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 92 HIS : no HD1:sc= -8.35! C(o=-12!,f=-15!) USER MOD Set 1.2: A 98 ASN : amide:sc= -3.89! K(o=-12!,f=-9.3) USER MOD Set 2.1: A 91 THR OG1 : rot 180:sc= 0.557 USER MOD Set 2.2: A 93 THR OG1 : rot 180:sc= 0.00631 USER MOD Set 3.1: A 81 ASN : amide:sc= -20.6! C(o=-49!,f=-28!) USER MOD Set 3.2: A 83 ASN : amide:sc= -20.5! C(o=-49!,f=-26!) USER MOD Set 3.3: A 85 GLN : amide:sc= -7.42! K(o=-49!,f=-26) USER MOD Set 4.1: A 27 HIS : no HD1:sc= -11.3! C(o=-15!,f=-19!) USER MOD Set 4.2: A 57 TYR OH : rot -70:sc= -3.42! USER MOD Set 5.1: A 36 ASN : amide:sc= -2.67! C(o=-2.7!,f=-4.9!) USER MOD Set 5.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 6 CYS SG : rot -33:sc= -20.7! USER MOD Set 6.2: A 9 ASN : amide:sc= -16.9! C(o=-85!,f=-90!) USER MOD Set 6.3: A 11 TYR OH : rot 42:sc= -9.29! USER MOD Set 6.4: A 103 CYS SG : rot -173:sc= -37.6! USER MOD Set 7.1: A 2 CYS SG : rot 1:sc= 0.14 USER MOD Set 7.2: A 10 CYS SG : rot 180:sc= -6.51! USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -68:sc= 0.254 USER MOD Single : A 8 SER OG : rot 64:sc= 0.959 USER MOD Single : A 12 SER OG : rot 180:sc= 0 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= -14.2! C(o=-14!,f=-18!) USER MOD Single : A 24 TYR OH : rot -82:sc= -3.69! USER MOD Single : A 25 LYS NZ :NH3+ 143:sc= 0.113 (180deg=-0.06) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -7.43! C(o=-7.3!,f=-9.8!) USER MOD Single : A 41 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0184) USER MOD Single : A 42 TYR OH : rot 41:sc= -5.13! USER MOD Single : A 43 ASN : amide:sc= -2.56! K(o=-2.6!,f=-0.72) USER MOD Single : A 44 ASN : amide:sc= -2.79! C(o=-2.8!,f=-1!) 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 -33:sc= 0.841 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -30:sc= -6.88! USER MOD Single : A 69 SER OG : rot 56:sc= 1.21 USER MOD Single : A 72 SER OG : rot 56:sc= 0.00781 USER MOD Single : A 84 ASN : amide:sc= -14.5! C(o=-15!,f=-7.7!) USER MOD Single : A 96 SER OG : rot -59:sc= 1.08 USER MOD Single : A 99 ASN : amide:sc= -24.5! C(o=-24!,f=-19!) USER MOD Single : A 104 THR OG1 : rot 150:sc= 0.323 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -4.567 -14.885 -6.224 1.00 0.00 N ATOM 12 CA CYS A 2 -3.611 -14.029 -5.542 1.00 0.00 C ATOM 13 C CYS A 2 -3.363 -12.796 -6.414 1.00 0.00 C ATOM 14 O CYS A 2 -2.241 -12.565 -6.862 1.00 0.00 O ATOM 15 CB CYS A 2 -2.312 -14.774 -5.223 1.00 0.00 C ATOM 16 SG CYS A 2 -2.296 -16.536 -5.716 1.00 0.00 S ATOM 0 HA CYS A 2 -4.019 -13.717 -4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -1.486 -14.265 -5.720 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -2.127 -14.710 -4.151 1.00 0.00 H new ATOM 0 HG CYS A 2 -3.425 -16.838 -6.285 1.00 0.00 H new ATOM 21 N ASP A 3 -4.427 -12.038 -6.628 1.00 0.00 N ATOM 22 CA ASP A 3 -4.339 -10.835 -7.437 1.00 0.00 C ATOM 23 C ASP A 3 -3.023 -10.117 -7.134 1.00 0.00 C ATOM 24 O ASP A 3 -2.469 -9.437 -7.997 1.00 0.00 O ATOM 25 CB ASP A 3 -5.487 -9.873 -7.122 1.00 0.00 C ATOM 26 CG ASP A 3 -6.889 -10.437 -7.362 1.00 0.00 C ATOM 27 OD1 ASP A 3 -6.998 -11.332 -8.228 1.00 0.00 O ATOM 28 OD2 ASP A 3 -7.817 -9.961 -6.674 1.00 0.00 O ATOM 0 H ASP A 3 -5.356 -12.234 -6.255 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.393 -11.129 -8.485 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.409 -9.567 -6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.365 -8.975 -7.727 1.00 0.00 H new ATOM 33 N TYR A 4 -2.560 -10.291 -5.905 1.00 0.00 N ATOM 34 CA TYR A 4 -1.319 -9.668 -5.477 1.00 0.00 C ATOM 35 C TYR A 4 -0.487 -10.631 -4.626 1.00 0.00 C ATOM 36 O TYR A 4 -0.882 -10.982 -3.515 1.00 0.00 O ATOM 37 CB TYR A 4 -1.724 -8.468 -4.620 1.00 0.00 C ATOM 38 CG TYR A 4 -2.663 -7.487 -5.326 1.00 0.00 C ATOM 39 CD1 TYR A 4 -2.159 -6.592 -6.247 1.00 0.00 C ATOM 40 CD2 TYR A 4 -4.012 -7.498 -5.040 1.00 0.00 C ATOM 41 CE1 TYR A 4 -3.043 -5.669 -6.912 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.896 -6.574 -5.704 1.00 0.00 C ATOM 43 CZ TYR A 4 -4.368 -5.706 -6.607 1.00 0.00 C ATOM 44 OH TYR A 4 -5.202 -4.835 -7.234 1.00 0.00 O ATOM 0 H TYR A 4 -3.022 -10.855 -5.192 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.716 -9.382 -6.339 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.208 -8.829 -3.713 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.825 -7.935 -4.311 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.102 -6.583 -6.469 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.406 -8.199 -4.319 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.662 -4.964 -7.636 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.954 -6.571 -5.489 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.119 -4.976 -6.919 1.00 0.00 H new ATOM 54 N THR A 5 0.648 -11.029 -5.180 1.00 0.00 N ATOM 55 CA THR A 5 1.539 -11.943 -4.486 1.00 0.00 C ATOM 56 C THR A 5 2.917 -11.306 -4.299 1.00 0.00 C ATOM 57 O THR A 5 3.663 -11.136 -5.262 1.00 0.00 O ATOM 58 CB THR A 5 1.578 -13.255 -5.274 1.00 0.00 C ATOM 59 OG1 THR A 5 0.640 -14.091 -4.603 1.00 0.00 O ATOM 60 CG2 THR A 5 2.910 -13.991 -5.120 1.00 0.00 C ATOM 0 H THR A 5 0.971 -10.735 -6.102 1.00 0.00 H new ATOM 0 HA THR A 5 1.177 -12.161 -3.481 1.00 0.00 H new ATOM 0 HB THR A 5 1.397 -13.050 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.985 -14.322 -3.715 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.885 -14.914 -5.699 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.720 -13.358 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.076 -14.226 -4.069 1.00 0.00 H new ATOM 68 N CYS A 6 3.214 -10.971 -3.052 1.00 0.00 N ATOM 69 CA CYS A 6 4.489 -10.356 -2.726 1.00 0.00 C ATOM 70 C CYS A 6 5.535 -11.464 -2.584 1.00 0.00 C ATOM 71 O CYS A 6 6.096 -11.660 -1.507 1.00 0.00 O ATOM 72 CB CYS A 6 4.396 -9.495 -1.464 1.00 0.00 C ATOM 73 SG CYS A 6 3.690 -7.827 -1.723 1.00 0.00 S ATOM 0 H CYS A 6 2.593 -11.114 -2.255 1.00 0.00 H new ATOM 0 HA CYS A 6 4.784 -9.679 -3.528 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.789 -10.020 -0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.394 -9.390 -1.039 1.00 0.00 H new ATOM 0 HG CYS A 6 4.019 -7.395 -2.904 1.00 0.00 H new ATOM 78 N GLY A 7 5.764 -12.161 -3.688 1.00 0.00 N ATOM 79 CA GLY A 7 6.733 -13.245 -3.700 1.00 0.00 C ATOM 80 C GLY A 7 6.084 -14.564 -3.279 1.00 0.00 C ATOM 81 O GLY A 7 6.303 -15.598 -3.910 1.00 0.00 O ATOM 0 H GLY A 7 5.296 -11.997 -4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.158 -13.347 -4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.556 -13.009 -3.026 1.00 0.00 H new ATOM 85 N SER A 8 5.298 -14.487 -2.215 1.00 0.00 N ATOM 86 CA SER A 8 4.616 -15.663 -1.701 1.00 0.00 C ATOM 87 C SER A 8 3.434 -15.242 -0.826 1.00 0.00 C ATOM 88 O SER A 8 3.271 -15.743 0.285 1.00 0.00 O ATOM 89 CB SER A 8 5.574 -16.554 -0.907 1.00 0.00 C ATOM 90 OG SER A 8 5.547 -16.256 0.486 1.00 0.00 O ATOM 0 H SER A 8 5.118 -13.628 -1.695 1.00 0.00 H new ATOM 0 HA SER A 8 4.245 -16.240 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.307 -17.600 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.588 -16.425 -1.286 1.00 0.00 H new ATOM 0 HG SER A 8 4.655 -16.447 0.844 1.00 0.00 H new ATOM 96 N ASN A 9 2.640 -14.326 -1.360 1.00 0.00 N ATOM 97 CA ASN A 9 1.478 -13.831 -0.642 1.00 0.00 C ATOM 98 C ASN A 9 0.224 -14.064 -1.487 1.00 0.00 C ATOM 99 O ASN A 9 0.254 -14.824 -2.454 1.00 0.00 O ATOM 100 CB ASN A 9 1.595 -12.330 -0.372 1.00 0.00 C ATOM 101 CG ASN A 9 2.939 -11.992 0.277 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.016 -11.538 1.407 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.990 -12.239 -0.499 1.00 0.00 N ATOM 0 H ASN A 9 2.779 -13.913 -2.282 1.00 0.00 H new ATOM 0 HA ASN A 9 1.416 -14.364 0.307 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.490 -11.780 -1.307 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.782 -12.010 0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.932 -12.048 -0.158 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.854 -12.620 -1.436 1.00 0.00 H new ATOM 110 N CYS A 10 -0.850 -13.396 -1.091 1.00 0.00 N ATOM 111 CA CYS A 10 -2.112 -13.519 -1.801 1.00 0.00 C ATOM 112 C CYS A 10 -3.094 -12.505 -1.214 1.00 0.00 C ATOM 113 O CYS A 10 -3.961 -12.863 -0.417 1.00 0.00 O ATOM 114 CB CYS A 10 -2.659 -14.947 -1.737 1.00 0.00 C ATOM 115 SG CYS A 10 -4.143 -15.248 -2.764 1.00 0.00 S ATOM 0 H CYS A 10 -0.872 -12.768 -0.288 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.960 -13.305 -2.859 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.874 -15.636 -2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.898 -15.183 -0.700 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.516 -16.486 -2.634 1.00 0.00 H new ATOM 120 N TYR A 11 -2.928 -11.258 -1.629 1.00 0.00 N ATOM 121 CA TYR A 11 -3.789 -10.189 -1.155 1.00 0.00 C ATOM 122 C TYR A 11 -4.974 -9.979 -2.100 1.00 0.00 C ATOM 123 O TYR A 11 -5.241 -8.857 -2.526 1.00 0.00 O ATOM 124 CB TYR A 11 -2.928 -8.925 -1.147 1.00 0.00 C ATOM 125 CG TYR A 11 -1.508 -9.142 -0.621 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.289 -9.293 0.733 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.446 -9.189 -1.501 1.00 0.00 C ATOM 128 CE1 TYR A 11 0.048 -9.498 1.229 1.00 0.00 C ATOM 129 CE2 TYR A 11 0.891 -9.394 -1.006 1.00 0.00 C ATOM 130 CZ TYR A 11 1.071 -9.538 0.334 1.00 0.00 C ATOM 131 OH TYR A 11 2.334 -9.733 0.802 1.00 0.00 O ATOM 0 H TYR A 11 -2.208 -10.964 -2.290 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.189 -10.428 -0.170 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.872 -8.530 -2.161 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.419 -8.167 -0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.120 -9.257 1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.617 -9.072 -2.561 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.233 -9.617 2.286 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.731 -9.432 -1.684 1.00 0.00 H new ATOM 0 HH TYR A 11 2.322 -10.423 1.497 1.00 0.00 H new ATOM 141 N SER A 12 -5.653 -11.077 -2.399 1.00 0.00 N ATOM 142 CA SER A 12 -6.803 -11.027 -3.285 1.00 0.00 C ATOM 143 C SER A 12 -7.469 -9.651 -3.203 1.00 0.00 C ATOM 144 O SER A 12 -7.389 -8.980 -2.176 1.00 0.00 O ATOM 145 CB SER A 12 -7.811 -12.125 -2.943 1.00 0.00 C ATOM 146 OG SER A 12 -8.047 -12.998 -4.045 1.00 0.00 O ATOM 0 H SER A 12 -5.429 -12.006 -2.043 1.00 0.00 H new ATOM 0 HA SER A 12 -6.455 -11.195 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.443 -12.703 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.752 -11.669 -2.634 1.00 0.00 H new ATOM 0 HG SER A 12 -8.695 -13.686 -3.785 1.00 0.00 H new ATOM 152 N SER A 13 -8.110 -9.274 -4.299 1.00 0.00 N ATOM 153 CA SER A 13 -8.788 -7.990 -4.364 1.00 0.00 C ATOM 154 C SER A 13 -9.470 -7.691 -3.027 1.00 0.00 C ATOM 155 O SER A 13 -9.719 -6.532 -2.698 1.00 0.00 O ATOM 156 CB SER A 13 -9.813 -7.965 -5.499 1.00 0.00 C ATOM 157 OG SER A 13 -10.631 -9.132 -5.506 1.00 0.00 O ATOM 0 H SER A 13 -8.174 -9.834 -5.149 1.00 0.00 H new ATOM 0 HA SER A 13 -8.044 -7.220 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.443 -7.081 -5.399 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.294 -7.880 -6.454 1.00 0.00 H new ATOM 0 HG SER A 13 -11.273 -9.077 -6.244 1.00 0.00 H new ATOM 163 N SER A 14 -9.754 -8.756 -2.293 1.00 0.00 N ATOM 164 CA SER A 14 -10.403 -8.622 -0.999 1.00 0.00 C ATOM 165 C SER A 14 -9.370 -8.254 0.069 1.00 0.00 C ATOM 166 O SER A 14 -9.710 -7.639 1.078 1.00 0.00 O ATOM 167 CB SER A 14 -11.130 -9.912 -0.611 1.00 0.00 C ATOM 168 OG SER A 14 -11.864 -9.767 0.602 1.00 0.00 O ATOM 0 H SER A 14 -9.547 -9.716 -2.569 1.00 0.00 H new ATOM 0 HA SER A 14 -11.144 -7.826 -1.069 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.809 -10.201 -1.413 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.405 -10.718 -0.502 1.00 0.00 H new ATOM 0 HG SER A 14 -12.315 -10.611 0.814 1.00 0.00 H new ATOM 174 N ASP A 15 -8.131 -8.645 -0.192 1.00 0.00 N ATOM 175 CA ASP A 15 -7.048 -8.363 0.734 1.00 0.00 C ATOM 176 C ASP A 15 -6.554 -6.932 0.513 1.00 0.00 C ATOM 177 O ASP A 15 -5.972 -6.327 1.413 1.00 0.00 O ATOM 178 CB ASP A 15 -5.868 -9.310 0.505 1.00 0.00 C ATOM 179 CG ASP A 15 -5.814 -10.515 1.449 1.00 0.00 C ATOM 180 OD1 ASP A 15 -6.406 -11.551 1.080 1.00 0.00 O ATOM 181 OD2 ASP A 15 -5.180 -10.371 2.516 1.00 0.00 O ATOM 0 H ASP A 15 -7.854 -9.154 -1.031 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.427 -8.496 1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.907 -9.673 -0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.942 -8.744 0.608 1.00 0.00 H new ATOM 186 N VAL A 16 -6.803 -6.432 -0.687 1.00 0.00 N ATOM 187 CA VAL A 16 -6.392 -5.083 -1.038 1.00 0.00 C ATOM 188 C VAL A 16 -7.288 -4.077 -0.313 1.00 0.00 C ATOM 189 O VAL A 16 -6.843 -3.391 0.605 1.00 0.00 O ATOM 190 CB VAL A 16 -6.404 -4.909 -2.557 1.00 0.00 C ATOM 191 CG1 VAL A 16 -6.387 -3.428 -2.940 1.00 0.00 C ATOM 192 CG2 VAL A 16 -5.236 -5.656 -3.204 1.00 0.00 C ATOM 0 H VAL A 16 -7.285 -6.937 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.368 -4.900 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.330 -5.342 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.396 -3.333 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.266 -2.935 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.487 -2.960 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.268 -5.516 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.295 -5.267 -2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.312 -6.719 -2.974 1.00 0.00 H new ATOM 202 N SER A 17 -8.537 -4.020 -0.754 1.00 0.00 N ATOM 203 CA SER A 17 -9.500 -3.109 -0.159 1.00 0.00 C ATOM 204 C SER A 17 -9.312 -3.066 1.358 1.00 0.00 C ATOM 205 O SER A 17 -9.161 -1.992 1.939 1.00 0.00 O ATOM 206 CB SER A 17 -10.933 -3.520 -0.506 1.00 0.00 C ATOM 207 OG SER A 17 -11.853 -2.446 -0.330 1.00 0.00 O ATOM 0 H SER A 17 -8.904 -4.590 -1.516 1.00 0.00 H new ATOM 0 HA SER A 17 -9.327 -2.113 -0.567 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.971 -3.865 -1.539 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.232 -4.360 0.121 1.00 0.00 H new ATOM 0 HG SER A 17 -12.756 -2.747 -0.563 1.00 0.00 H new ATOM 213 N THR A 18 -9.327 -4.248 1.957 1.00 0.00 N ATOM 214 CA THR A 18 -9.159 -4.358 3.397 1.00 0.00 C ATOM 215 C THR A 18 -7.951 -3.542 3.857 1.00 0.00 C ATOM 216 O THR A 18 -8.048 -2.764 4.805 1.00 0.00 O ATOM 217 CB THR A 18 -9.060 -5.844 3.748 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.408 -6.234 3.997 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.350 -6.084 5.082 1.00 0.00 C ATOM 0 H THR A 18 -9.453 -5.137 1.473 1.00 0.00 H new ATOM 0 HA THR A 18 -10.014 -3.940 3.929 1.00 0.00 H new ATOM 0 HB THR A 18 -8.529 -6.369 2.954 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.436 -7.185 4.230 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.307 -7.154 5.284 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.338 -5.683 5.033 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.899 -5.586 5.881 1.00 0.00 H new ATOM 227 N ALA A 19 -6.839 -3.749 3.167 1.00 0.00 N ATOM 228 CA ALA A 19 -5.612 -3.042 3.494 1.00 0.00 C ATOM 229 C ALA A 19 -5.841 -1.537 3.343 1.00 0.00 C ATOM 230 O ALA A 19 -5.426 -0.754 4.197 1.00 0.00 O ATOM 231 CB ALA A 19 -4.478 -3.552 2.603 1.00 0.00 C ATOM 0 H ALA A 19 -6.762 -4.396 2.383 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.324 -3.229 4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.557 -3.022 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.337 -4.620 2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.730 -3.377 1.557 1.00 0.00 H new ATOM 237 N GLN A 20 -6.501 -1.177 2.252 1.00 0.00 N ATOM 238 CA GLN A 20 -6.789 0.221 1.980 1.00 0.00 C ATOM 239 C GLN A 20 -7.614 0.824 3.118 1.00 0.00 C ATOM 240 O GLN A 20 -7.214 1.820 3.720 1.00 0.00 O ATOM 241 CB GLN A 20 -7.507 0.381 0.639 1.00 0.00 C ATOM 242 CG GLN A 20 -6.890 -0.528 -0.426 1.00 0.00 C ATOM 243 CD GLN A 20 -7.669 -0.443 -1.740 1.00 0.00 C ATOM 244 OE1 GLN A 20 -8.194 -1.421 -2.245 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.713 0.779 -2.263 1.00 0.00 N ATOM 0 H GLN A 20 -6.844 -1.829 1.546 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.844 0.761 1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.564 0.142 0.758 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.449 1.420 0.313 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.852 -0.242 -0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.883 -1.558 -0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.251 1.554 -1.787 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.209 0.941 -3.140 1.00 0.00 H new ATOM 254 N ALA A 21 -8.752 0.196 3.379 1.00 0.00 N ATOM 255 CA ALA A 21 -9.637 0.660 4.435 1.00 0.00 C ATOM 256 C ALA A 21 -8.802 1.250 5.573 1.00 0.00 C ATOM 257 O ALA A 21 -9.170 2.270 6.153 1.00 0.00 O ATOM 258 CB ALA A 21 -10.523 -0.498 4.902 1.00 0.00 C ATOM 0 H ALA A 21 -9.081 -0.629 2.878 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.294 1.448 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.187 -0.152 5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.117 -0.863 4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.897 -1.305 5.281 1.00 0.00 H new ATOM 264 N ALA A 22 -7.692 0.585 5.856 1.00 0.00 N ATOM 265 CA ALA A 22 -6.802 1.032 6.914 1.00 0.00 C ATOM 266 C ALA A 22 -6.058 2.288 6.453 1.00 0.00 C ATOM 267 O ALA A 22 -6.109 3.322 7.116 1.00 0.00 O ATOM 268 CB ALA A 22 -5.848 -0.103 7.293 1.00 0.00 C ATOM 0 H ALA A 22 -7.389 -0.260 5.371 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.370 1.293 7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.180 0.233 8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.423 -0.961 7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.260 -0.390 6.421 1.00 0.00 H new ATOM 274 N GLY A 23 -5.386 2.155 5.318 1.00 0.00 N ATOM 275 CA GLY A 23 -4.633 3.266 4.761 1.00 0.00 C ATOM 276 C GLY A 23 -5.525 4.497 4.580 1.00 0.00 C ATOM 277 O GLY A 23 -5.108 5.617 4.866 1.00 0.00 O ATOM 0 H GLY A 23 -5.348 1.296 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.799 3.510 5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.207 2.976 3.800 1.00 0.00 H new ATOM 281 N TYR A 24 -6.737 4.244 4.105 1.00 0.00 N ATOM 282 CA TYR A 24 -7.691 5.317 3.881 1.00 0.00 C ATOM 283 C TYR A 24 -8.181 5.899 5.208 1.00 0.00 C ATOM 284 O TYR A 24 -7.896 7.053 5.528 1.00 0.00 O ATOM 285 CB TYR A 24 -8.874 4.683 3.149 1.00 0.00 C ATOM 286 CG TYR A 24 -9.567 5.619 2.157 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.946 5.949 0.970 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.813 6.136 2.450 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.598 6.832 0.036 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.466 7.017 1.517 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.825 7.322 0.357 1.00 0.00 C ATOM 292 OH TYR A 24 -11.441 8.155 -0.525 1.00 0.00 O ATOM 0 H TYR A 24 -7.079 3.312 3.870 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.233 6.126 3.312 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.526 3.798 2.616 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.604 4.345 3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.971 5.545 0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.298 5.879 3.380 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.123 7.098 -0.897 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.442 7.426 1.733 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.097 9.065 -0.410 1.00 0.00 H new ATOM 302 N LYS A 25 -8.910 5.075 5.947 1.00 0.00 N ATOM 303 CA LYS A 25 -9.442 5.495 7.232 1.00 0.00 C ATOM 304 C LYS A 25 -8.361 6.256 8.003 1.00 0.00 C ATOM 305 O LYS A 25 -8.574 7.396 8.414 1.00 0.00 O ATOM 306 CB LYS A 25 -10.012 4.296 7.993 1.00 0.00 C ATOM 307 CG LYS A 25 -10.696 4.743 9.286 1.00 0.00 C ATOM 308 CD LYS A 25 -11.951 5.565 8.986 1.00 0.00 C ATOM 309 CE LYS A 25 -12.773 5.795 10.256 1.00 0.00 C ATOM 310 NZ LYS A 25 -12.017 6.627 11.219 1.00 0.00 N ATOM 0 H LYS A 25 -9.144 4.119 5.680 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.277 6.181 7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.727 3.767 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.211 3.594 8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.963 3.870 9.881 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.003 5.336 9.882 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.667 6.524 8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.559 5.049 8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.714 6.284 10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.024 4.837 10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.670 7.270 11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.548 6.013 11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.301 7.183 10.710 1.00 0.00 H new ATOM 324 N LEU A 26 -7.226 5.595 8.176 1.00 0.00 N ATOM 325 CA LEU A 26 -6.112 6.195 8.890 1.00 0.00 C ATOM 326 C LEU A 26 -5.669 7.464 8.161 1.00 0.00 C ATOM 327 O LEU A 26 -5.251 8.433 8.793 1.00 0.00 O ATOM 328 CB LEU A 26 -4.990 5.174 9.086 1.00 0.00 C ATOM 329 CG LEU A 26 -3.641 5.739 9.538 1.00 0.00 C ATOM 330 CD1 LEU A 26 -3.806 6.638 10.765 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.631 4.617 9.781 1.00 0.00 C ATOM 0 H LEU A 26 -7.054 4.650 7.834 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.418 6.494 9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.319 4.439 9.821 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.842 4.641 8.147 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.245 6.361 8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.833 7.026 11.065 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.468 7.469 10.521 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.235 6.061 11.584 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.681 5.045 10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.008 3.950 10.556 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.483 4.055 8.859 1.00 0.00 H new ATOM 343 N HIS A 27 -5.775 7.418 6.841 1.00 0.00 N ATOM 344 CA HIS A 27 -5.390 8.552 6.019 1.00 0.00 C ATOM 345 C HIS A 27 -6.341 9.723 6.280 1.00 0.00 C ATOM 346 O HIS A 27 -5.900 10.853 6.482 1.00 0.00 O ATOM 347 CB HIS A 27 -5.329 8.157 4.542 1.00 0.00 C ATOM 348 CG HIS A 27 -5.221 9.330 3.597 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.175 10.235 3.642 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.037 9.734 2.581 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.365 11.140 2.692 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.519 10.828 2.037 1.00 0.00 N ATOM 0 H HIS A 27 -6.122 6.612 6.320 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.386 8.877 6.291 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.474 7.499 4.387 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.222 7.583 4.293 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.950 9.246 2.272 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.719 11.978 2.475 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.919 11.350 1.257 1.00 0.00 H new ATOM 361 N GLU A 28 -7.629 9.410 6.269 1.00 0.00 N ATOM 362 CA GLU A 28 -8.646 10.421 6.502 1.00 0.00 C ATOM 363 C GLU A 28 -8.517 10.987 7.917 1.00 0.00 C ATOM 364 O GLU A 28 -8.942 12.110 8.181 1.00 0.00 O ATOM 365 CB GLU A 28 -10.047 9.854 6.263 1.00 0.00 C ATOM 366 CG GLU A 28 -9.979 8.391 5.820 1.00 0.00 C ATOM 367 CD GLU A 28 -11.380 7.825 5.580 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.336 8.627 5.647 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.463 6.602 5.334 1.00 0.00 O ATOM 0 H GLU A 28 -7.991 8.471 6.102 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.493 11.234 5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.636 9.934 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.557 10.445 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.389 8.311 4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.470 7.800 6.581 1.00 0.00 H new ATOM 376 N ASP A 29 -7.931 10.181 8.791 1.00 0.00 N ATOM 377 CA ASP A 29 -7.741 10.588 10.173 1.00 0.00 C ATOM 378 C ASP A 29 -6.449 11.399 10.289 1.00 0.00 C ATOM 379 O ASP A 29 -6.294 12.197 11.212 1.00 0.00 O ATOM 380 CB ASP A 29 -7.619 9.371 11.093 1.00 0.00 C ATOM 381 CG ASP A 29 -8.837 8.444 11.104 1.00 0.00 C ATOM 382 OD1 ASP A 29 -9.652 8.566 10.164 1.00 0.00 O ATOM 383 OD2 ASP A 29 -8.924 7.634 12.052 1.00 0.00 O ATOM 0 H ASP A 29 -7.582 9.249 8.569 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.605 11.182 10.471 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.745 8.794 10.793 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.437 9.720 12.110 1.00 0.00 H new ATOM 388 N GLY A 30 -5.555 11.167 9.340 1.00 0.00 N ATOM 389 CA GLY A 30 -4.282 11.867 9.323 1.00 0.00 C ATOM 390 C GLY A 30 -3.324 11.286 10.366 1.00 0.00 C ATOM 391 O GLY A 30 -2.397 11.964 10.808 1.00 0.00 O ATOM 0 H GLY A 30 -5.687 10.504 8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.835 11.793 8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.443 12.927 9.522 1.00 0.00 H new ATOM 395 N GLU A 31 -3.581 10.038 10.730 1.00 0.00 N ATOM 396 CA GLU A 31 -2.754 9.360 11.713 1.00 0.00 C ATOM 397 C GLU A 31 -1.717 8.477 11.015 1.00 0.00 C ATOM 398 O GLU A 31 -1.717 8.363 9.790 1.00 0.00 O ATOM 399 CB GLU A 31 -3.611 8.540 12.679 1.00 0.00 C ATOM 400 CG GLU A 31 -4.056 9.388 13.872 1.00 0.00 C ATOM 401 CD GLU A 31 -2.904 9.600 14.855 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.302 8.580 15.252 1.00 0.00 O ATOM 403 OE2 GLU A 31 -2.651 10.778 15.188 1.00 0.00 O ATOM 0 H GLU A 31 -4.350 9.479 10.362 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.227 10.114 12.298 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.486 8.154 12.156 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.044 7.678 13.032 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.421 10.353 13.521 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.887 8.899 14.380 1.00 0.00 H new ATOM 410 N THR A 32 -0.859 7.875 11.825 1.00 0.00 N ATOM 411 CA THR A 32 0.181 7.004 11.300 1.00 0.00 C ATOM 412 C THR A 32 0.184 5.669 12.046 1.00 0.00 C ATOM 413 O THR A 32 -0.554 5.491 13.013 1.00 0.00 O ATOM 414 CB THR A 32 1.512 7.754 11.388 1.00 0.00 C ATOM 415 OG1 THR A 32 1.687 7.989 12.783 1.00 0.00 O ATOM 416 CG2 THR A 32 1.436 9.156 10.781 1.00 0.00 C ATOM 0 H THR A 32 -0.862 7.972 12.840 1.00 0.00 H new ATOM 0 HA THR A 32 0.000 6.755 10.254 1.00 0.00 H new ATOM 0 HB THR A 32 2.286 7.180 10.879 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.528 8.470 12.931 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.407 9.644 10.870 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.162 9.082 9.729 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.685 9.742 11.311 1.00 0.00 H new ATOM 424 N VAL A 33 1.025 4.763 11.567 1.00 0.00 N ATOM 425 CA VAL A 33 1.135 3.449 12.177 1.00 0.00 C ATOM 426 C VAL A 33 2.612 3.060 12.276 1.00 0.00 C ATOM 427 O VAL A 33 3.363 3.209 11.312 1.00 0.00 O ATOM 428 CB VAL A 33 0.301 2.435 11.389 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.095 2.987 11.095 1.00 0.00 C ATOM 430 CG2 VAL A 33 1.012 2.025 10.099 1.00 0.00 C ATOM 0 H VAL A 33 1.636 4.913 10.764 1.00 0.00 H new ATOM 0 HA VAL A 33 0.734 3.463 13.190 1.00 0.00 H new ATOM 0 HB VAL A 33 0.186 1.543 12.005 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.668 2.248 10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.605 3.206 12.033 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.009 3.901 10.507 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.398 1.304 9.559 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.172 2.905 9.476 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.974 1.573 10.342 1.00 0.00 H new ATOM 440 N GLY A 34 2.983 2.567 13.447 1.00 0.00 N ATOM 441 CA GLY A 34 4.356 2.154 13.685 1.00 0.00 C ATOM 442 C GLY A 34 5.252 3.363 13.963 1.00 0.00 C ATOM 443 O GLY A 34 4.791 4.373 14.495 1.00 0.00 O ATOM 0 H GLY A 34 2.357 2.444 14.243 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.392 1.468 14.531 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.731 1.610 12.818 1.00 0.00 H new ATOM 447 N SER A 35 6.515 3.222 13.592 1.00 0.00 N ATOM 448 CA SER A 35 7.479 4.290 13.794 1.00 0.00 C ATOM 449 C SER A 35 7.629 5.110 12.511 1.00 0.00 C ATOM 450 O SER A 35 8.329 6.121 12.496 1.00 0.00 O ATOM 451 CB SER A 35 8.836 3.731 14.229 1.00 0.00 C ATOM 452 OG SER A 35 9.486 3.026 13.175 1.00 0.00 O ATOM 0 H SER A 35 6.894 2.383 13.152 1.00 0.00 H new ATOM 0 HA SER A 35 7.111 4.938 14.590 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.474 4.548 14.566 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.697 3.064 15.080 1.00 0.00 H new ATOM 0 HG SER A 35 10.349 2.687 13.492 1.00 0.00 H new ATOM 458 N ASN A 36 6.962 4.643 11.467 1.00 0.00 N ATOM 459 CA ASN A 36 7.012 5.320 10.182 1.00 0.00 C ATOM 460 C ASN A 36 5.920 6.390 10.132 1.00 0.00 C ATOM 461 O ASN A 36 5.365 6.765 11.163 1.00 0.00 O ATOM 462 CB ASN A 36 6.767 4.340 9.033 1.00 0.00 C ATOM 463 CG ASN A 36 8.081 3.966 8.341 1.00 0.00 C ATOM 464 OD1 ASN A 36 9.158 4.390 8.728 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.931 3.152 7.301 1.00 0.00 N ATOM 0 H ASN A 36 6.383 3.803 11.484 1.00 0.00 H new ATOM 0 HA ASN A 36 8.002 5.763 10.073 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.284 3.440 9.414 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.085 4.786 8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.747 2.844 6.772 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.000 2.835 7.031 1.00 0.00 H new ATOM 472 N SER A 37 5.644 6.852 8.921 1.00 0.00 N ATOM 473 CA SER A 37 4.628 7.871 8.722 1.00 0.00 C ATOM 474 C SER A 37 3.579 7.378 7.722 1.00 0.00 C ATOM 475 O SER A 37 3.162 8.124 6.838 1.00 0.00 O ATOM 476 CB SER A 37 5.250 9.182 8.236 1.00 0.00 C ATOM 477 OG SER A 37 6.111 8.981 7.119 1.00 0.00 O ATOM 0 H SER A 37 6.107 6.539 8.068 1.00 0.00 H new ATOM 0 HA SER A 37 4.145 8.063 9.680 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.458 9.880 7.963 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.812 9.640 9.050 1.00 0.00 H new ATOM 0 HG SER A 37 6.487 9.841 6.837 1.00 0.00 H new ATOM 483 N TYR A 38 3.186 6.125 7.897 1.00 0.00 N ATOM 484 CA TYR A 38 2.195 5.524 7.020 1.00 0.00 C ATOM 485 C TYR A 38 0.789 5.653 7.611 1.00 0.00 C ATOM 486 O TYR A 38 0.616 5.601 8.828 1.00 0.00 O ATOM 487 CB TYR A 38 2.560 4.041 6.926 1.00 0.00 C ATOM 488 CG TYR A 38 3.870 3.769 6.183 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.936 4.633 6.325 1.00 0.00 C ATOM 490 CD2 TYR A 38 3.984 2.659 5.371 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.168 4.377 5.625 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.216 2.403 4.671 1.00 0.00 C ATOM 493 CZ TYR A 38 6.248 3.274 4.833 1.00 0.00 C ATOM 494 OH TYR A 38 7.411 3.033 4.173 1.00 0.00 O ATOM 0 H TYR A 38 3.535 5.510 8.632 1.00 0.00 H new ATOM 0 HA TYR A 38 2.193 6.018 6.048 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.633 3.631 7.933 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.752 3.509 6.423 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.847 5.501 6.961 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.149 1.983 5.261 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.010 5.046 5.727 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.318 1.539 4.032 1.00 0.00 H new ATOM 0 HH TYR A 38 7.324 2.211 3.646 1.00 0.00 H new ATOM 504 N PRO A 39 -0.205 5.827 6.699 1.00 0.00 N ATOM 505 CA PRO A 39 0.087 5.879 5.276 1.00 0.00 C ATOM 506 C PRO A 39 0.719 7.220 4.895 1.00 0.00 C ATOM 507 O PRO A 39 1.034 8.032 5.764 1.00 0.00 O ATOM 508 CB PRO A 39 -1.248 5.636 4.592 1.00 0.00 C ATOM 509 CG PRO A 39 -2.311 5.918 5.641 1.00 0.00 C ATOM 510 CD PRO A 39 -1.626 5.978 6.996 1.00 0.00 C ATOM 0 HA PRO A 39 0.819 5.132 4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.369 6.289 3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.320 4.611 4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.817 6.859 5.428 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.072 5.138 5.632 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.827 6.923 7.500 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.980 5.184 7.654 1.00 0.00 H new ATOM 518 N HIS A 40 0.884 7.412 3.594 1.00 0.00 N ATOM 519 CA HIS A 40 1.472 8.639 3.087 1.00 0.00 C ATOM 520 C HIS A 40 1.613 8.552 1.566 1.00 0.00 C ATOM 521 O HIS A 40 1.566 7.462 0.997 1.00 0.00 O ATOM 522 CB HIS A 40 2.799 8.937 3.789 1.00 0.00 C ATOM 523 CG HIS A 40 3.906 7.970 3.444 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.708 8.116 2.326 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.337 6.844 4.083 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.578 7.116 2.301 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.346 6.329 3.391 1.00 0.00 N ATOM 0 H HIS A 40 0.620 6.737 2.876 1.00 0.00 H new ATOM 0 HA HIS A 40 0.814 9.479 3.308 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.118 9.946 3.528 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.640 8.921 4.867 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.927 6.440 4.997 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.337 6.953 1.550 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.863 5.484 3.634 1.00 0.00 H new ATOM 536 N LYS A 41 1.781 9.713 0.951 1.00 0.00 N ATOM 537 CA LYS A 41 1.929 9.780 -0.492 1.00 0.00 C ATOM 538 C LYS A 41 2.872 8.669 -0.957 1.00 0.00 C ATOM 539 O LYS A 41 3.580 8.072 -0.148 1.00 0.00 O ATOM 540 CB LYS A 41 2.371 11.181 -0.921 1.00 0.00 C ATOM 541 CG LYS A 41 1.523 11.692 -2.086 1.00 0.00 C ATOM 542 CD LYS A 41 2.166 12.918 -2.737 1.00 0.00 C ATOM 543 CE LYS A 41 1.108 13.814 -3.384 1.00 0.00 C ATOM 544 NZ LYS A 41 0.411 14.619 -2.356 1.00 0.00 N ATOM 0 H LYS A 41 1.818 10.615 1.426 1.00 0.00 H new ATOM 0 HA LYS A 41 0.970 9.609 -0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.287 11.867 -0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.421 11.161 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.405 10.902 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.525 11.947 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.718 13.485 -1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.887 12.598 -3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.578 14.473 -4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.387 13.202 -3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.563 14.810 -2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.392 14.094 -1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.914 15.519 -2.220 1.00 0.00 H new ATOM 558 N TYR A 42 2.851 8.425 -2.260 1.00 0.00 N ATOM 559 CA TYR A 42 3.695 7.395 -2.841 1.00 0.00 C ATOM 560 C TYR A 42 4.039 7.725 -4.295 1.00 0.00 C ATOM 561 O TYR A 42 4.533 6.872 -5.029 1.00 0.00 O ATOM 562 CB TYR A 42 2.873 6.105 -2.805 1.00 0.00 C ATOM 563 CG TYR A 42 3.484 4.955 -3.608 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.195 4.822 -4.951 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.324 4.052 -2.991 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.770 3.740 -5.708 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.898 2.969 -3.747 1.00 0.00 C ATOM 568 CZ TYR A 42 4.593 2.867 -5.068 1.00 0.00 C ATOM 569 OH TYR A 42 5.136 1.845 -5.783 1.00 0.00 O ATOM 0 H TYR A 42 2.263 8.923 -2.929 1.00 0.00 H new ATOM 0 HA TYR A 42 4.631 7.310 -2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.757 5.789 -1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.874 6.312 -3.189 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.538 5.529 -5.434 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.551 4.157 -1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.553 3.625 -6.760 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.556 2.254 -3.275 1.00 0.00 H new ATOM 0 HH TYR A 42 5.415 2.173 -6.663 1.00 0.00 H new ATOM 579 N ASN A 43 3.764 8.968 -4.667 1.00 0.00 N ATOM 580 CA ASN A 43 4.038 9.421 -6.021 1.00 0.00 C ATOM 581 C ASN A 43 4.846 8.352 -6.758 1.00 0.00 C ATOM 582 O ASN A 43 6.075 8.396 -6.771 1.00 0.00 O ATOM 583 CB ASN A 43 4.858 10.713 -6.013 1.00 0.00 C ATOM 584 CG ASN A 43 3.957 11.935 -6.200 1.00 0.00 C ATOM 585 OD1 ASN A 43 4.329 12.923 -6.812 1.00 0.00 O ATOM 586 ND2 ASN A 43 2.757 11.814 -5.641 1.00 0.00 N ATOM 0 H ASN A 43 3.355 9.674 -4.055 1.00 0.00 H new ATOM 0 HA ASN A 43 3.084 9.602 -6.516 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.401 10.798 -5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.602 10.680 -6.808 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.083 12.576 -5.710 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.510 10.959 -5.143 1.00 0.00 H new ATOM 593 N ASN A 44 4.123 7.415 -7.355 1.00 0.00 N ATOM 594 CA ASN A 44 4.758 6.337 -8.094 1.00 0.00 C ATOM 595 C ASN A 44 5.809 6.922 -9.039 1.00 0.00 C ATOM 596 O ASN A 44 5.776 8.111 -9.350 1.00 0.00 O ATOM 597 CB ASN A 44 3.736 5.572 -8.938 1.00 0.00 C ATOM 598 CG ASN A 44 3.455 6.301 -10.252 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.474 7.011 -10.401 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.367 6.087 -11.196 1.00 0.00 N ATOM 0 H ASN A 44 3.104 7.380 -7.342 1.00 0.00 H new ATOM 0 HA ASN A 44 5.213 5.657 -7.374 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.109 4.569 -9.147 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.809 5.457 -8.377 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.268 6.529 -12.110 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.165 5.481 -11.006 1.00 0.00 H new ATOM 607 N TYR A 45 6.717 6.058 -9.469 1.00 0.00 N ATOM 608 CA TYR A 45 7.776 6.473 -10.373 1.00 0.00 C ATOM 609 C TYR A 45 8.565 5.266 -10.885 1.00 0.00 C ATOM 610 O TYR A 45 8.882 5.186 -12.071 1.00 0.00 O ATOM 611 CB TYR A 45 8.707 7.364 -9.549 1.00 0.00 C ATOM 612 CG TYR A 45 8.439 8.861 -9.707 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.463 9.299 -10.580 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.171 9.776 -8.978 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.209 10.708 -10.730 1.00 0.00 C ATOM 616 CE2 TYR A 45 8.918 11.185 -9.127 1.00 0.00 C ATOM 617 CZ TYR A 45 7.949 11.582 -9.995 1.00 0.00 C ATOM 618 OH TYR A 45 7.709 12.913 -10.137 1.00 0.00 O ATOM 0 H TYR A 45 6.741 5.072 -9.208 1.00 0.00 H new ATOM 0 HA TYR A 45 7.362 6.989 -11.239 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.610 7.097 -8.497 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.738 7.158 -9.836 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.890 8.584 -11.151 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.935 9.434 -8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.449 11.063 -11.410 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.485 11.911 -8.562 1.00 0.00 H new ATOM 0 HH TYR A 45 8.310 13.418 -9.551 1.00 0.00 H new ATOM 628 N GLU A 46 8.858 4.359 -9.966 1.00 0.00 N ATOM 629 CA GLU A 46 9.604 3.160 -10.310 1.00 0.00 C ATOM 630 C GLU A 46 9.067 2.554 -11.609 1.00 0.00 C ATOM 631 O GLU A 46 9.761 1.788 -12.274 1.00 0.00 O ATOM 632 CB GLU A 46 9.558 2.140 -9.170 1.00 0.00 C ATOM 633 CG GLU A 46 10.093 2.746 -7.871 1.00 0.00 C ATOM 634 CD GLU A 46 10.455 1.652 -6.864 1.00 0.00 C ATOM 635 OE1 GLU A 46 11.124 0.686 -7.292 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.056 1.806 -5.690 1.00 0.00 O ATOM 0 H GLU A 46 8.593 4.430 -8.984 1.00 0.00 H new ATOM 0 HA GLU A 46 10.647 3.437 -10.465 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.533 1.800 -9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.149 1.264 -9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.972 3.354 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.344 3.409 -7.439 1.00 0.00 H new ATOM 643 N GLY A 47 7.835 2.922 -11.930 1.00 0.00 N ATOM 644 CA GLY A 47 7.196 2.425 -13.137 1.00 0.00 C ATOM 645 C GLY A 47 5.989 1.550 -12.798 1.00 0.00 C ATOM 646 O GLY A 47 5.906 0.403 -13.237 1.00 0.00 O ATOM 0 H GLY A 47 7.262 3.558 -11.375 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.879 3.264 -13.757 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.914 1.850 -13.722 1.00 0.00 H new ATOM 650 N PHE A 48 5.082 2.122 -12.019 1.00 0.00 N ATOM 651 CA PHE A 48 3.884 1.408 -11.616 1.00 0.00 C ATOM 652 C PHE A 48 2.693 1.794 -12.496 1.00 0.00 C ATOM 653 O PHE A 48 2.483 2.972 -12.780 1.00 0.00 O ATOM 654 CB PHE A 48 3.586 1.812 -10.171 1.00 0.00 C ATOM 655 CG PHE A 48 4.592 1.270 -9.154 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.452 0.008 -8.666 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.626 2.050 -8.737 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.386 -0.495 -7.721 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.560 1.546 -7.793 1.00 0.00 C ATOM 660 CZ PHE A 48 6.420 0.284 -7.305 1.00 0.00 C ATOM 0 H PHE A 48 5.154 3.073 -11.656 1.00 0.00 H new ATOM 0 HA PHE A 48 4.041 0.334 -11.714 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.568 2.900 -10.105 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.589 1.460 -9.904 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.631 -0.611 -8.997 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.737 3.052 -9.124 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.275 -1.497 -7.333 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.381 2.165 -7.463 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.130 -0.099 -6.587 1.00 0.00 H new ATOM 670 N ASP A 49 1.946 0.778 -12.904 1.00 0.00 N ATOM 671 CA ASP A 49 0.781 0.997 -13.746 1.00 0.00 C ATOM 672 C ASP A 49 -0.466 1.102 -12.867 1.00 0.00 C ATOM 673 O ASP A 49 -1.326 0.223 -12.897 1.00 0.00 O ATOM 674 CB ASP A 49 0.579 -0.166 -14.719 1.00 0.00 C ATOM 675 CG ASP A 49 1.861 -0.892 -15.135 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.371 -1.668 -14.298 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.301 -0.653 -16.279 1.00 0.00 O ATOM 0 H ASP A 49 2.124 -0.198 -12.668 1.00 0.00 H new ATOM 0 HA ASP A 49 0.940 1.916 -14.311 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.098 -0.888 -14.263 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.086 0.211 -15.615 1.00 0.00 H new ATOM 682 N PHE A 50 -0.525 2.184 -12.105 1.00 0.00 N ATOM 683 CA PHE A 50 -1.653 2.414 -11.219 1.00 0.00 C ATOM 684 C PHE A 50 -2.881 2.882 -12.004 1.00 0.00 C ATOM 685 O PHE A 50 -2.930 4.023 -12.463 1.00 0.00 O ATOM 686 CB PHE A 50 -1.238 3.515 -10.242 1.00 0.00 C ATOM 687 CG PHE A 50 -0.179 3.079 -9.227 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.194 1.773 -9.151 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.391 3.998 -8.402 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.177 1.369 -8.209 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.375 3.594 -7.461 1.00 0.00 C ATOM 692 CZ PHE A 50 1.746 2.287 -7.384 1.00 0.00 C ATOM 0 H PHE A 50 0.190 2.911 -12.083 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.915 1.490 -10.703 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.856 4.364 -10.808 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.121 3.862 -9.705 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.257 1.043 -9.807 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.095 5.035 -8.463 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.472 0.332 -8.148 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.829 4.324 -6.807 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.493 1.979 -6.667 1.00 0.00 H new ATOM 702 N SER A 51 -3.841 1.979 -12.134 1.00 0.00 N ATOM 703 CA SER A 51 -5.064 2.285 -12.856 1.00 0.00 C ATOM 704 C SER A 51 -5.975 3.159 -11.994 1.00 0.00 C ATOM 705 O SER A 51 -7.194 3.152 -12.165 1.00 0.00 O ATOM 706 CB SER A 51 -5.793 1.005 -13.272 1.00 0.00 C ATOM 707 OG SER A 51 -6.235 0.253 -12.144 1.00 0.00 O ATOM 0 H SER A 51 -3.797 1.035 -11.751 1.00 0.00 H new ATOM 0 HA SER A 51 -4.800 2.830 -13.762 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.650 1.262 -13.895 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.129 0.391 -13.880 1.00 0.00 H new ATOM 0 HG SER A 51 -6.697 -0.555 -12.450 1.00 0.00 H new ATOM 713 N VAL A 52 -5.351 3.892 -11.083 1.00 0.00 N ATOM 714 CA VAL A 52 -6.091 4.771 -10.193 1.00 0.00 C ATOM 715 C VAL A 52 -5.533 6.190 -10.306 1.00 0.00 C ATOM 716 O VAL A 52 -4.383 6.380 -10.699 1.00 0.00 O ATOM 717 CB VAL A 52 -6.050 4.223 -8.765 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.539 2.774 -8.719 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.646 4.347 -8.170 1.00 0.00 C ATOM 0 H VAL A 52 -4.341 3.895 -10.942 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.141 4.812 -10.481 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.726 4.824 -8.157 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.500 2.409 -7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.565 2.725 -9.083 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.901 2.154 -9.349 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.645 3.950 -7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.941 3.783 -8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.351 5.396 -8.150 1.00 0.00 H new ATOM 729 N SER A 53 -6.374 7.152 -9.953 1.00 0.00 N ATOM 730 CA SER A 53 -5.980 8.549 -10.010 1.00 0.00 C ATOM 731 C SER A 53 -5.316 8.959 -8.693 1.00 0.00 C ATOM 732 O SER A 53 -5.659 8.440 -7.632 1.00 0.00 O ATOM 733 CB SER A 53 -7.182 9.450 -10.300 1.00 0.00 C ATOM 734 OG SER A 53 -6.785 10.732 -10.780 1.00 0.00 O ATOM 0 H SER A 53 -7.327 6.991 -9.626 1.00 0.00 H new ATOM 0 HA SER A 53 -5.265 8.669 -10.824 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.825 8.970 -11.038 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.773 9.570 -9.392 1.00 0.00 H new ATOM 0 HG SER A 53 -7.581 11.277 -10.955 1.00 0.00 H new ATOM 740 N SER A 54 -4.375 9.887 -8.805 1.00 0.00 N ATOM 741 CA SER A 54 -3.660 10.372 -7.637 1.00 0.00 C ATOM 742 C SER A 54 -4.573 11.270 -6.801 1.00 0.00 C ATOM 743 O SER A 54 -5.683 11.595 -7.219 1.00 0.00 O ATOM 744 CB SER A 54 -2.395 11.129 -8.042 1.00 0.00 C ATOM 745 OG SER A 54 -2.617 12.534 -8.128 1.00 0.00 O ATOM 0 H SER A 54 -4.092 10.315 -9.687 1.00 0.00 H new ATOM 0 HA SER A 54 -3.360 9.513 -7.037 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.606 10.931 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.043 10.758 -9.005 1.00 0.00 H new ATOM 0 HG SER A 54 -1.785 12.981 -8.388 1.00 0.00 H new ATOM 751 N PRO A 55 -4.057 11.658 -5.604 1.00 0.00 N ATOM 752 CA PRO A 55 -2.734 11.229 -5.185 1.00 0.00 C ATOM 753 C PRO A 55 -2.747 9.764 -4.744 1.00 0.00 C ATOM 754 O PRO A 55 -3.795 9.228 -4.389 1.00 0.00 O ATOM 755 CB PRO A 55 -2.347 12.183 -4.065 1.00 0.00 C ATOM 756 CG PRO A 55 -3.646 12.810 -3.586 1.00 0.00 C ATOM 757 CD PRO A 55 -4.718 12.512 -4.620 1.00 0.00 C ATOM 0 HA PRO A 55 -2.004 11.268 -5.993 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.847 11.652 -3.255 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.654 12.945 -4.422 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.930 12.405 -2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.526 13.886 -3.460 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.573 12.008 -4.170 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.092 13.428 -5.078 1.00 0.00 H new ATOM 765 N TYR A 56 -1.569 9.158 -4.781 1.00 0.00 N ATOM 766 CA TYR A 56 -1.432 7.764 -4.391 1.00 0.00 C ATOM 767 C TYR A 56 -0.920 7.647 -2.954 1.00 0.00 C ATOM 768 O TYR A 56 0.068 8.282 -2.589 1.00 0.00 O ATOM 769 CB TYR A 56 -0.395 7.161 -5.341 1.00 0.00 C ATOM 770 CG TYR A 56 -0.850 7.099 -6.800 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.176 6.864 -7.100 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.067 7.277 -7.816 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.604 6.805 -8.474 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.361 7.219 -9.190 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.675 6.985 -9.451 1.00 0.00 C ATOM 776 OH TYR A 56 -2.079 6.930 -10.748 1.00 0.00 O ATOM 0 H TYR A 56 -0.701 9.606 -5.075 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.393 7.253 -4.444 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.522 7.748 -5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.151 6.154 -5.004 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.893 6.724 -6.305 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.105 7.460 -7.581 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.639 6.622 -8.723 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.346 7.358 -9.995 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.814 6.287 -10.835 1.00 0.00 H new ATOM 786 N TYR A 57 -1.616 6.829 -2.177 1.00 0.00 N ATOM 787 CA TYR A 57 -1.244 6.620 -0.789 1.00 0.00 C ATOM 788 C TYR A 57 -0.693 5.208 -0.576 1.00 0.00 C ATOM 789 O TYR A 57 -1.379 4.222 -0.841 1.00 0.00 O ATOM 790 CB TYR A 57 -2.532 6.778 0.022 1.00 0.00 C ATOM 791 CG TYR A 57 -3.244 8.116 -0.197 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.572 9.165 -0.791 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.556 8.272 0.200 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.242 10.423 -0.996 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.225 9.529 -0.005 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.535 10.544 -0.593 1.00 0.00 C ATOM 797 OH TYR A 57 -5.168 11.732 -0.787 1.00 0.00 O ATOM 0 H TYR A 57 -2.435 6.304 -2.483 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.471 7.327 -0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.214 5.968 -0.237 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.298 6.671 1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.545 9.042 -1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.081 7.450 0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.729 11.252 -1.460 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.252 9.664 0.301 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.790 12.406 -0.184 1.00 0.00 H new ATOM 807 N GLU A 58 0.542 5.155 -0.098 1.00 0.00 N ATOM 808 CA GLU A 58 1.193 3.881 0.153 1.00 0.00 C ATOM 809 C GLU A 58 0.897 3.405 1.577 1.00 0.00 C ATOM 810 O GLU A 58 1.022 4.171 2.531 1.00 0.00 O ATOM 811 CB GLU A 58 2.701 3.979 -0.088 1.00 0.00 C ATOM 812 CG GLU A 58 3.324 5.078 0.775 1.00 0.00 C ATOM 813 CD GLU A 58 4.851 4.966 0.787 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.358 4.227 1.658 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.475 5.622 -0.075 1.00 0.00 O ATOM 0 H GLU A 58 1.109 5.974 0.122 1.00 0.00 H new ATOM 0 HA GLU A 58 0.792 3.147 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.172 3.023 0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.892 4.186 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.030 6.056 0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.942 5.006 1.793 1.00 0.00 H new ATOM 822 N TRP A 59 0.507 2.143 1.674 1.00 0.00 N ATOM 823 CA TRP A 59 0.190 1.555 2.965 1.00 0.00 C ATOM 824 C TRP A 59 0.562 0.071 2.913 1.00 0.00 C ATOM 825 O TRP A 59 0.511 -0.548 1.851 1.00 0.00 O ATOM 826 CB TRP A 59 -1.276 1.792 3.330 1.00 0.00 C ATOM 827 CG TRP A 59 -1.780 0.918 4.481 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.452 -0.238 4.406 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.623 1.180 5.892 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.739 -0.740 5.660 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.219 0.152 6.592 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.999 2.252 6.554 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.249 0.092 7.991 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.037 2.178 7.952 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.633 1.149 8.671 1.00 0.00 C ATOM 0 H TRP A 59 0.403 1.511 0.880 1.00 0.00 H new ATOM 0 HA TRP A 59 0.767 2.031 3.758 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.408 2.840 3.598 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.893 1.608 2.451 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.734 -0.718 3.480 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.240 -1.605 5.865 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.528 3.068 6.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.721 -0.725 8.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.571 2.976 8.510 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.621 1.165 9.751 1.00 0.00 H new ATOM 846 N PRO A 60 0.936 -0.470 4.104 1.00 0.00 N ATOM 847 CA PRO A 60 1.314 -1.869 4.203 1.00 0.00 C ATOM 848 C PRO A 60 0.085 -2.777 4.138 1.00 0.00 C ATOM 849 O PRO A 60 -0.998 -2.393 4.577 1.00 0.00 O ATOM 850 CB PRO A 60 2.065 -1.979 5.520 1.00 0.00 C ATOM 851 CG PRO A 60 1.679 -0.750 6.326 1.00 0.00 C ATOM 852 CD PRO A 60 1.006 0.234 5.381 1.00 0.00 C ATOM 0 HA PRO A 60 1.940 -2.195 3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.794 -2.893 6.048 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.142 -2.014 5.354 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.004 -1.022 7.138 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.561 -0.300 6.782 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.013 0.509 5.737 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.580 1.156 5.294 1.00 0.00 H new ATOM 860 N ILE A 61 0.294 -3.963 3.588 1.00 0.00 N ATOM 861 CA ILE A 61 -0.784 -4.929 3.459 1.00 0.00 C ATOM 862 C ILE A 61 -0.496 -6.132 4.358 1.00 0.00 C ATOM 863 O ILE A 61 0.525 -6.800 4.198 1.00 0.00 O ATOM 864 CB ILE A 61 -1.002 -5.297 1.990 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.300 -6.087 1.810 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.208 -6.044 1.427 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.830 -5.952 0.380 1.00 0.00 C ATOM 0 H ILE A 61 1.194 -4.278 3.226 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.725 -4.496 3.798 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.105 -4.375 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.125 -7.138 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.050 -5.728 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.027 -6.294 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.093 -5.412 1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.368 -6.960 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.753 -6.523 0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.027 -4.902 0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.088 -6.335 -0.321 1.00 0.00 H new ATOM 879 N LEU A 62 -1.412 -6.373 5.285 1.00 0.00 N ATOM 880 CA LEU A 62 -1.268 -7.484 6.210 1.00 0.00 C ATOM 881 C LEU A 62 -1.835 -8.752 5.568 1.00 0.00 C ATOM 882 O LEU A 62 -2.972 -8.759 5.098 1.00 0.00 O ATOM 883 CB LEU A 62 -1.901 -7.142 7.560 1.00 0.00 C ATOM 884 CG LEU A 62 -1.125 -6.154 8.433 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.911 -5.806 9.699 1.00 0.00 C ATOM 886 CD2 LEU A 62 0.273 -6.686 8.754 1.00 0.00 C ATOM 0 H LEU A 62 -2.257 -5.817 5.415 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.215 -7.674 6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.895 -6.734 7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.033 -8.067 8.122 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.996 -5.230 7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.337 -5.102 10.302 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.864 -5.354 9.423 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.093 -6.713 10.275 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.803 -5.964 9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.188 -7.632 9.288 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.825 -6.841 7.827 1.00 0.00 H new ATOM 898 N SER A 63 -1.018 -9.794 5.571 1.00 0.00 N ATOM 899 CA SER A 63 -1.424 -11.065 4.995 1.00 0.00 C ATOM 900 C SER A 63 -2.543 -11.686 5.833 1.00 0.00 C ATOM 901 O SER A 63 -2.995 -12.793 5.547 1.00 0.00 O ATOM 902 CB SER A 63 -0.239 -12.028 4.895 1.00 0.00 C ATOM 903 OG SER A 63 -0.133 -12.864 6.044 1.00 0.00 O ATOM 0 H SER A 63 -0.076 -9.785 5.963 1.00 0.00 H new ATOM 0 HA SER A 63 -1.794 -10.881 3.986 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.349 -12.647 4.005 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.682 -11.458 4.775 1.00 0.00 H new ATOM 0 HG SER A 63 0.634 -13.465 5.941 1.00 0.00 H new ATOM 909 N SER A 64 -2.957 -10.945 6.850 1.00 0.00 N ATOM 910 CA SER A 64 -4.014 -11.409 7.732 1.00 0.00 C ATOM 911 C SER A 64 -5.298 -10.619 7.470 1.00 0.00 C ATOM 912 O SER A 64 -6.367 -10.985 7.957 1.00 0.00 O ATOM 913 CB SER A 64 -3.604 -11.281 9.200 1.00 0.00 C ATOM 914 OG SER A 64 -2.961 -12.459 9.680 1.00 0.00 O ATOM 0 H SER A 64 -2.580 -10.026 7.083 1.00 0.00 H new ATOM 0 HA SER A 64 -4.194 -12.464 7.524 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.934 -10.429 9.316 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.487 -11.077 9.806 1.00 0.00 H new ATOM 0 HG SER A 64 -2.713 -12.336 10.620 1.00 0.00 H new ATOM 920 N GLY A 65 -5.152 -9.551 6.699 1.00 0.00 N ATOM 921 CA GLY A 65 -6.287 -8.708 6.366 1.00 0.00 C ATOM 922 C GLY A 65 -6.641 -7.780 7.530 1.00 0.00 C ATOM 923 O GLY A 65 -7.816 -7.579 7.833 1.00 0.00 O ATOM 0 H GLY A 65 -4.265 -9.251 6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.057 -8.115 5.481 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.147 -9.331 6.118 1.00 0.00 H new ATOM 927 N ASP A 66 -5.602 -7.240 8.151 1.00 0.00 N ATOM 928 CA ASP A 66 -5.790 -6.338 9.275 1.00 0.00 C ATOM 929 C ASP A 66 -5.036 -5.034 9.009 1.00 0.00 C ATOM 930 O ASP A 66 -4.490 -4.839 7.925 1.00 0.00 O ATOM 931 CB ASP A 66 -5.239 -6.947 10.567 1.00 0.00 C ATOM 932 CG ASP A 66 -6.071 -8.093 11.148 1.00 0.00 C ATOM 933 OD1 ASP A 66 -5.878 -9.232 10.672 1.00 0.00 O ATOM 934 OD2 ASP A 66 -6.881 -7.802 12.054 1.00 0.00 O ATOM 0 H ASP A 66 -4.629 -7.410 7.897 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.859 -6.157 9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.229 -7.311 10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.159 -6.160 11.317 1.00 0.00 H new ATOM 939 N VAL A 67 -5.030 -4.175 10.018 1.00 0.00 N ATOM 940 CA VAL A 67 -4.352 -2.894 9.905 1.00 0.00 C ATOM 941 C VAL A 67 -2.953 -3.008 10.513 1.00 0.00 C ATOM 942 O VAL A 67 -2.807 -3.363 11.683 1.00 0.00 O ATOM 943 CB VAL A 67 -5.197 -1.796 10.552 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.415 -0.483 10.642 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.513 -1.600 9.796 1.00 0.00 C ATOM 0 H VAL A 67 -5.483 -4.340 10.917 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.230 -2.617 8.858 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.438 -2.113 11.567 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.039 0.281 11.106 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.519 -0.634 11.243 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.130 -0.160 9.641 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.095 -0.814 10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.302 -1.316 8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.081 -2.530 9.807 1.00 0.00 H new ATOM 955 N TYR A 68 -1.958 -2.701 9.694 1.00 0.00 N ATOM 956 CA TYR A 68 -0.576 -2.764 10.136 1.00 0.00 C ATOM 957 C TYR A 68 -0.273 -1.658 11.149 1.00 0.00 C ATOM 958 O TYR A 68 -1.066 -0.733 11.318 1.00 0.00 O ATOM 959 CB TYR A 68 0.278 -2.542 8.886 1.00 0.00 C ATOM 960 CG TYR A 68 1.784 -2.619 9.140 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.356 -3.809 9.543 1.00 0.00 C ATOM 962 CD2 TYR A 68 2.572 -1.499 8.966 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.775 -3.882 9.782 1.00 0.00 C ATOM 964 CE2 TYR A 68 3.990 -1.572 9.204 1.00 0.00 C ATOM 965 CZ TYR A 68 4.522 -2.760 9.600 1.00 0.00 C ATOM 966 OH TYR A 68 5.862 -2.828 9.826 1.00 0.00 O ATOM 0 H TYR A 68 -2.082 -2.407 8.725 1.00 0.00 H new ATOM 0 HA TYR A 68 -0.371 -3.720 10.618 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.008 -3.286 8.137 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.040 -1.565 8.465 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.740 -4.685 9.679 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.125 -0.568 8.651 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.235 -4.806 10.098 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.617 -0.703 9.071 1.00 0.00 H new ATOM 0 HH TYR A 68 6.044 -3.499 10.517 1.00 0.00 H new ATOM 976 N SER A 69 0.875 -1.791 11.796 1.00 0.00 N ATOM 977 CA SER A 69 1.293 -0.814 12.788 1.00 0.00 C ATOM 978 C SER A 69 2.783 -0.980 13.091 1.00 0.00 C ATOM 979 O SER A 69 3.153 -1.446 14.168 1.00 0.00 O ATOM 980 CB SER A 69 0.472 -0.948 14.072 1.00 0.00 C ATOM 981 OG SER A 69 0.848 -2.094 14.830 1.00 0.00 O ATOM 0 H SER A 69 1.529 -2.560 11.653 1.00 0.00 H new ATOM 0 HA SER A 69 1.121 0.182 12.381 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.602 -0.053 14.680 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.587 -1.011 13.820 1.00 0.00 H new ATOM 0 HG SER A 69 1.808 -2.057 15.024 1.00 0.00 H new ATOM 987 N GLY A 70 3.598 -0.590 12.123 1.00 0.00 N ATOM 988 CA GLY A 70 5.040 -0.689 12.272 1.00 0.00 C ATOM 989 C GLY A 70 5.760 -0.056 11.080 1.00 0.00 C ATOM 990 O GLY A 70 5.212 0.820 10.412 1.00 0.00 O ATOM 0 H GLY A 70 3.287 -0.204 11.231 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.349 -0.194 13.193 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.329 -1.736 12.361 1.00 0.00 H new ATOM 994 N GLY A 71 6.978 -0.525 10.847 1.00 0.00 N ATOM 995 CA GLY A 71 7.778 -0.016 9.747 1.00 0.00 C ATOM 996 C GLY A 71 8.144 -1.136 8.772 1.00 0.00 C ATOM 997 O GLY A 71 8.429 -0.878 7.602 1.00 0.00 O ATOM 0 H GLY A 71 7.429 -1.252 11.402 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.226 0.763 9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.686 0.444 10.136 1.00 0.00 H new ATOM 1001 N SER A 72 8.123 -2.357 9.286 1.00 0.00 N ATOM 1002 CA SER A 72 8.448 -3.518 8.475 1.00 0.00 C ATOM 1003 C SER A 72 7.204 -4.386 8.280 1.00 0.00 C ATOM 1004 O SER A 72 7.117 -5.484 8.826 1.00 0.00 O ATOM 1005 CB SER A 72 9.573 -4.337 9.111 1.00 0.00 C ATOM 1006 OG SER A 72 9.369 -4.527 10.509 1.00 0.00 O ATOM 0 H SER A 72 7.886 -2.568 10.255 1.00 0.00 H new ATOM 0 HA SER A 72 8.795 -3.169 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.638 -5.307 8.619 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.525 -3.832 8.949 1.00 0.00 H new ATOM 0 HG SER A 72 8.497 -4.949 10.658 1.00 0.00 H new ATOM 1012 N PRO A 73 6.246 -3.845 7.479 1.00 0.00 N ATOM 1013 CA PRO A 73 5.010 -4.559 7.206 1.00 0.00 C ATOM 1014 C PRO A 73 5.244 -5.701 6.215 1.00 0.00 C ATOM 1015 O PRO A 73 4.551 -5.801 5.202 1.00 0.00 O ATOM 1016 CB PRO A 73 4.054 -3.501 6.678 1.00 0.00 C ATOM 1017 CG PRO A 73 4.924 -2.335 6.239 1.00 0.00 C ATOM 1018 CD PRO A 73 6.314 -2.547 6.816 1.00 0.00 C ATOM 0 HA PRO A 73 4.599 -5.043 8.092 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.467 -3.886 5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.348 -3.193 7.449 1.00 0.00 H new ATOM 0 HG2 PRO A 73 4.967 -2.279 5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.505 -1.392 6.590 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.073 -2.541 6.033 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.576 -1.756 7.519 1.00 0.00 H new ATOM 1026 N GLY A 74 6.221 -6.533 6.540 1.00 0.00 N ATOM 1027 CA GLY A 74 6.555 -7.664 5.691 1.00 0.00 C ATOM 1028 C GLY A 74 7.022 -7.195 4.311 1.00 0.00 C ATOM 1029 O GLY A 74 7.306 -8.013 3.437 1.00 0.00 O ATOM 0 H GLY A 74 6.793 -6.447 7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.339 -8.258 6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.685 -8.312 5.584 1.00 0.00 H new ATOM 1033 N ALA A 75 7.087 -5.881 4.159 1.00 0.00 N ATOM 1034 CA ALA A 75 7.514 -5.293 2.901 1.00 0.00 C ATOM 1035 C ALA A 75 6.286 -4.995 2.038 1.00 0.00 C ATOM 1036 O ALA A 75 6.289 -4.048 1.254 1.00 0.00 O ATOM 1037 CB ALA A 75 8.500 -6.235 2.206 1.00 0.00 C ATOM 0 H ALA A 75 6.851 -5.206 4.887 1.00 0.00 H new ATOM 0 HA ALA A 75 8.031 -4.349 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.821 -5.794 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.368 -6.391 2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.015 -7.192 2.013 1.00 0.00 H new ATOM 1043 N ASP A 76 5.267 -5.824 2.213 1.00 0.00 N ATOM 1044 CA ASP A 76 4.034 -5.661 1.460 1.00 0.00 C ATOM 1045 C ASP A 76 3.422 -4.296 1.782 1.00 0.00 C ATOM 1046 O ASP A 76 3.364 -3.896 2.943 1.00 0.00 O ATOM 1047 CB ASP A 76 3.013 -6.737 1.835 1.00 0.00 C ATOM 1048 CG ASP A 76 3.615 -8.066 2.294 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.688 -8.419 1.759 1.00 0.00 O ATOM 1050 OD2 ASP A 76 2.989 -8.700 3.172 1.00 0.00 O ATOM 0 H ASP A 76 5.269 -6.609 2.864 1.00 0.00 H new ATOM 0 HA ASP A 76 4.273 -5.744 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.375 -6.350 2.630 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.371 -6.924 0.974 1.00 0.00 H new ATOM 1055 N ARG A 77 2.980 -3.619 0.732 1.00 0.00 N ATOM 1056 CA ARG A 77 2.373 -2.308 0.888 1.00 0.00 C ATOM 1057 C ARG A 77 1.340 -2.067 -0.215 1.00 0.00 C ATOM 1058 O ARG A 77 1.574 -2.404 -1.374 1.00 0.00 O ATOM 1059 CB ARG A 77 3.430 -1.204 0.837 1.00 0.00 C ATOM 1060 CG ARG A 77 4.676 -1.600 1.631 1.00 0.00 C ATOM 1061 CD ARG A 77 4.682 -0.937 3.010 1.00 0.00 C ATOM 1062 NE ARG A 77 6.072 -0.664 3.436 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.911 -1.598 3.905 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.504 -2.871 4.010 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.156 -1.260 4.267 1.00 0.00 N ATOM 0 H ARG A 77 3.030 -3.954 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 77 1.883 -2.282 1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.703 -1.005 -0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.016 -0.280 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.710 -2.684 1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.570 -1.309 1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.114 -0.007 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.191 -1.585 3.736 1.00 0.00 H new ATOM 0 HE ARG A 77 6.413 0.295 3.369 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.557 -3.128 3.733 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.142 -3.583 4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.466 -0.292 4.186 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.794 -1.971 4.624 1.00 0.00 H new ATOM 1079 N VAL A 78 0.219 -1.486 0.186 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.851 -1.195 -0.753 1.00 0.00 C ATOM 1081 C VAL A 78 -0.870 0.306 -1.051 1.00 0.00 C ATOM 1082 O VAL A 78 -0.930 1.123 -0.133 1.00 0.00 O ATOM 1083 CB VAL A 78 -2.183 -1.712 -0.205 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -2.181 -1.717 1.325 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -3.355 -0.892 -0.749 1.00 0.00 C ATOM 0 H VAL A 78 0.028 -1.209 1.149 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.680 -1.711 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.308 -2.741 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.139 -2.089 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.380 -2.363 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.022 -0.703 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.290 -1.280 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.237 0.151 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.374 -0.962 -1.837 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.815 0.623 -2.336 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.824 2.010 -2.765 1.00 0.00 C ATOM 1097 C VAL A 79 -2.217 2.368 -3.289 1.00 0.00 C ATOM 1098 O VAL A 79 -2.732 1.713 -4.193 1.00 0.00 O ATOM 1099 CB VAL A 79 0.280 2.246 -3.798 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.167 3.643 -4.413 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.663 2.030 -3.181 1.00 0.00 C ATOM 0 H VAL A 79 -0.764 -0.058 -3.094 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.612 2.671 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 79 0.151 1.516 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.963 3.784 -5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.800 3.747 -4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.257 4.394 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.430 2.204 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.805 2.725 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.742 1.007 -2.813 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.787 3.408 -2.696 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.110 3.860 -3.091 1.00 0.00 C ATOM 1113 C PHE A 80 -4.168 5.388 -3.161 1.00 0.00 C ATOM 1114 O PHE A 80 -3.134 6.049 -3.239 1.00 0.00 O ATOM 1115 CB PHE A 80 -5.087 3.373 -2.019 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.880 4.019 -0.648 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.766 3.732 0.077 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.809 4.880 -0.153 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.572 4.330 1.350 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.616 5.480 1.120 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.501 5.192 1.844 1.00 0.00 C ATOM 0 H PHE A 80 -2.357 3.949 -1.946 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.359 3.468 -4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.105 3.572 -2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.990 2.292 -1.918 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.028 3.048 -0.316 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.694 5.108 -0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.687 4.101 1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.354 6.164 1.513 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.353 5.648 2.812 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.388 5.904 -3.131 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.596 7.341 -3.190 1.00 0.00 C ATOM 1133 C ASN A 81 -6.624 7.748 -2.132 1.00 0.00 C ATOM 1134 O ASN A 81 -6.993 6.943 -1.279 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.132 7.765 -4.559 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.744 6.750 -5.636 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.851 6.968 -6.439 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.464 5.632 -5.611 1.00 0.00 N ATOM 0 H ASN A 81 -6.243 5.352 -3.067 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.637 7.827 -3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.217 7.859 -4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.738 8.747 -4.820 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.283 4.893 -6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.197 5.513 -4.912 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.057 8.996 -2.224 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.035 9.520 -1.287 1.00 0.00 C ATOM 1147 C GLU A 82 -9.454 9.240 -1.788 1.00 0.00 C ATOM 1148 O GLU A 82 -10.419 9.806 -1.277 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.823 11.016 -1.051 1.00 0.00 C ATOM 1150 CG GLU A 82 -9.095 11.673 -0.510 1.00 0.00 C ATOM 1151 CD GLU A 82 -8.784 13.028 0.129 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -7.969 13.763 -0.469 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -9.368 13.298 1.201 1.00 0.00 O ATOM 0 H GLU A 82 -6.748 9.660 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.901 9.013 -0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.005 11.164 -0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.530 11.497 -1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.813 11.805 -1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.562 11.018 0.226 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.534 8.368 -2.782 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.819 8.006 -3.358 1.00 0.00 C ATOM 1162 C ASN A 83 -11.224 6.618 -2.857 1.00 0.00 C ATOM 1163 O ASN A 83 -12.409 6.287 -2.827 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.742 7.954 -4.885 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.288 7.960 -5.362 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.637 8.989 -5.435 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.819 6.758 -5.681 1.00 0.00 N ATOM 0 H ASN A 83 -8.731 7.901 -3.203 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.548 8.759 -3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.244 7.057 -5.247 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.271 8.808 -5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.859 6.656 -6.011 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.419 5.937 -5.596 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.218 5.844 -2.477 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.456 4.499 -1.979 1.00 0.00 C ATOM 1176 C ASN A 84 -10.019 3.484 -3.038 1.00 0.00 C ATOM 1177 O ASN A 84 -10.478 2.343 -3.034 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.941 4.273 -1.691 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.698 3.903 -2.968 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.730 3.256 -2.943 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.127 4.350 -4.084 1.00 0.00 N ATOM 0 H ASN A 84 -9.237 6.122 -2.504 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.888 4.375 -1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.055 3.479 -0.953 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.372 5.175 -1.257 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.555 4.156 -4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.261 4.887 -4.034 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.139 3.936 -3.918 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.635 3.082 -4.980 1.00 0.00 C ATOM 1190 C GLN A 85 -7.188 2.674 -4.693 1.00 0.00 C ATOM 1191 O GLN A 85 -6.355 3.518 -4.367 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.751 3.772 -6.340 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.211 4.085 -6.673 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.312 4.961 -7.924 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.319 4.486 -9.047 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -10.390 6.264 -7.666 1.00 0.00 N ATOM 0 H GLN A 85 -8.761 4.884 -3.918 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.246 2.180 -5.014 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.170 4.694 -6.335 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.327 3.132 -7.114 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.759 3.156 -6.830 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.679 4.593 -5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.379 6.594 -6.701 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.461 6.932 -8.433 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.934 1.381 -4.824 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.603 0.851 -4.583 1.00 0.00 C ATOM 1207 C LEU A 86 -4.802 0.884 -5.886 1.00 0.00 C ATOM 1208 O LEU A 86 -5.312 0.512 -6.942 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.685 -0.537 -3.947 1.00 0.00 C ATOM 1210 CG LEU A 86 -4.425 -1.398 -4.047 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.255 -1.957 -5.462 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -3.190 -0.619 -3.588 1.00 0.00 C ATOM 0 H LEU A 86 -7.628 0.684 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.070 1.474 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.936 -0.417 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.509 -1.079 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.538 -2.248 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.352 -2.566 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.119 -2.571 -5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.173 -1.133 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.308 -1.254 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.061 0.262 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.320 -0.309 -2.551 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.561 1.333 -5.769 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.684 1.418 -6.925 1.00 0.00 C ATOM 1226 C ALA A 87 -2.274 0.009 -7.355 1.00 0.00 C ATOM 1227 O ALA A 87 -2.273 -0.307 -8.544 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.480 2.299 -6.588 1.00 0.00 C ATOM 0 H ALA A 87 -3.142 1.642 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.201 1.880 -7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.822 2.363 -7.455 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.824 3.298 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.935 1.865 -5.750 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.935 -0.802 -6.363 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.524 -2.171 -6.623 1.00 0.00 C ATOM 1236 C GLY A 88 -1.081 -2.866 -5.334 1.00 0.00 C ATOM 1237 O GLY A 88 -1.798 -2.840 -4.334 1.00 0.00 O ATOM 0 H GLY A 88 -1.937 -0.537 -5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.350 -2.723 -7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.706 -2.178 -7.344 1.00 0.00 H new ATOM 1241 N VAL A 89 0.095 -3.470 -5.398 1.00 0.00 N ATOM 1242 CA VAL A 89 0.642 -4.170 -4.248 1.00 0.00 C ATOM 1243 C VAL A 89 2.162 -4.265 -4.389 1.00 0.00 C ATOM 1244 O VAL A 89 2.675 -5.208 -4.991 1.00 0.00 O ATOM 1245 CB VAL A 89 -0.031 -5.536 -4.098 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.700 -6.398 -3.068 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.510 -5.381 -3.734 1.00 0.00 C ATOM 0 H VAL A 89 0.686 -3.490 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 89 0.435 -3.618 -3.331 1.00 0.00 H new ATOM 0 HB VAL A 89 0.026 -6.045 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.201 -7.363 -2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.731 -6.550 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.690 -5.896 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.965 -6.366 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.598 -4.842 -2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.021 -4.824 -4.519 1.00 0.00 H new ATOM 1257 N ILE A 90 2.840 -3.277 -3.823 1.00 0.00 N ATOM 1258 CA ILE A 90 4.291 -3.239 -3.878 1.00 0.00 C ATOM 1259 C ILE A 90 4.864 -4.013 -2.690 1.00 0.00 C ATOM 1260 O ILE A 90 4.116 -4.496 -1.841 1.00 0.00 O ATOM 1261 CB ILE A 90 4.785 -1.792 -3.965 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.675 -1.094 -2.608 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.048 -1.027 -5.065 1.00 0.00 C ATOM 1264 CD1 ILE A 90 3.908 0.224 -2.731 1.00 0.00 C ATOM 0 H ILE A 90 2.411 -2.497 -3.324 1.00 0.00 H new ATOM 0 HA ILE A 90 4.651 -3.731 -4.782 1.00 0.00 H new ATOM 0 HB ILE A 90 5.841 -1.806 -4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.169 -1.749 -1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.672 -0.903 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.418 -0.002 -5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.221 -1.514 -6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.980 -1.019 -4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.844 0.700 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.430 0.885 -3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.903 0.027 -3.105 1.00 0.00 H new ATOM 1276 N THR A 91 6.185 -4.109 -2.667 1.00 0.00 N ATOM 1277 CA THR A 91 6.866 -4.817 -1.597 1.00 0.00 C ATOM 1278 C THR A 91 8.346 -4.428 -1.558 1.00 0.00 C ATOM 1279 O THR A 91 8.950 -4.168 -2.596 1.00 0.00 O ATOM 1280 CB THR A 91 6.637 -6.315 -1.801 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.796 -6.924 -1.240 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.681 -6.719 -3.276 1.00 0.00 C ATOM 0 H THR A 91 6.802 -3.708 -3.373 1.00 0.00 H new ATOM 0 HA THR A 91 6.464 -4.542 -0.622 1.00 0.00 H new ATOM 0 HB THR A 91 5.673 -6.595 -1.377 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.729 -7.898 -1.329 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.513 -7.792 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.905 -6.184 -3.823 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.657 -6.469 -3.693 1.00 0.00 H new ATOM 1290 N HIS A 92 8.885 -4.402 -0.348 1.00 0.00 N ATOM 1291 CA HIS A 92 10.282 -4.051 -0.159 1.00 0.00 C ATOM 1292 C HIS A 92 11.171 -5.196 -0.648 1.00 0.00 C ATOM 1293 O HIS A 92 12.376 -5.200 -0.404 1.00 0.00 O ATOM 1294 CB HIS A 92 10.555 -3.669 1.297 1.00 0.00 C ATOM 1295 CG HIS A 92 10.148 -2.258 1.649 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.020 -1.346 2.217 1.00 0.00 N ATOM 1297 CD2 HIS A 92 8.955 -1.613 1.507 1.00 0.00 C ATOM 1298 CE1 HIS A 92 10.370 -0.207 2.405 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.090 -0.375 1.964 1.00 0.00 N ATOM 0 H HIS A 92 8.379 -4.618 0.511 1.00 0.00 H new ATOM 0 HA HIS A 92 10.522 -3.171 -0.756 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.024 -4.363 1.949 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.619 -3.791 1.500 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.053 -2.038 1.093 1.00 0.00 H new ATOM 0 HE1 HIS A 92 10.781 0.696 2.832 1.00 0.00 H new ATOM 0 HE2 HIS A 92 8.357 0.334 1.983 1.00 0.00 H new ATOM 1308 N THR A 93 10.541 -6.141 -1.331 1.00 0.00 N ATOM 1309 CA THR A 93 11.259 -7.290 -1.857 1.00 0.00 C ATOM 1310 C THR A 93 12.510 -6.836 -2.612 1.00 0.00 C ATOM 1311 O THR A 93 12.476 -6.663 -3.829 1.00 0.00 O ATOM 1312 CB THR A 93 10.289 -8.099 -2.720 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.729 -9.048 -1.815 1.00 0.00 O ATOM 1314 CG2 THR A 93 11.008 -8.957 -3.762 1.00 0.00 C ATOM 0 H THR A 93 9.541 -6.134 -1.532 1.00 0.00 H new ATOM 0 HA THR A 93 11.617 -7.934 -1.054 1.00 0.00 H new ATOM 0 HB THR A 93 9.598 -7.422 -3.222 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.086 -9.614 -2.291 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.274 -9.510 -4.347 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.590 -8.315 -4.423 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.674 -9.658 -3.259 1.00 0.00 H new ATOM 1322 N GLY A 94 13.585 -6.657 -1.858 1.00 0.00 N ATOM 1323 CA GLY A 94 14.845 -6.227 -2.440 1.00 0.00 C ATOM 1324 C GLY A 94 14.608 -5.326 -3.655 1.00 0.00 C ATOM 1325 O GLY A 94 15.339 -5.404 -4.642 1.00 0.00 O ATOM 0 H GLY A 94 13.609 -6.802 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.430 -5.690 -1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.429 -7.098 -2.737 1.00 0.00 H new ATOM 1329 N ALA A 95 13.584 -4.493 -3.543 1.00 0.00 N ATOM 1330 CA ALA A 95 13.242 -3.579 -4.619 1.00 0.00 C ATOM 1331 C ALA A 95 14.494 -2.809 -5.046 1.00 0.00 C ATOM 1332 O ALA A 95 14.677 -2.519 -6.227 1.00 0.00 O ATOM 1333 CB ALA A 95 12.115 -2.651 -4.164 1.00 0.00 C ATOM 0 H ALA A 95 12.980 -4.432 -2.723 1.00 0.00 H new ATOM 0 HA ALA A 95 12.880 -4.129 -5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 95 11.859 -1.966 -4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.239 -3.244 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.442 -2.081 -3.295 1.00 0.00 H new ATOM 1339 N SER A 96 15.325 -2.500 -4.060 1.00 0.00 N ATOM 1340 CA SER A 96 16.554 -1.770 -4.319 1.00 0.00 C ATOM 1341 C SER A 96 16.758 -0.694 -3.250 1.00 0.00 C ATOM 1342 O SER A 96 17.182 0.419 -3.558 1.00 0.00 O ATOM 1343 CB SER A 96 16.536 -1.137 -5.712 1.00 0.00 C ATOM 1344 OG SER A 96 17.576 -0.176 -5.875 1.00 0.00 O ATOM 0 H SER A 96 15.171 -2.742 -3.081 1.00 0.00 H new ATOM 0 HA SER A 96 17.385 -2.474 -4.281 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.642 -1.917 -6.466 1.00 0.00 H new ATOM 0 HB3 SER A 96 15.571 -0.659 -5.881 1.00 0.00 H new ATOM 0 HG SER A 96 17.481 0.527 -5.199 1.00 0.00 H new ATOM 1350 N GLY A 97 16.445 -1.063 -2.016 1.00 0.00 N ATOM 1351 CA GLY A 97 16.588 -0.143 -0.901 1.00 0.00 C ATOM 1352 C GLY A 97 15.231 0.157 -0.261 1.00 0.00 C ATOM 1353 O GLY A 97 14.565 -0.746 0.243 1.00 0.00 O ATOM 0 H GLY A 97 16.093 -1.987 -1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.259 -0.570 -0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.044 0.785 -1.246 1.00 0.00 H new ATOM 1357 N ASN A 98 14.862 1.429 -0.301 1.00 0.00 N ATOM 1358 CA ASN A 98 13.597 1.860 0.270 1.00 0.00 C ATOM 1359 C ASN A 98 12.535 1.901 -0.830 1.00 0.00 C ATOM 1360 O ASN A 98 11.353 2.093 -0.549 1.00 0.00 O ATOM 1361 CB ASN A 98 13.713 3.264 0.868 1.00 0.00 C ATOM 1362 CG ASN A 98 12.349 3.771 1.343 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.053 4.953 1.313 1.00 0.00 O ATOM 1364 ND2 ASN A 98 11.539 2.812 1.782 1.00 0.00 N ATOM 0 H ASN A 98 15.417 2.175 -0.720 1.00 0.00 H new ATOM 0 HA ASN A 98 13.323 1.155 1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 98 14.412 3.250 1.705 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.120 3.948 0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.606 3.048 2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.850 1.841 1.780 1.00 0.00 H new ATOM 1371 N ASN A 99 12.994 1.716 -2.059 1.00 0.00 N ATOM 1372 CA ASN A 99 12.097 1.730 -3.202 1.00 0.00 C ATOM 1373 C ASN A 99 11.074 0.601 -3.056 1.00 0.00 C ATOM 1374 O ASN A 99 11.219 -0.264 -2.195 1.00 0.00 O ATOM 1375 CB ASN A 99 12.864 1.506 -4.507 1.00 0.00 C ATOM 1376 CG ASN A 99 13.358 0.062 -4.612 1.00 0.00 C ATOM 1377 OD1 ASN A 99 13.466 -0.508 -5.684 1.00 0.00 O ATOM 1378 ND2 ASN A 99 13.651 -0.495 -3.440 1.00 0.00 N ATOM 0 H ASN A 99 13.975 1.556 -2.288 1.00 0.00 H new ATOM 0 HA ASN A 99 11.607 2.703 -3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.220 1.736 -5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.712 2.189 -4.556 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.989 -1.457 -3.403 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.538 0.040 -2.579 1.00 0.00 H new ATOM 1385 N PHE A 100 10.063 0.649 -3.911 1.00 0.00 N ATOM 1386 CA PHE A 100 9.016 -0.359 -3.888 1.00 0.00 C ATOM 1387 C PHE A 100 8.927 -1.090 -5.229 1.00 0.00 C ATOM 1388 O PHE A 100 9.585 -0.703 -6.195 1.00 0.00 O ATOM 1389 CB PHE A 100 7.697 0.372 -3.631 1.00 0.00 C ATOM 1390 CG PHE A 100 7.469 0.750 -2.166 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.370 -0.222 -1.220 1.00 0.00 C ATOM 1392 CD2 PHE A 100 7.369 2.059 -1.809 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.159 0.129 0.139 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.158 2.409 -0.449 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.058 1.437 0.496 1.00 0.00 C ATOM 0 H PHE A 100 9.946 1.369 -4.624 1.00 0.00 H new ATOM 0 HA PHE A 100 9.229 -1.098 -3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 100 7.671 1.278 -4.237 1.00 0.00 H new ATOM 0 HB3 PHE A 100 6.873 -0.259 -3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.452 -1.261 -1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 100 7.450 2.831 -2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.079 -0.643 0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.077 3.448 -0.165 1.00 0.00 H new ATOM 0 HZ PHE A 100 6.898 1.704 1.530 1.00 0.00 H new ATOM 1405 N VAL A 101 8.111 -2.132 -5.247 1.00 0.00 N ATOM 1406 CA VAL A 101 7.929 -2.919 -6.454 1.00 0.00 C ATOM 1407 C VAL A 101 6.678 -3.790 -6.305 1.00 0.00 C ATOM 1408 O VAL A 101 6.477 -4.422 -5.270 1.00 0.00 O ATOM 1409 CB VAL A 101 9.191 -3.733 -6.744 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.362 -2.816 -7.106 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.546 -4.636 -5.561 1.00 0.00 C ATOM 0 H VAL A 101 7.568 -2.450 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 101 7.773 -2.268 -7.314 1.00 0.00 H new ATOM 0 HB VAL A 101 8.988 -4.373 -7.603 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.247 -3.419 -7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.109 -2.235 -7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.565 -2.140 -6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.447 -5.203 -5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.721 -4.024 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.723 -5.325 -5.369 1.00 0.00 H new ATOM 1421 N GLU A 102 5.871 -3.794 -7.356 1.00 0.00 N ATOM 1422 CA GLU A 102 4.646 -4.576 -7.356 1.00 0.00 C ATOM 1423 C GLU A 102 4.935 -6.014 -6.920 1.00 0.00 C ATOM 1424 O GLU A 102 5.864 -6.645 -7.423 1.00 0.00 O ATOM 1425 CB GLU A 102 3.976 -4.544 -8.731 1.00 0.00 C ATOM 1426 CG GLU A 102 4.384 -3.292 -9.512 1.00 0.00 C ATOM 1427 CD GLU A 102 3.389 -3.000 -10.638 1.00 0.00 C ATOM 1428 OE1 GLU A 102 3.427 -3.750 -11.637 1.00 0.00 O ATOM 1429 OE2 GLU A 102 2.615 -2.033 -10.473 1.00 0.00 O ATOM 0 H GLU A 102 6.041 -3.268 -8.213 1.00 0.00 H new ATOM 0 HA GLU A 102 3.954 -4.132 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.253 -5.435 -9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.893 -4.566 -8.612 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.435 -2.438 -8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.382 -3.428 -9.930 1.00 0.00 H new ATOM 1436 N CYS A 103 4.121 -6.490 -5.991 1.00 0.00 N ATOM 1437 CA CYS A 103 4.277 -7.843 -5.481 1.00 0.00 C ATOM 1438 C CYS A 103 4.278 -8.807 -6.669 1.00 0.00 C ATOM 1439 O CYS A 103 4.892 -9.870 -6.609 1.00 0.00 O ATOM 1440 CB CYS A 103 3.189 -8.192 -4.463 1.00 0.00 C ATOM 1441 SG CYS A 103 3.511 -7.601 -2.762 1.00 0.00 S ATOM 0 H CYS A 103 3.351 -5.964 -5.577 1.00 0.00 H new ATOM 0 HA CYS A 103 5.223 -7.927 -4.946 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.243 -7.772 -4.805 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.067 -9.275 -4.439 1.00 0.00 H new ATOM 0 HG CYS A 103 2.603 -8.072 -1.960 1.00 0.00 H new ATOM 1446 N THR A 104 3.582 -8.400 -7.721 1.00 0.00 N ATOM 1447 CA THR A 104 3.494 -9.214 -8.921 1.00 0.00 C ATOM 1448 C THR A 104 3.210 -8.336 -10.142 1.00 0.00 C ATOM 1449 O THR A 104 2.427 -8.712 -11.011 1.00 0.00 O ATOM 1450 CB THR A 104 2.432 -10.290 -8.686 1.00 0.00 C ATOM 1451 OG1 THR A 104 1.498 -9.669 -7.806 1.00 0.00 O ATOM 1452 CG2 THR A 104 2.968 -11.477 -7.884 1.00 0.00 C ATOM 0 H THR A 104 3.074 -7.517 -7.767 1.00 0.00 H new ATOM 0 HA THR A 104 4.441 -9.712 -9.131 1.00 0.00 H new ATOM 0 HB THR A 104 2.054 -10.642 -9.646 1.00 0.00 H new ATOM 0 HG1 THR A 104 0.604 -10.037 -7.966 1.00 0.00 H new ATOM 0 HG21 THR A 104 2.174 -12.211 -7.746 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.797 -11.936 -8.423 1.00 0.00 H new ATOM 0 HG23 THR A 104 3.316 -11.131 -6.911 1.00 0.00 H new