C ATOM 569 OH TYR A 42 5.054 2.162 -5.990 1.00 0.00 O ATOM 0 H TYR A 42 2.224 9.106 -2.912 1.00 0.00 H new ATOM 0 HA TYR A 42 4.553 7.479 -2.187 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.721 5.914 -1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.819 6.499 -3.152 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.488 5.848 -5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.478 4.267 -2.029 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.491 4.006 -6.873 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.471 2.432 -3.462 1.00 0.00 H new ATOM 0 HH TYR A 42 5.593 2.559 -6.706 1.00 0.00 H new ATOM 579 N ASN A 43 3.761 9.151 -4.592 1.00 0.00 N ATOM 580 CA ASN A 43 4.089 9.619 -5.928 1.00 0.00 C ATOM 581 C ASN A 43 4.905 8.547 -6.652 1.00 0.00 C ATOM 582 O ASN A 43 6.134 8.590 -6.648 1.00 0.00 O ATOM 583 CB ASN A 43 4.928 10.897 -5.873 1.00 0.00 C ATOM 584 CG ASN A 43 4.053 12.137 -6.071 1.00 0.00 C ATOM 585 OD1 ASN A 43 4.172 12.864 -7.044 1.00 0.00 O ATOM 586 ND2 ASN A 43 3.170 12.337 -5.096 1.00 0.00 N ATOM 0 H ASN A 43 3.304 9.843 -3.998 1.00 0.00 H new ATOM 0 HA ASN A 43 3.156 9.823 -6.453 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.440 10.959 -4.913 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.698 10.864 -6.644 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.540 13.138 -5.135 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.123 11.689 -4.310 1.00 0.00 H new ATOM 593 N ASN A 44 4.189 7.612 -7.258 1.00 0.00 N ATOM 594 CA ASN A 44 4.832 6.531 -7.985 1.00 0.00 C ATOM 595 C ASN A 44 5.813 7.119 -9.003 1.00 0.00 C ATOM 596 O ASN A 44 5.795 8.321 -9.263 1.00 0.00 O ATOM 597 CB ASN A 44 3.804 5.693 -8.749 1.00 0.00 C ATOM 598 CG ASN A 44 3.377 6.392 -10.041 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.376 7.088 -10.098 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.190 6.170 -11.070 1.00 0.00 N ATOM 0 H ASN A 44 3.169 7.581 -7.261 1.00 0.00 H new ATOM 0 HA ASN A 44 5.348 5.899 -7.262 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.227 4.716 -8.983 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.931 5.520 -8.120 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.992 6.593 -11.977 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.011 5.576 -10.952 1.00 0.00 H new ATOM 607 N TYR A 45 6.643 6.245 -9.550 1.00 0.00 N ATOM 608 CA TYR A 45 7.629 6.661 -10.532 1.00 0.00 C ATOM 609 C TYR A 45 8.414 5.461 -11.066 1.00 0.00 C ATOM 610 O TYR A 45 8.656 5.358 -12.268 1.00 0.00 O ATOM 611 CB TYR A 45 8.589 7.597 -9.796 1.00 0.00 C ATOM 612 CG TYR A 45 8.284 9.083 -9.992 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.214 9.470 -10.774 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.077 10.037 -9.388 1.00 0.00 C ATOM 615 CE1 TYR A 45 6.926 10.869 -10.960 1.00 0.00 C ATOM 616 CE2 TYR A 45 8.789 11.436 -9.573 1.00 0.00 C ATOM 617 CZ TYR A 45 7.728 11.783 -10.350 1.00 0.00 C ATOM 618 OH TYR A 45 7.457 13.104 -10.524 1.00 0.00 O ATOM 0 H TYR A 45 6.653 5.249 -9.332 1.00 0.00 H new ATOM 0 HA TYR A 45 7.144 7.143 -11.381 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.558 7.368 -8.731 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.606 7.398 -10.135 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.593 8.724 -11.246 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.914 9.735 -8.776 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.093 11.185 -11.570 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.402 12.192 -9.105 1.00 0.00 H new ATOM 0 HH TYR A 45 8.111 13.640 -10.029 1.00 0.00 H new ATOM 628 N GLU A 46 8.790 4.585 -10.146 1.00 0.00 N ATOM 629 CA GLU A 46 9.543 3.396 -10.510 1.00 0.00 C ATOM 630 C GLU A 46 8.952 2.758 -11.768 1.00 0.00 C ATOM 631 O GLU A 46 9.625 1.991 -12.455 1.00 0.00 O ATOM 632 CB GLU A 46 9.578 2.395 -9.353 1.00 0.00 C ATOM 633 CG GLU A 46 10.280 2.993 -8.132 1.00 0.00 C ATOM 634 CD GLU A 46 10.959 4.319 -8.485 1.00 0.00 C ATOM 635 OE1 GLU A 46 12.120 4.258 -8.942 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.300 5.363 -8.288 1.00 0.00 O ATOM 0 H GLU A 46 8.588 4.674 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 46 10.570 3.691 -10.724 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.561 2.105 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.096 1.489 -9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.556 3.152 -7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.022 2.290 -7.754 1.00 0.00 H new ATOM 643 N GLY A 47 7.699 3.098 -12.034 1.00 0.00 N ATOM 644 CA GLY A 47 7.010 2.567 -13.198 1.00 0.00 C ATOM 645 C GLY A 47 5.836 1.679 -12.783 1.00 0.00 C ATOM 646 O GLY A 47 5.775 0.509 -13.160 1.00 0.00 O ATOM 0 H GLY A 47 7.143 3.735 -11.463 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.648 3.388 -13.817 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.708 1.992 -13.807 1.00 0.00 H new ATOM 650 N PHE A 48 4.933 2.267 -12.012 1.00 0.00 N ATOM 651 CA PHE A 48 3.765 1.543 -11.543 1.00 0.00 C ATOM 652 C PHE A 48 2.528 1.900 -12.370 1.00 0.00 C ATOM 653 O PHE A 48 2.324 3.062 -12.717 1.00 0.00 O ATOM 654 CB PHE A 48 3.530 1.966 -10.091 1.00 0.00 C ATOM 655 CG PHE A 48 4.581 1.438 -9.112 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.472 0.178 -8.613 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.623 2.229 -8.740 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.447 -0.314 -7.704 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.597 1.738 -7.832 1.00 0.00 C ATOM 660 CZ PHE A 48 6.490 0.478 -7.333 1.00 0.00 C ATOM 0 H PHE A 48 4.987 3.237 -11.701 1.00 0.00 H new ATOM 0 HA PHE A 48 3.933 0.470 -11.634 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.514 3.055 -10.038 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.547 1.617 -9.776 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.644 -0.449 -8.908 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.709 3.230 -9.135 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.361 -1.315 -7.308 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.424 2.366 -7.537 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.232 0.106 -6.643 1.00 0.00 H new ATOM 670 N ASP A 49 1.736 0.879 -12.663 1.00 0.00 N ATOM 671 CA ASP A 49 0.526 1.070 -13.445 1.00 0.00 C ATOM 672 C ASP A 49 -0.684 1.073 -12.508 1.00 0.00 C ATOM 673 O ASP A 49 -1.423 0.093 -12.442 1.00 0.00 O ATOM 674 CB ASP A 49 0.339 -0.062 -14.456 1.00 0.00 C ATOM 675 CG ASP A 49 1.634 -0.711 -14.948 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.222 -1.476 -14.155 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.007 -0.425 -16.107 1.00 0.00 O ATOM 0 H ASP A 49 1.909 -0.084 -12.373 1.00 0.00 H new ATOM 0 HA ASP A 49 0.613 2.017 -13.978 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.287 -0.832 -14.005 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.205 0.326 -15.317 1.00 0.00 H new ATOM 682 N PHE A 50 -0.849 2.187 -11.809 1.00 0.00 N ATOM 683 CA PHE A 50 -1.957 2.330 -10.880 1.00 0.00 C ATOM 684 C PHE A 50 -3.246 2.702 -11.617 1.00 0.00 C ATOM 685 O PHE A 50 -3.309 3.735 -12.280 1.00 0.00 O ATOM 686 CB PHE A 50 -1.589 3.461 -9.917 1.00 0.00 C ATOM 687 CG PHE A 50 -0.417 3.133 -8.991 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.086 1.869 -8.950 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.122 4.104 -8.205 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.174 1.565 -8.090 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.210 3.800 -7.345 1.00 0.00 C ATOM 692 CZ PHE A 50 1.712 2.537 -7.306 1.00 0.00 C ATOM 0 H PHE A 50 -0.234 2.999 -11.868 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.128 1.389 -10.357 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.343 4.351 -10.496 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.461 3.706 -9.310 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.343 1.097 -9.572 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.278 5.107 -8.235 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.574 0.562 -8.059 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.639 4.571 -6.722 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.539 2.305 -6.651 1.00 0.00 H new ATOM 702 N SER A 51 -4.240 1.839 -11.475 1.00 0.00 N ATOM 703 CA SER A 51 -5.524 2.063 -12.118 1.00 0.00 C ATOM 704 C SER A 51 -6.359 3.042 -11.292 1.00 0.00 C ATOM 705 O SER A 51 -7.584 3.065 -11.402 1.00 0.00 O ATOM 706 CB SER A 51 -6.281 0.747 -12.309 1.00 0.00 C ATOM 707 OG SER A 51 -6.620 0.141 -11.065 1.00 0.00 O ATOM 0 H SER A 51 -4.183 0.983 -10.924 1.00 0.00 H new ATOM 0 HA SER A 51 -5.343 2.492 -13.103 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.190 0.931 -12.882 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.670 0.059 -12.893 1.00 0.00 H new ATOM 0 HG SER A 51 -7.103 -0.695 -11.230 1.00 0.00 H new ATOM 713 N VAL A 52 -5.664 3.826 -10.482 1.00 0.00 N ATOM 714 CA VAL A 52 -6.327 4.806 -9.636 1.00 0.00 C ATOM 715 C VAL A 52 -5.687 6.178 -9.855 1.00 0.00 C ATOM 716 O VAL A 52 -4.540 6.271 -10.290 1.00 0.00 O ATOM 717 CB VAL A 52 -6.283 4.351 -8.176 1.00 0.00 C ATOM 718 CG1 VAL A 52 -7.011 3.017 -7.995 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.840 4.262 -7.673 1.00 0.00 C ATOM 0 H VAL A 52 -4.648 3.803 -10.393 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.380 4.893 -9.904 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.801 5.099 -7.576 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.965 2.716 -6.948 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.053 3.128 -8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.534 2.256 -8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.837 3.937 -6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.287 3.545 -8.279 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.367 5.241 -7.748 1.00 0.00 H new ATOM 729 N SER A 53 -6.458 7.210 -9.544 1.00 0.00 N ATOM 730 CA SER A 53 -5.980 8.574 -9.701 1.00 0.00 C ATOM 731 C SER A 53 -5.404 9.083 -8.379 1.00 0.00 C ATOM 732 O SER A 53 -5.925 8.769 -7.309 1.00 0.00 O ATOM 733 CB SER A 53 -7.101 9.497 -10.182 1.00 0.00 C ATOM 734 OG SER A 53 -7.021 9.753 -11.581 1.00 0.00 O ATOM 0 H SER A 53 -7.409 7.130 -9.185 1.00 0.00 H new ATOM 0 HA SER A 53 -5.194 8.576 -10.456 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.066 9.046 -9.951 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.052 10.440 -9.638 1.00 0.00 H new ATOM 0 HG SER A 53 -7.755 10.345 -11.848 1.00 0.00 H new ATOM 740 N SER A 54 -4.336 9.859 -8.494 1.00 0.00 N ATOM 741 CA SER A 54 -3.683 10.413 -7.321 1.00 0.00 C ATOM 742 C SER A 54 -4.708 11.135 -6.443 1.00 0.00 C ATOM 743 O SER A 54 -5.846 11.348 -6.860 1.00 0.00 O ATOM 744 CB SER A 54 -2.557 11.369 -7.718 1.00 0.00 C ATOM 745 OG SER A 54 -2.997 12.724 -7.762 1.00 0.00 O ATOM 0 H SER A 54 -3.907 10.117 -9.383 1.00 0.00 H new ATOM 0 HA SER A 54 -3.243 9.592 -6.755 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.736 11.277 -7.007 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.166 11.083 -8.694 1.00 0.00 H new ATOM 0 HG SER A 54 -2.249 13.303 -8.018 1.00 0.00 H new ATOM 751 N PRO A 55 -4.257 11.501 -5.214 1.00 0.00 N ATOM 752 CA PRO A 55 -2.895 11.209 -4.800 1.00 0.00 C ATOM 753 C PRO A 55 -2.730 9.727 -4.458 1.00 0.00 C ATOM 754 O PRO A 55 -3.689 9.069 -4.059 1.00 0.00 O ATOM 755 CB PRO A 55 -2.640 12.126 -3.614 1.00 0.00 C ATOM 756 CG PRO A 55 -4.011 12.555 -3.117 1.00 0.00 C ATOM 757 CD PRO A 55 -5.028 12.198 -4.190 1.00 0.00 C ATOM 0 HA PRO A 55 -2.167 11.390 -5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.085 11.608 -2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.044 12.989 -3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.252 12.053 -2.180 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.027 13.626 -2.917 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.819 11.564 -3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.507 13.090 -4.594 1.00 0.00 H new ATOM 765 N TYR A 56 -1.508 9.246 -4.627 1.00 0.00 N ATOM 766 CA TYR A 56 -1.206 7.854 -4.341 1.00 0.00 C ATOM 767 C TYR A 56 -0.711 7.685 -2.902 1.00 0.00 C ATOM 768 O TYR A 56 0.386 8.125 -2.564 1.00 0.00 O ATOM 769 CB TYR A 56 -0.084 7.459 -5.303 1.00 0.00 C ATOM 770 CG TYR A 56 -0.458 7.588 -6.781 1.00 0.00 C ATOM 771 CD1 TYR A 56 -1.708 7.192 -7.213 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.454 8.100 -7.681 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.059 7.313 -8.605 1.00 0.00 C ATOM 774 CE2 TYR A 56 0.102 8.221 -9.073 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.137 7.823 -9.465 1.00 0.00 C ATOM 776 OH TYR A 56 -1.470 7.937 -10.779 1.00 0.00 O ATOM 0 H TYR A 56 -0.715 9.795 -4.958 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.096 7.236 -4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.788 8.082 -5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.208 6.428 -5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.422 6.792 -6.508 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.431 8.410 -7.342 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.032 7.006 -8.958 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.807 8.619 -9.788 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.716 8.317 -11.276 1.00 0.00 H new ATOM 786 N TYR A 57 -1.544 7.044 -2.095 1.00 0.00 N ATOM 787 CA TYR A 57 -1.206 6.811 -0.702 1.00 0.00 C ATOM 788 C TYR A 57 -0.578 5.428 -0.515 1.00 0.00 C ATOM 789 O TYR A 57 -1.128 4.427 -0.970 1.00 0.00 O ATOM 790 CB TYR A 57 -2.526 6.869 0.068 1.00 0.00 C ATOM 791 CG TYR A 57 -3.281 8.189 -0.088 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.605 9.330 -0.471 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.639 8.241 0.152 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.317 10.573 -0.620 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.351 9.484 0.005 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.654 10.589 -0.374 1.00 0.00 C ATOM 797 OH TYR A 57 -5.326 11.763 -0.514 1.00 0.00 O ATOM 0 H TYR A 57 -2.453 6.679 -2.380 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.487 7.551 -0.352 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.167 6.054 -0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.325 6.700 1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.542 9.291 -0.659 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.168 7.348 0.450 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.800 11.472 -0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.413 9.538 0.191 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.832 11.950 0.304 1.00 0.00 H new ATOM 807 N GLU A 58 0.563 5.418 0.158 1.00 0.00 N ATOM 808 CA GLU A 58 1.271 4.174 0.412 1.00 0.00 C ATOM 809 C GLU A 58 0.858 3.595 1.766 1.00 0.00 C ATOM 810 O GLU A 58 0.671 4.336 2.730 1.00 0.00 O ATOM 811 CB GLU A 58 2.785 4.381 0.343 1.00 0.00 C ATOM 812 CG GLU A 58 3.251 5.378 1.405 1.00 0.00 C ATOM 813 CD GLU A 58 3.143 4.776 2.807 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.579 3.614 2.961 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.629 5.490 3.694 1.00 0.00 O ATOM 0 H GLU A 58 1.015 6.251 0.535 1.00 0.00 H new ATOM 0 HA GLU A 58 0.999 3.459 -0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.293 3.427 0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.061 4.743 -0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.283 5.668 1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.648 6.285 1.347 1.00 0.00 H new ATOM 822 N TRP A 59 0.728 2.277 1.796 1.00 0.00 N ATOM 823 CA TRP A 59 0.340 1.591 3.016 1.00 0.00 C ATOM 824 C TRP A 59 0.709 0.113 2.865 1.00 0.00 C ATOM 825 O TRP A 59 0.519 -0.472 1.801 1.00 0.00 O ATOM 826 CB TRP A 59 -1.144 1.808 3.321 1.00 0.00 C ATOM 827 CG TRP A 59 -1.666 0.979 4.495 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.312 -0.194 4.454 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.559 1.310 5.896 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.629 -0.642 5.721 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.157 0.302 6.625 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.977 2.424 6.526 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.230 0.308 8.024 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.059 2.414 7.923 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.657 1.408 8.673 1.00 0.00 C ATOM 0 H TRP A 59 0.885 1.666 0.994 1.00 0.00 H new ATOM 0 HA TRP A 59 0.875 1.999 3.874 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.310 2.864 3.533 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.726 1.566 2.432 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.554 -0.723 3.544 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.119 -1.506 5.951 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.504 3.224 5.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.703 -0.493 8.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.627 3.248 8.457 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.679 1.475 9.751 1.00 0.00 H new ATOM 846 N PRO A 60 1.243 -0.462 3.975 1.00 0.00 N ATOM 847 CA PRO A 60 1.640 -1.860 3.977 1.00 0.00 C ATOM 848 C PRO A 60 0.418 -2.778 4.048 1.00 0.00 C ATOM 849 O PRO A 60 -0.633 -2.379 4.547 1.00 0.00 O ATOM 850 CB PRO A 60 2.563 -2.006 5.176 1.00 0.00 C ATOM 851 CG PRO A 60 2.281 -0.807 6.067 1.00 0.00 C ATOM 852 CD PRO A 60 1.483 0.200 5.254 1.00 0.00 C ATOM 0 HA PRO A 60 2.151 -2.153 3.060 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.371 -2.940 5.705 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.608 -2.024 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.722 -1.112 6.952 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.213 -0.363 6.416 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.546 0.455 5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.037 1.129 5.121 1.00 0.00 H new ATOM 860 N ILE A 61 0.596 -3.988 3.541 1.00 0.00 N ATOM 861 CA ILE A 61 -0.479 -4.966 3.541 1.00 0.00 C ATOM 862 C ILE A 61 -0.075 -6.163 4.403 1.00 0.00 C ATOM 863 O ILE A 61 0.988 -6.747 4.200 1.00 0.00 O ATOM 864 CB ILE A 61 -0.861 -5.341 2.108 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.183 -6.111 2.077 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.268 -6.113 1.423 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.766 -6.142 0.663 1.00 0.00 C ATOM 0 H ILE A 61 1.469 -4.314 3.127 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.379 -4.542 3.986 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.010 -4.421 1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.023 -7.130 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.895 -5.645 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.030 -6.367 0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.166 -5.496 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.474 -7.027 1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.705 -6.695 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.947 -5.123 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.062 -6.630 -0.010 1.00 0.00 H new ATOM 879 N LEU A 62 -0.944 -6.492 5.347 1.00 0.00 N ATOM 880 CA LEU A 62 -0.691 -7.609 6.241 1.00 0.00 C ATOM 881 C LEU A 62 -1.359 -8.866 5.681 1.00 0.00 C ATOM 882 O LEU A 62 -2.575 -8.898 5.497 1.00 0.00 O ATOM 883 CB LEU A 62 -1.127 -7.264 7.666 1.00 0.00 C ATOM 884 CG LEU A 62 -0.402 -6.088 8.324 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.039 -5.733 9.668 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.096 -6.371 8.455 1.00 0.00 C ATOM 0 H LEU A 62 -1.825 -6.004 5.512 1.00 0.00 H new ATOM 0 HA LEU A 62 0.378 -7.815 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.195 -7.046 7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.988 -8.146 8.291 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.509 -5.217 7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.504 -4.894 10.114 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.083 -5.458 9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.985 -6.593 10.335 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.587 -5.519 8.926 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.246 -7.260 9.067 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.523 -6.535 7.466 1.00 0.00 H new ATOM 898 N SER A 63 -0.535 -9.872 5.426 1.00 0.00 N ATOM 899 CA SER A 63 -1.031 -11.128 4.890 1.00 0.00 C ATOM 900 C SER A 63 -2.052 -11.740 5.852 1.00 0.00 C ATOM 901 O SER A 63 -2.762 -12.678 5.495 1.00 0.00 O ATOM 902 CB SER A 63 0.115 -12.110 4.638 1.00 0.00 C ATOM 903 OG SER A 63 -0.337 -13.311 4.019 1.00 0.00 O ATOM 0 H SER A 63 0.473 -9.843 5.581 1.00 0.00 H new ATOM 0 HA SER A 63 -1.516 -10.925 3.935 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.866 -11.636 4.005 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.601 -12.350 5.584 1.00 0.00 H new ATOM 0 HG SER A 63 -1.301 -13.411 4.164 1.00 0.00 H new ATOM 909 N SER A 64 -2.093 -11.184 7.054 1.00 0.00 N ATOM 910 CA SER A 64 -3.014 -11.664 8.070 1.00 0.00 C ATOM 911 C SER A 64 -4.385 -11.011 7.882 1.00 0.00 C ATOM 912 O SER A 64 -5.383 -11.489 8.419 1.00 0.00 O ATOM 913 CB SER A 64 -2.480 -11.381 9.476 1.00 0.00 C ATOM 914 OG SER A 64 -1.055 -11.349 9.509 1.00 0.00 O ATOM 0 H SER A 64 -1.503 -10.405 7.347 1.00 0.00 H new ATOM 0 HA SER A 64 -3.114 -12.744 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.872 -10.427 9.828 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.842 -12.147 10.162 1.00 0.00 H new ATOM 0 HG SER A 64 -0.753 -11.164 10.423 1.00 0.00 H new ATOM 920 N GLY A 65 -4.390 -9.928 7.118 1.00 0.00 N ATOM 921 CA GLY A 65 -5.621 -9.205 6.853 1.00 0.00 C ATOM 922 C GLY A 65 -5.929 -8.212 7.977 1.00 0.00 C ATOM 923 O GLY A 65 -7.089 -8.001 8.324 1.00 0.00 O ATOM 0 H GLY A 65 -3.560 -9.534 6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.537 -8.672 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.446 -9.910 6.750 1.00 0.00 H new ATOM 927 N ASP A 66 -4.867 -7.631 8.516 1.00 0.00 N ATOM 928 CA ASP A 66 -5.008 -6.667 9.594 1.00 0.00 C ATOM 929 C ASP A 66 -4.599 -5.281 9.088 1.00 0.00 C ATOM 930 O ASP A 66 -4.368 -5.095 7.895 1.00 0.00 O ATOM 931 CB ASP A 66 -4.104 -7.026 10.775 1.00 0.00 C ATOM 932 CG ASP A 66 -4.562 -8.230 11.598 1.00 0.00 C ATOM 933 OD1 ASP A 66 -4.499 -9.351 11.047 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.967 -8.004 12.759 1.00 0.00 O ATOM 0 H ASP A 66 -3.905 -7.809 8.226 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.048 -6.675 9.921 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.101 -7.224 10.398 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.032 -6.161 11.434 1.00 0.00 H new ATOM 939 N VAL A 67 -4.522 -4.346 10.023 1.00 0.00 N ATOM 940 CA VAL A 67 -4.146 -2.983 9.688 1.00 0.00 C ATOM 941 C VAL A 67 -2.743 -2.698 10.228 1.00 0.00 C ATOM 942 O VAL A 67 -2.558 -2.551 11.436 1.00 0.00 O ATOM 943 CB VAL A 67 -5.198 -2.005 10.213 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.615 -0.598 10.360 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.435 -1.994 9.312 1.00 0.00 C ATOM 0 H VAL A 67 -4.713 -4.505 11.012 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.111 -2.852 8.606 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.506 -2.345 11.202 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.384 0.077 10.735 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.780 -0.621 11.060 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.265 -0.246 9.390 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.167 -1.290 9.708 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.149 -1.691 8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.871 -2.992 9.281 1.00 0.00 H new ATOM 955 N TYR A 68 -1.792 -2.629 9.309 1.00 0.00 N ATOM 956 CA TYR A 68 -0.411 -2.365 9.678 1.00 0.00 C ATOM 957 C TYR A 68 -0.328 -1.251 10.724 1.00 0.00 C ATOM 958 O TYR A 68 -0.288 -0.071 10.380 1.00 0.00 O ATOM 959 CB TYR A 68 0.285 -1.899 8.398 1.00 0.00 C ATOM 960 CG TYR A 68 1.389 -0.865 8.632 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.557 -1.234 9.266 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.215 0.438 8.209 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.596 -0.261 9.485 1.00 0.00 C ATOM 964 CE2 TYR A 68 2.254 1.411 8.429 1.00 0.00 C ATOM 965 CZ TYR A 68 3.393 1.013 9.056 1.00 0.00 C ATOM 966 OH TYR A 68 4.374 1.932 9.264 1.00 0.00 O ATOM 0 H TYR A 68 -1.950 -2.751 8.309 1.00 0.00 H new ATOM 0 HA TYR A 68 0.050 -3.256 10.104 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.713 -2.765 7.893 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.460 -1.474 7.725 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.692 -2.253 9.598 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.300 0.727 7.713 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.516 -0.537 9.979 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.131 2.433 8.103 1.00 0.00 H new ATOM 0 HH TYR A 68 5.231 1.572 8.952 1.00 0.00 H new ATOM 976 N SER A 69 -0.303 -1.667 11.983 1.00 0.00 N ATOM 977 CA SER A 69 -0.225 -0.719 13.082 1.00 0.00 C ATOM 978 C SER A 69 0.993 -1.030 13.954 1.00 0.00 C ATOM 979 O SER A 69 0.885 -1.094 15.177 1.00 0.00 O ATOM 980 CB SER A 69 -1.502 -0.747 13.924 1.00 0.00 C ATOM 981 OG SER A 69 -1.621 -1.953 14.674 1.00 0.00 O ATOM 0 H SER A 69 -0.335 -2.647 12.266 1.00 0.00 H new ATOM 0 HA SER A 69 -0.119 0.282 12.665 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.506 0.105 14.604 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.369 -0.639 13.272 1.00 0.00 H new ATOM 0 HG SER A 69 -0.909 -1.992 15.347 1.00 0.00 H new ATOM 987 N GLY A 70 2.125 -1.214 13.289 1.00 0.00 N ATOM 988 CA GLY A 70 3.363 -1.516 13.989 1.00 0.00 C ATOM 989 C GLY A 70 4.479 -0.560 13.564 1.00 0.00 C ATOM 990 O GLY A 70 5.125 0.060 14.408 1.00 0.00 O ATOM 0 H GLY A 70 2.211 -1.160 12.274 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.205 -1.441 15.065 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.661 -2.544 13.782 1.00 0.00 H new ATOM 994 N GLY A 71 4.672 -0.471 12.256 1.00 0.00 N ATOM 995 CA GLY A 71 5.700 0.398 11.709 1.00 0.00 C ATOM 996 C GLY A 71 6.926 -0.407 11.275 1.00 0.00 C ATOM 997 O GLY A 71 8.036 0.122 11.226 1.00 0.00 O ATOM 0 H GLY A 71 4.134 -0.986 11.559 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.301 0.947 10.856 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.991 1.137 12.456 1.00 0.00 H new ATOM 1001 N SER A 72 6.686 -1.675 10.973 1.00 0.00 N ATOM 1002 CA SER A 72 7.756 -2.559 10.545 1.00 0.00 C ATOM 1003 C SER A 72 7.256 -3.490 9.439 1.00 0.00 C ATOM 1004 O SER A 72 7.400 -4.708 9.536 1.00 0.00 O ATOM 1005 CB SER A 72 8.300 -3.373 11.720 1.00 0.00 C ATOM 1006 OG SER A 72 9.529 -2.847 12.212 1.00 0.00 O ATOM 0 H SER A 72 5.765 -2.111 11.017 1.00 0.00 H new ATOM 0 HA SER A 72 8.569 -1.947 10.154 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.564 -3.385 12.524 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.448 -4.407 11.407 1.00 0.00 H new ATOM 0 HG SER A 72 9.842 -3.394 12.963 1.00 0.00 H new ATOM 1012 N PRO A 73 6.662 -2.865 8.387 1.00 0.00 N ATOM 1013 CA PRO A 73 6.138 -3.626 7.264 1.00 0.00 C ATOM 1014 C PRO A 73 7.272 -4.132 6.370 1.00 0.00 C ATOM 1015 O PRO A 73 7.385 -5.331 6.124 1.00 0.00 O ATOM 1016 CB PRO A 73 5.197 -2.671 6.548 1.00 0.00 C ATOM 1017 CG PRO A 73 5.579 -1.278 7.018 1.00 0.00 C ATOM 1018 CD PRO A 73 6.473 -1.426 8.239 1.00 0.00 C ATOM 0 HA PRO A 73 5.609 -4.527 7.575 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.299 -2.760 5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.157 -2.893 6.789 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.099 -0.738 6.227 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.688 -0.701 7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.425 -0.914 8.097 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.008 -0.994 9.125 1.00 0.00 H new ATOM 1026 N GLY A 74 8.082 -3.191 5.906 1.00 0.00 N ATOM 1027 CA GLY A 74 9.203 -3.526 5.044 1.00 0.00 C ATOM 1028 C GLY A 74 8.920 -4.804 4.251 1.00 0.00 C ATOM 1029 O GLY A 74 9.267 -5.900 4.689 1.00 0.00 O ATOM 0 H GLY A 74 7.984 -2.197 6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.397 -2.702 4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.102 -3.658 5.645 1.00 0.00 H new ATOM 1033 N ALA A 75 8.296 -4.621 3.098 1.00 0.00 N ATOM 1034 CA ALA A 75 7.963 -5.745 2.239 1.00 0.00 C ATOM 1035 C ALA A 75 6.656 -5.449 1.501 1.00 0.00 C ATOM 1036 O ALA A 75 6.638 -4.664 0.555 1.00 0.00 O ATOM 1037 CB ALA A 75 7.883 -7.022 3.079 1.00 0.00 C ATOM 0 H ALA A 75 8.012 -3.710 2.737 1.00 0.00 H new ATOM 0 HA ALA A 75 8.738 -5.897 1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.633 -7.866 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.845 -7.203 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.113 -6.908 3.842 1.00 0.00 H new ATOM 1043 N ASP A 76 5.594 -6.094 1.963 1.00 0.00 N ATOM 1044 CA ASP A 76 4.286 -5.910 1.359 1.00 0.00 C ATOM 1045 C ASP A 76 3.771 -4.506 1.684 1.00 0.00 C ATOM 1046 O ASP A 76 3.848 -4.063 2.829 1.00 0.00 O ATOM 1047 CB ASP A 76 3.278 -6.921 1.907 1.00 0.00 C ATOM 1048 CG ASP A 76 3.802 -8.354 2.033 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.861 -8.625 1.425 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.133 -9.145 2.732 1.00 0.00 O ATOM 0 H ASP A 76 5.613 -6.744 2.748 1.00 0.00 H new ATOM 0 HA ASP A 76 4.390 -6.051 0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.946 -6.584 2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.402 -6.926 1.258 1.00 0.00 H new ATOM 1055 N ARG A 77 3.258 -3.846 0.657 1.00 0.00 N ATOM 1056 CA ARG A 77 2.731 -2.502 0.820 1.00 0.00 C ATOM 1057 C ARG A 77 1.687 -2.206 -0.259 1.00 0.00 C ATOM 1058 O ARG A 77 1.929 -2.440 -1.443 1.00 0.00 O ATOM 1059 CB ARG A 77 3.847 -1.458 0.738 1.00 0.00 C ATOM 1060 CG ARG A 77 4.756 -1.531 1.967 1.00 0.00 C ATOM 1061 CD ARG A 77 4.524 -0.336 2.893 1.00 0.00 C ATOM 1062 NE ARG A 77 5.808 0.346 3.170 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.881 -0.259 3.695 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.833 -1.562 4.003 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.005 0.439 3.914 1.00 0.00 N ATOM 0 H ARG A 77 3.196 -4.217 -0.291 1.00 0.00 H new ATOM 0 HA ARG A 77 2.268 -2.446 1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.436 -1.620 -0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.413 -0.461 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.567 -2.458 2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.799 -1.554 1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.824 0.361 2.432 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.072 -0.671 3.826 1.00 0.00 H new ATOM 0 HE ARG A 77 5.880 1.339 2.947 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.979 -2.094 3.838 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.651 -2.022 4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.043 1.431 3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.822 -0.022 4.314 1.00 0.00 H new ATOM 1079 N VAL A 78 0.548 -1.698 0.188 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.534 -1.369 -0.724 1.00 0.00 C ATOM 1081 C VAL A 78 -0.556 0.143 -0.957 1.00 0.00 C ATOM 1082 O VAL A 78 -0.519 0.922 -0.007 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.859 -1.909 -0.183 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.934 -1.751 1.337 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -3.048 -1.231 -0.864 1.00 0.00 C ATOM 0 H VAL A 78 0.351 -1.506 1.170 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.376 -1.846 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.906 -2.973 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.886 -2.142 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.116 -2.302 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.854 -0.696 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.977 -1.634 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.008 -0.157 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.008 -1.418 -1.937 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.616 0.513 -2.228 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.645 1.917 -2.599 1.00 0.00 C ATOM 1097 C VAL A 79 -2.024 2.265 -3.163 1.00 0.00 C ATOM 1098 O VAL A 79 -2.544 1.555 -4.020 1.00 0.00 O ATOM 1099 CB VAL A 79 0.494 2.224 -3.574 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.407 3.665 -4.083 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.855 1.951 -2.930 1.00 0.00 C ATOM 0 H VAL A 79 -0.645 -0.136 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.485 2.546 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 79 0.390 1.559 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.228 3.857 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.543 3.812 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.474 4.353 -3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.647 2.177 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.972 2.579 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.916 0.902 -2.640 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.576 3.359 -2.657 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.885 3.808 -3.098 1.00 0.00 C ATOM 1113 C PHE A 80 -3.941 5.335 -3.181 1.00 0.00 C ATOM 1114 O PHE A 80 -2.935 6.009 -2.961 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.899 3.328 -2.058 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.834 4.086 -0.731 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.744 3.964 0.071 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.870 4.884 -0.354 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.684 4.668 1.303 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.810 5.588 0.879 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.719 5.465 1.680 1.00 0.00 C ATOM 0 H PHE A 80 -2.140 3.947 -1.946 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.100 3.408 -4.089 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.903 3.426 -2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.735 2.267 -1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.922 3.331 -0.229 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.737 4.982 -0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.817 4.570 1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.632 6.221 1.180 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.674 6.001 2.617 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.126 5.836 -3.498 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.326 7.270 -3.611 1.00 0.00 C ATOM 1133 C ASN A 81 -6.536 7.680 -2.770 1.00 0.00 C ATOM 1134 O ASN A 81 -6.530 7.525 -1.549 1.00 0.00 O ATOM 1135 CB ASN A 81 -5.599 7.676 -5.061 1.00 0.00 C ATOM 1136 CG ASN A 81 -7.099 7.655 -5.363 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -7.612 8.442 -6.141 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -7.770 6.714 -4.705 1.00 0.00 N ATOM 0 H ASN A 81 -5.957 5.274 -3.680 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.420 7.765 -3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.202 8.674 -5.244 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.079 6.997 -5.737 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.777 6.619 -4.837 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.278 6.088 -4.068 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.546 8.196 -3.455 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.761 8.630 -2.786 1.00 0.00 C ATOM 1147 C GLU A 82 -9.000 7.795 -1.526 1.00 0.00 C ATOM 1148 O GLU A 82 -9.115 8.340 -0.429 1.00 0.00 O ATOM 1149 CB GLU A 82 -9.963 8.553 -3.730 1.00 0.00 C ATOM 1150 CG GLU A 82 -11.243 9.007 -3.025 1.00 0.00 C ATOM 1151 CD GLU A 82 -12.479 8.669 -3.861 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -12.354 8.717 -5.103 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -13.520 8.370 -3.238 1.00 0.00 O ATOM 0 H GLU A 82 -7.548 8.323 -4.467 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.638 9.672 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.784 9.178 -4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.084 7.531 -4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.316 8.525 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.203 10.082 -2.847 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.066 6.486 -1.725 1.00 0.00 N ATOM 1161 CA ASN A 83 -9.288 5.572 -0.618 1.00 0.00 C ATOM 1162 C ASN A 83 -9.114 4.134 -1.108 1.00 0.00 C ATOM 1163 O ASN A 83 -8.015 3.584 -1.051 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.707 5.713 -0.063 1.00 0.00 C ATOM 1165 CG ASN A 83 -11.627 6.399 -1.076 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -12.449 7.236 -0.742 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -11.442 5.998 -2.331 1.00 0.00 N ATOM 0 H ASN A 83 -8.970 6.038 -2.636 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.569 5.810 0.166 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.104 4.729 0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.684 6.290 0.862 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -12.006 6.396 -3.082 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -10.736 5.293 -2.542 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.214 3.565 -1.580 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.196 2.201 -2.079 1.00 0.00 C ATOM 1176 C ASN A 84 -9.627 2.190 -3.499 1.00 0.00 C ATOM 1177 O ASN A 84 -9.817 1.227 -4.241 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.608 1.614 -2.131 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.358 2.098 -3.373 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -12.101 1.675 -4.489 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -13.295 3.006 -3.121 1.00 0.00 N ATOM 0 H ASN A 84 -11.123 4.024 -1.627 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.582 1.604 -1.405 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.553 0.525 -2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.158 1.901 -1.235 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.850 3.392 -3.885 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.459 3.317 -2.164 1.00 0.00 H new ATOM 1188 N GLN A 85 -8.940 3.272 -3.837 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.343 3.399 -5.155 1.00 0.00 C ATOM 1190 C GLN A 85 -6.921 2.834 -5.150 1.00 0.00 C ATOM 1191 O GLN A 85 -6.000 3.458 -5.676 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.353 4.856 -5.623 1.00 0.00 C ATOM 1193 CG GLN A 85 -9.652 5.554 -5.213 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.873 4.778 -5.712 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -11.120 4.655 -6.900 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -11.619 4.262 -4.739 1.00 0.00 N ATOM 0 H GLN A 85 -8.784 4.069 -3.220 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.940 2.821 -5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.501 5.385 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.241 4.895 -6.707 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.693 5.645 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.669 6.566 -5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.354 4.403 -3.764 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.456 3.725 -4.968 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.786 1.663 -4.548 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.492 1.007 -4.467 1.00 0.00 C ATOM 1207 C LEU A 86 -4.724 1.242 -5.770 1.00 0.00 C ATOM 1208 O LEU A 86 -5.294 1.147 -6.856 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.660 -0.471 -4.111 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.200 -1.473 -5.171 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -3.953 -2.229 -4.708 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -6.335 -2.425 -5.556 1.00 0.00 C ATOM 0 H LEU A 86 -7.552 1.150 -4.111 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.897 1.438 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.110 -0.667 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.713 -0.655 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.926 -0.917 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.648 -2.935 -5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.145 -1.520 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.176 -2.771 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.981 -3.127 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.663 -2.976 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.171 -1.851 -5.957 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.443 1.542 -5.618 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.591 1.791 -6.769 1.00 0.00 C ATOM 1226 C ALA A 87 -2.018 0.465 -7.271 1.00 0.00 C ATOM 1227 O ALA A 87 -1.814 0.286 -8.471 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.498 2.792 -6.388 1.00 0.00 C ATOM 0 H ALA A 87 -2.974 1.618 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.166 2.231 -7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.859 2.979 -7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.957 3.727 -6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.899 2.384 -5.574 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.774 -0.433 -6.326 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.229 -1.738 -6.657 1.00 0.00 C ATOM 1236 C GLY A 88 -0.786 -2.483 -5.396 1.00 0.00 C ATOM 1237 O GLY A 88 -1.395 -2.333 -4.337 1.00 0.00 O ATOM 0 H GLY A 88 -1.944 -0.281 -5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.979 -2.326 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.381 -1.621 -7.332 1.00 0.00 H new ATOM 1241 N VAL A 89 0.268 -3.270 -5.552 1.00 0.00 N ATOM 1242 CA VAL A 89 0.798 -4.039 -4.439 1.00 0.00 C ATOM 1243 C VAL A 89 2.324 -4.085 -4.537 1.00 0.00 C ATOM 1244 O VAL A 89 2.885 -5.003 -5.132 1.00 0.00 O ATOM 1245 CB VAL A 89 0.159 -5.429 -4.411 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.962 -6.385 -3.525 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.299 -5.354 -3.955 1.00 0.00 C ATOM 0 H VAL A 89 0.769 -3.392 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 89 0.547 -3.562 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 89 0.172 -5.823 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.486 -7.366 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.977 -6.475 -3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.996 -5.996 -2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.729 -6.356 -3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.345 -4.928 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.863 -4.724 -4.643 1.00 0.00 H new ATOM 1257 N ILE A 90 2.954 -3.081 -3.944 1.00 0.00 N ATOM 1258 CA ILE A 90 4.404 -2.995 -3.957 1.00 0.00 C ATOM 1259 C ILE A 90 4.973 -3.885 -2.850 1.00 0.00 C ATOM 1260 O ILE A 90 4.258 -4.266 -1.924 1.00 0.00 O ATOM 1261 CB ILE A 90 4.855 -1.535 -3.865 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.614 -0.974 -2.462 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.183 -0.685 -4.945 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.398 0.540 -2.506 1.00 0.00 C ATOM 0 H ILE A 90 2.486 -2.320 -3.451 1.00 0.00 H new ATOM 0 HA ILE A 90 4.799 -3.368 -4.902 1.00 0.00 H new ATOM 0 HB ILE A 90 5.929 -1.497 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.743 -1.456 -2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.466 -1.205 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.520 0.348 -4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.448 -1.071 -5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.101 -0.725 -4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.229 0.913 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.280 1.021 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.530 0.766 -3.126 1.00 0.00 H new ATOM 1276 N THR A 91 6.256 -4.192 -2.983 1.00 0.00 N ATOM 1277 CA THR A 91 6.930 -5.030 -2.006 1.00 0.00 C ATOM 1278 C THR A 91 8.439 -4.784 -2.043 1.00 0.00 C ATOM 1279 O THR A 91 8.989 -4.429 -3.085 1.00 0.00 O ATOM 1280 CB THR A 91 6.544 -6.484 -2.285 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.621 -7.240 -1.736 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.574 -6.822 -3.777 1.00 0.00 C ATOM 0 H THR A 91 6.846 -3.875 -3.753 1.00 0.00 H new ATOM 0 HA THR A 91 6.618 -4.784 -0.991 1.00 0.00 H new ATOM 0 HB THR A 91 5.547 -6.677 -1.889 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.452 -8.196 -1.871 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.292 -7.865 -3.919 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.872 -6.181 -4.310 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.579 -6.661 -4.166 1.00 0.00 H new ATOM 1290 N HIS A 92 9.066 -4.982 -0.893 1.00 0.00 N ATOM 1291 CA HIS A 92 10.502 -4.785 -0.780 1.00 0.00 C ATOM 1292 C HIS A 92 11.233 -5.943 -1.463 1.00 0.00 C ATOM 1293 O HIS A 92 12.457 -5.926 -1.580 1.00 0.00 O ATOM 1294 CB HIS A 92 10.912 -4.604 0.683 1.00 0.00 C ATOM 1295 CG HIS A 92 10.482 -3.287 1.283 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.313 -2.520 2.080 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.301 -2.611 1.193 1.00 0.00 C ATOM 1298 CE1 HIS A 92 10.651 -1.433 2.449 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.405 -1.491 1.898 1.00 0.00 N ATOM 0 H HIS A 92 8.607 -5.277 -0.031 1.00 0.00 H new ATOM 0 HA HIS A 92 10.789 -3.867 -1.293 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.486 -5.416 1.272 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.996 -4.689 0.759 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.429 -2.932 0.642 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.032 -0.640 3.076 1.00 0.00 H new ATOM 0 HE2 HIS A 92 8.673 -0.789 2.009 1.00 0.00 H new ATOM 1308 N THR A 93 10.451 -6.923 -1.894 1.00 0.00 N ATOM 1309 CA THR A 93 11.009 -8.086 -2.561 1.00 0.00 C ATOM 1310 C THR A 93 12.230 -7.689 -3.394 1.00 0.00 C ATOM 1311 O THR A 93 12.092 -7.268 -4.541 1.00 0.00 O ATOM 1312 CB THR A 93 9.897 -8.737 -3.385 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.330 -9.701 -2.501 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.440 -9.571 -4.546 1.00 0.00 C ATOM 0 H THR A 93 9.436 -6.935 -1.794 1.00 0.00 H new ATOM 0 HA THR A 93 11.371 -8.819 -1.840 1.00 0.00 H new ATOM 0 HB THR A 93 9.233 -7.965 -3.773 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.598 -10.170 -2.954 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.609 -10.011 -5.098 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.021 -8.933 -5.212 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.077 -10.365 -4.157 1.00 0.00 H new ATOM 1322 N GLY A 94 13.397 -7.839 -2.783 1.00 0.00 N ATOM 1323 CA GLY A 94 14.640 -7.501 -3.454 1.00 0.00 C ATOM 1324 C GLY A 94 14.428 -6.373 -4.468 1.00 0.00 C ATOM 1325 O GLY A 94 14.953 -6.426 -5.578 1.00 0.00 O ATOM 0 H GLY A 94 13.507 -8.190 -1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.384 -7.197 -2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.034 -8.381 -3.961 1.00 0.00 H new ATOM 1329 N ALA A 95 13.659 -5.381 -4.046 1.00 0.00 N ATOM 1330 CA ALA A 95 13.371 -4.242 -4.902 1.00 0.00 C ATOM 1331 C ALA A 95 14.674 -3.503 -5.215 1.00 0.00 C ATOM 1332 O ALA A 95 14.700 -2.620 -6.071 1.00 0.00 O ATOM 1333 CB ALA A 95 12.338 -3.341 -4.224 1.00 0.00 C ATOM 0 H ALA A 95 13.226 -5.342 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 95 12.943 -4.572 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.123 -2.487 -4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.422 -3.905 -4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.733 -2.988 -3.271 1.00 0.00 H new ATOM 1339 N SER A 96 15.723 -3.890 -4.504 1.00 0.00 N ATOM 1340 CA SER A 96 17.024 -3.275 -4.694 1.00 0.00 C ATOM 1341 C SER A 96 17.253 -2.195 -3.635 1.00 0.00 C ATOM 1342 O SER A 96 17.689 -1.090 -3.955 1.00 0.00 O ATOM 1343 CB SER A 96 17.152 -2.679 -6.097 1.00 0.00 C ATOM 1344 OG SER A 96 18.512 -2.542 -6.498 1.00 0.00 O ATOM 0 H SER A 96 15.697 -4.623 -3.795 1.00 0.00 H new ATOM 0 HA SER A 96 17.786 -4.047 -4.586 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.626 -3.314 -6.810 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.667 -1.703 -6.122 1.00 0.00 H new ATOM 0 HG SER A 96 18.550 -2.160 -7.400 1.00 0.00 H new ATOM 1350 N GLY A 97 16.947 -2.551 -2.396 1.00 0.00 N ATOM 1351 CA GLY A 97 17.114 -1.626 -1.289 1.00 0.00 C ATOM 1352 C GLY A 97 15.781 -1.369 -0.584 1.00 0.00 C ATOM 1353 O GLY A 97 15.060 -2.307 -0.249 1.00 0.00 O ATOM 0 H GLY A 97 16.584 -3.468 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.834 -2.031 -0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.523 -0.685 -1.656 1.00 0.00 H new ATOM 1357 N ASN A 98 15.493 -0.091 -0.379 1.00 0.00 N ATOM 1358 CA ASN A 98 14.259 0.301 0.280 1.00 0.00 C ATOM 1359 C ASN A 98 13.207 0.641 -0.778 1.00 0.00 C ATOM 1360 O ASN A 98 12.112 1.093 -0.447 1.00 0.00 O ATOM 1361 CB ASN A 98 14.470 1.541 1.152 1.00 0.00 C ATOM 1362 CG ASN A 98 13.145 2.030 1.739 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.915 3.215 1.918 1.00 0.00 O ATOM 1364 ND2 ASN A 98 12.288 1.055 2.028 1.00 0.00 N ATOM 0 H ASN A 98 16.093 0.685 -0.658 1.00 0.00 H new ATOM 0 HA ASN A 98 13.933 -0.529 0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.165 1.309 1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.924 2.335 0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.375 1.279 2.424 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.543 0.083 1.853 1.00 0.00 H new ATOM 1371 N ASN A 99 13.576 0.411 -2.029 1.00 0.00 N ATOM 1372 CA ASN A 99 12.679 0.687 -3.137 1.00 0.00 C ATOM 1373 C ASN A 99 11.492 -0.277 -3.081 1.00 0.00 C ATOM 1374 O ASN A 99 11.501 -1.231 -2.304 1.00 0.00 O ATOM 1375 CB ASN A 99 13.384 0.490 -4.481 1.00 0.00 C ATOM 1376 CG ASN A 99 14.581 -0.453 -4.338 1.00 0.00 C ATOM 1377 OD1 ASN A 99 15.641 -0.241 -4.902 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.351 -1.503 -3.554 1.00 0.00 N ATOM 0 H ASN A 99 14.485 0.036 -2.300 1.00 0.00 H new ATOM 0 HA ASN A 99 12.349 1.722 -3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.681 0.084 -5.209 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.719 1.454 -4.865 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.087 -2.191 -3.395 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.439 -1.620 -3.112 1.00 0.00 H new ATOM 1385 N PHE A 100 10.500 0.005 -3.912 1.00 0.00 N ATOM 1386 CA PHE A 100 9.309 -0.827 -3.966 1.00 0.00 C ATOM 1387 C PHE A 100 9.093 -1.384 -5.373 1.00 0.00 C ATOM 1388 O PHE A 100 9.734 -0.941 -6.327 1.00 0.00 O ATOM 1389 CB PHE A 100 8.124 0.068 -3.597 1.00 0.00 C ATOM 1390 CG PHE A 100 7.950 0.280 -2.091 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.681 -0.779 -1.282 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.062 1.528 -1.564 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.520 -0.583 0.115 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.901 1.726 -0.166 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.633 0.666 0.644 1.00 0.00 C ATOM 0 H PHE A 100 10.496 0.798 -4.554 1.00 0.00 H new ATOM 0 HA PHE A 100 9.412 -1.670 -3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.251 1.038 -4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.211 -0.371 -4.000 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.590 -1.770 -1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.273 2.369 -2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.308 -1.425 0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.991 2.717 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.510 0.816 1.706 1.00 0.00 H new ATOM 1405 N VAL A 101 8.189 -2.348 -5.460 1.00 0.00 N ATOM 1406 CA VAL A 101 7.879 -2.972 -6.737 1.00 0.00 C ATOM 1407 C VAL A 101 6.545 -3.711 -6.629 1.00 0.00 C ATOM 1408 O VAL A 101 6.320 -4.459 -5.677 1.00 0.00 O ATOM 1409 CB VAL A 101 9.033 -3.880 -7.167 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.301 -3.067 -7.437 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.291 -4.969 -6.124 1.00 0.00 C ATOM 0 H VAL A 101 7.661 -2.713 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 101 7.769 -2.217 -7.515 1.00 0.00 H new ATOM 0 HB VAL A 101 8.745 -4.369 -8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.105 -3.737 -7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.109 -2.347 -8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.593 -2.537 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.116 -5.601 -6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.547 -4.506 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.394 -5.577 -6.003 1.00 0.00 H new ATOM 1421 N GLU A 102 5.693 -3.475 -7.615 1.00 0.00 N ATOM 1422 CA GLU A 102 4.386 -4.110 -7.644 1.00 0.00 C ATOM 1423 C GLU A 102 4.535 -5.632 -7.663 1.00 0.00 C ATOM 1424 O GLU A 102 5.186 -6.184 -8.549 1.00 0.00 O ATOM 1425 CB GLU A 102 3.565 -3.623 -8.839 1.00 0.00 C ATOM 1426 CG GLU A 102 4.477 -3.131 -9.966 1.00 0.00 C ATOM 1427 CD GLU A 102 3.751 -3.164 -11.312 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.615 -2.643 -11.356 1.00 0.00 O ATOM 1429 OE2 GLU A 102 4.349 -3.706 -12.267 1.00 0.00 O ATOM 0 H GLU A 102 5.882 -2.852 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 102 3.848 -3.829 -6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.933 -4.432 -9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.902 -2.817 -8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.809 -2.115 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.370 -3.755 -10.015 1.00 0.00 H new ATOM 1436 N CYS A 103 3.921 -6.268 -6.677 1.00 0.00 N ATOM 1437 CA CYS A 103 3.977 -7.716 -6.570 1.00 0.00 C ATOM 1438 C CYS A 103 3.468 -8.314 -7.882 1.00 0.00 C ATOM 1439 O CYS A 103 3.328 -7.607 -8.878 1.00 0.00 O ATOM 1440 CB CYS A 103 3.184 -8.225 -5.364 1.00 0.00 C ATOM 1441 SG CYS A 103 3.709 -7.536 -3.752 1.00 0.00 S ATOM 0 H CYS A 103 3.382 -5.807 -5.944 1.00 0.00 H new ATOM 0 HA CYS A 103 5.007 -8.032 -6.404 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.130 -7.993 -5.516 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.269 -9.311 -5.324 1.00 0.00 H new ATOM 0 HG CYS A 103 3.097 -8.163 -2.792 1.00 0.00 H new ATOM 1446 N THR A 104 3.204 -9.613 -7.841 1.00 0.00 N ATOM 1447 CA THR A 104 2.714 -10.314 -9.015 1.00 0.00 C ATOM 1448 C THR A 104 1.293 -10.830 -8.773 1.00 0.00 C ATOM 1449 O THR A 104 1.009 -12.005 -9.000 1.00 0.00 O ATOM 1450 CB THR A 104 3.712 -11.423 -9.355 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.700 -12.265 -8.206 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.153 -10.910 -9.427 1.00 0.00 C ATOM 0 H THR A 104 3.320 -10.197 -7.013 1.00 0.00 H new ATOM 0 HA THR A 104 2.643 -9.646 -9.873 1.00 0.00 H new ATOM 0 HB THR A 104 3.440 -11.878 -10.308 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.026 -11.764 -7.430 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.821 -11.736 -9.671 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.228 -10.143 -10.197 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.437 -10.486 -8.464 1.00 0.00 H new