USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 783 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 62 ASN : amide:sc= 0.415 K(o=0.3,f=1) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= -0.115 USER MOD Set 2.1: A 57 ASN : amide:sc= -0.594 K(o=0.69,f=-3.3!) USER MOD Set 2.2: A 60 SER OG : rot -140:sc= 1 USER MOD Set 2.3: A 104 ASN : amide:sc= 0.284 K(o=0.69,f=-0.16!) USER MOD Set 3.1: A 36 ASN : amide:sc= 1.32 K(o=1.4,f=-4.8!) USER MOD Set 3.2: A 37 SER OG : rot 180:sc= 0.123 USER MOD Single : A 1 SER N :NH3+ -113:sc= 0.466 (180deg=0.0092) USER MOD Single : A 1 SER OG : rot 180:sc= 0.15 USER MOD Single : A 5 SER OG : rot 91:sc= 0.121 USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= 2.27 (180deg=1.72) USER MOD Single : A 9 ASN : amide:sc= -1! K(o=-1!,f=-0.28) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -170:sc= -0.625 USER MOD Single : A 15 SER OG : rot -160:sc= -2.95! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.795 K(o=0.8,f=-1.4!) USER MOD Single : A 25 THR OG1 : rot 81:sc= 0.197 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0557 USER MOD Single : A 28 ASN : amide:sc= 0.43 K(o=0.43,f=-4.8!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.661 USER MOD Single : A 41 THR OG1 : rot -149:sc= 0.446 USER MOD Single : A 42 ASN : amide:sc= -4.71! C(o=-4.7!,f=-2.5!) USER MOD Single : A 43 ASN : amide:sc= 1.26 K(o=1.3,f=-0.014) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0767 USER MOD Single : A 48 SER OG : rot 82:sc= 1.3 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0665 USER MOD Single : A 69 LYS NZ :NH3+ 136:sc= -0.951 (180deg=-2.88) USER MOD Single : A 71 SER OG : rot 153:sc= 0.973 USER MOD Single : A 75 GLN : amide:sc= 0.548 K(o=0.55,f=-0.7) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 108:sc= 0.605 USER MOD Single : A 92 LYS NZ :NH3+ 150:sc= 0.809 (180deg=-0.904!) USER MOD Single : A 93 ASN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 103 THR OG1 : rot -61:sc= -1.33 USER MOD Single : A 110 ASN : amide:sc= 0.336 X(o=0.34,f=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 116 LYS NZ :NH3+ -162:sc= 1.31 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.069 19.872 15.087 1.00 0.00 N ATOM 2 CA SER A 1 18.194 18.493 14.572 1.00 0.00 C ATOM 3 C SER A 1 18.484 17.518 15.709 1.00 0.00 C ATOM 4 O SER A 1 19.521 17.614 16.369 1.00 0.00 O ATOM 5 CB SER A 1 19.310 18.441 13.527 1.00 0.00 C ATOM 6 OG SER A 1 19.651 19.750 13.086 1.00 0.00 O ATOM 0 H1 SER A 1 17.088 20.198 14.972 1.00 0.00 H new ATOM 0 H2 SER A 1 18.324 19.890 16.095 1.00 0.00 H new ATOM 0 H3 SER A 1 18.707 20.500 14.557 1.00 0.00 H new ATOM 0 HA SER A 1 17.252 18.199 14.109 1.00 0.00 H new ATOM 0 HB2 SER A 1 20.189 17.955 13.951 1.00 0.00 H new ATOM 0 HB3 SER A 1 18.991 17.838 12.677 1.00 0.00 H new ATOM 0 HG SER A 1 20.367 19.694 12.420 1.00 0.00 H new ATOM 14 N LEU A 2 17.554 16.593 15.935 1.00 0.00 N ATOM 15 CA LEU A 2 17.679 15.585 16.983 1.00 0.00 C ATOM 16 C LEU A 2 16.469 14.659 16.948 1.00 0.00 C ATOM 17 O LEU A 2 15.337 15.101 17.165 1.00 0.00 O ATOM 18 CB LEU A 2 17.797 16.236 18.370 1.00 0.00 C ATOM 19 CG LEU A 2 18.786 15.567 19.335 1.00 0.00 C ATOM 20 CD1 LEU A 2 18.133 14.386 20.037 1.00 0.00 C ATOM 21 CD2 LEU A 2 20.044 15.121 18.602 1.00 0.00 C ATOM 0 H LEU A 2 16.691 16.522 15.395 1.00 0.00 H new ATOM 0 HA LEU A 2 18.588 15.011 16.800 1.00 0.00 H new ATOM 0 HB2 LEU A 2 18.093 17.277 18.239 1.00 0.00 H new ATOM 0 HB3 LEU A 2 16.811 16.241 18.834 1.00 0.00 H new ATOM 0 HG LEU A 2 19.073 16.302 20.087 1.00 0.00 H new ATOM 0 HD11 LEU A 2 18.850 13.925 20.717 1.00 0.00 H new ATOM 0 HD12 LEU A 2 17.268 14.732 20.602 1.00 0.00 H new ATOM 0 HD13 LEU A 2 17.813 13.654 19.296 1.00 0.00 H new ATOM 0 HD21 LEU A 2 20.729 14.650 19.308 1.00 0.00 H new ATOM 0 HD22 LEU A 2 19.777 14.406 17.823 1.00 0.00 H new ATOM 0 HD23 LEU A 2 20.528 15.987 18.150 1.00 0.00 H new ATOM 33 N PRO A 3 16.690 13.371 16.646 1.00 0.00 N ATOM 34 CA PRO A 3 15.624 12.365 16.593 1.00 0.00 C ATOM 35 C PRO A 3 15.041 12.062 17.970 1.00 0.00 C ATOM 36 O PRO A 3 15.505 11.158 18.672 1.00 0.00 O ATOM 37 CB PRO A 3 16.321 11.119 16.025 1.00 0.00 C ATOM 38 CG PRO A 3 17.607 11.615 15.458 1.00 0.00 C ATOM 39 CD PRO A 3 17.993 12.791 16.299 1.00 0.00 C ATOM 0 HA PRO A 3 14.781 12.707 15.992 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.494 10.376 16.803 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.711 10.641 15.258 1.00 0.00 H new ATOM 0 HG2 PRO A 3 18.374 10.841 15.491 1.00 0.00 H new ATOM 0 HG3 PRO A 3 17.489 11.902 14.413 1.00 0.00 H new ATOM 0 HD2 PRO A 3 18.553 12.491 17.185 1.00 0.00 H new ATOM 0 HD3 PRO A 3 18.618 13.495 15.750 1.00 0.00 H new ATOM 47 N ALA A 4 14.033 12.825 18.358 1.00 0.00 N ATOM 48 CA ALA A 4 13.346 12.609 19.619 1.00 0.00 C ATOM 49 C ALA A 4 12.103 11.754 19.405 1.00 0.00 C ATOM 50 O ALA A 4 11.690 11.523 18.267 1.00 0.00 O ATOM 51 CB ALA A 4 12.982 13.943 20.257 1.00 0.00 C ATOM 0 H ALA A 4 13.670 13.606 17.812 1.00 0.00 H new ATOM 0 HA ALA A 4 14.014 12.077 20.296 1.00 0.00 H new ATOM 0 HB1 ALA A 4 12.468 13.766 21.202 1.00 0.00 H new ATOM 0 HB2 ALA A 4 13.889 14.518 20.440 1.00 0.00 H new ATOM 0 HB3 ALA A 4 12.328 14.501 19.587 1.00 0.00 H new ATOM 57 N SER A 5 11.519 11.280 20.498 1.00 0.00 N ATOM 58 CA SER A 5 10.312 10.474 20.435 1.00 0.00 C ATOM 59 C SER A 5 9.129 11.303 19.948 1.00 0.00 C ATOM 60 O SER A 5 9.151 12.534 20.035 1.00 0.00 O ATOM 61 CB SER A 5 10.015 9.887 21.813 1.00 0.00 C ATOM 62 OG SER A 5 11.183 9.884 22.617 1.00 0.00 O ATOM 0 H SER A 5 11.866 11.443 21.443 1.00 0.00 H new ATOM 0 HA SER A 5 10.471 9.663 19.724 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.233 10.468 22.301 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.637 8.870 21.707 1.00 0.00 H new ATOM 0 HG SER A 5 11.232 10.720 23.126 1.00 0.00 H new ATOM 68 N ALA A 6 8.109 10.613 19.434 1.00 0.00 N ATOM 69 CA ALA A 6 6.905 11.254 18.905 1.00 0.00 C ATOM 70 C ALA A 6 7.216 12.063 17.651 1.00 0.00 C ATOM 71 O ALA A 6 7.164 13.294 17.656 1.00 0.00 O ATOM 72 CB ALA A 6 6.235 12.125 19.964 1.00 0.00 C ATOM 0 H ALA A 6 8.095 9.595 19.373 1.00 0.00 H new ATOM 0 HA ALA A 6 6.206 10.465 18.628 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.343 12.589 19.543 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.955 11.508 20.818 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.928 12.901 20.289 1.00 0.00 H new ATOM 78 N ALA A 7 7.545 11.355 16.580 1.00 0.00 N ATOM 79 CA ALA A 7 7.845 11.978 15.302 1.00 0.00 C ATOM 80 C ALA A 7 7.263 11.144 14.170 1.00 0.00 C ATOM 81 O ALA A 7 7.230 9.915 14.251 1.00 0.00 O ATOM 82 CB ALA A 7 9.350 12.134 15.128 1.00 0.00 C ATOM 0 H ALA A 7 7.611 10.337 16.574 1.00 0.00 H new ATOM 0 HA ALA A 7 7.392 12.969 15.278 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.558 12.602 14.166 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.746 12.758 15.929 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.824 11.153 15.165 1.00 0.00 H new ATOM 88 N LYS A 8 6.808 11.806 13.117 1.00 0.00 N ATOM 89 CA LYS A 8 6.181 11.118 12.000 1.00 0.00 C ATOM 90 C LYS A 8 7.172 10.943 10.862 1.00 0.00 C ATOM 91 O LYS A 8 7.123 11.651 9.858 1.00 0.00 O ATOM 92 CB LYS A 8 4.952 11.889 11.518 1.00 0.00 C ATOM 93 CG LYS A 8 3.672 11.478 12.220 1.00 0.00 C ATOM 94 CD LYS A 8 2.685 12.630 12.299 1.00 0.00 C ATOM 95 CE LYS A 8 1.791 12.688 11.072 1.00 0.00 C ATOM 96 NZ LYS A 8 1.612 14.081 10.582 1.00 0.00 N ATOM 0 H LYS A 8 6.862 12.819 13.013 1.00 0.00 H new ATOM 0 HA LYS A 8 5.861 10.132 12.339 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.117 12.955 11.673 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.834 11.737 10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.216 10.643 11.688 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.904 11.127 13.225 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.070 12.522 13.193 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.229 13.569 12.398 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.222 12.077 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.818 12.259 11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.219 14.063 9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.960 14.590 11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.532 14.566 10.571 1.00 0.00 H new ATOM 110 N ASN A 9 8.093 10.011 11.030 1.00 0.00 N ATOM 111 CA ASN A 9 9.088 9.750 10.005 1.00 0.00 C ATOM 112 C ASN A 9 9.237 8.263 9.745 1.00 0.00 C ATOM 113 O ASN A 9 9.679 7.504 10.612 1.00 0.00 O ATOM 114 CB ASN A 9 10.432 10.368 10.382 1.00 0.00 C ATOM 115 CG ASN A 9 10.888 11.375 9.348 1.00 0.00 C ATOM 116 OD1 ASN A 9 12.080 11.519 9.080 1.00 0.00 O ATOM 117 ND2 ASN A 9 9.934 12.079 8.759 1.00 0.00 N ATOM 0 H ASN A 9 8.173 9.425 11.861 1.00 0.00 H new ATOM 0 HA ASN A 9 8.742 10.217 9.083 1.00 0.00 H new ATOM 0 HB2 ASN A 9 10.350 10.854 11.354 1.00 0.00 H new ATOM 0 HB3 ASN A 9 11.180 9.582 10.481 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.175 12.774 8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.958 11.927 9.012 1.00 0.00 H new ATOM 124 N ALA A 10 8.856 7.860 8.543 1.00 0.00 N ATOM 125 CA ALA A 10 8.902 6.469 8.134 1.00 0.00 C ATOM 126 C ALA A 10 8.769 6.372 6.621 1.00 0.00 C ATOM 127 O ALA A 10 7.921 7.036 6.023 1.00 0.00 O ATOM 128 CB ALA A 10 7.792 5.687 8.816 1.00 0.00 C ATOM 0 H ALA A 10 8.505 8.492 7.823 1.00 0.00 H new ATOM 0 HA ALA A 10 9.859 6.040 8.431 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.836 4.644 8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.917 5.746 9.897 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.826 6.109 8.539 1.00 0.00 H new ATOM 134 N LYS A 11 9.621 5.572 6.003 1.00 0.00 N ATOM 135 CA LYS A 11 9.602 5.408 4.563 1.00 0.00 C ATOM 136 C LYS A 11 9.495 3.935 4.198 1.00 0.00 C ATOM 137 O LYS A 11 10.060 3.078 4.877 1.00 0.00 O ATOM 138 CB LYS A 11 10.871 5.997 3.946 1.00 0.00 C ATOM 139 CG LYS A 11 11.331 7.290 4.597 1.00 0.00 C ATOM 140 CD LYS A 11 12.747 7.647 4.178 1.00 0.00 C ATOM 141 CE LYS A 11 13.753 6.607 4.656 1.00 0.00 C ATOM 142 NZ LYS A 11 14.820 7.213 5.491 1.00 0.00 N ATOM 0 H LYS A 11 10.337 5.024 6.480 1.00 0.00 H new ATOM 0 HA LYS A 11 8.733 5.936 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.672 5.261 4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.697 6.178 2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.654 8.099 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.285 7.190 5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.796 7.729 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.012 8.623 4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.236 5.838 5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.202 6.114 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.484 6.473 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.331 7.929 4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.394 7.662 6.327 1.00 0.00 H new ATOM 156 N LEU A 12 8.775 3.641 3.125 1.00 0.00 N ATOM 157 CA LEU A 12 8.657 2.271 2.648 1.00 0.00 C ATOM 158 C LEU A 12 9.886 1.907 1.833 1.00 0.00 C ATOM 159 O LEU A 12 9.838 1.885 0.603 1.00 0.00 O ATOM 160 CB LEU A 12 7.383 2.057 1.811 1.00 0.00 C ATOM 161 CG LEU A 12 6.375 3.211 1.800 1.00 0.00 C ATOM 162 CD1 LEU A 12 5.351 3.004 0.695 1.00 0.00 C ATOM 163 CD2 LEU A 12 5.681 3.349 3.149 1.00 0.00 C ATOM 0 H LEU A 12 8.266 4.329 2.570 1.00 0.00 H new ATOM 0 HA LEU A 12 8.585 1.620 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.680 1.853 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.877 1.165 2.180 1.00 0.00 H new ATOM 0 HG LEU A 12 6.920 4.135 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.641 3.831 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.859 2.965 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.819 2.068 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.972 4.176 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.150 2.426 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.424 3.544 3.922 1.00 0.00 H new ATOM 175 N ALA A 13 10.998 1.675 2.543 1.00 0.00 N ATOM 176 CA ALA A 13 12.297 1.338 1.941 1.00 0.00 C ATOM 177 C ALA A 13 12.934 2.552 1.255 1.00 0.00 C ATOM 178 O ALA A 13 14.158 2.674 1.193 1.00 0.00 O ATOM 179 CB ALA A 13 12.170 0.170 0.972 1.00 0.00 C ATOM 0 H ALA A 13 11.022 1.716 3.562 1.00 0.00 H new ATOM 0 HA ALA A 13 12.959 1.033 2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.147 -0.055 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.797 -0.705 1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.476 0.433 0.174 1.00 0.00 H new ATOM 185 N THR A 14 12.099 3.436 0.739 1.00 0.00 N ATOM 186 CA THR A 14 12.555 4.649 0.082 1.00 0.00 C ATOM 187 C THR A 14 11.527 5.760 0.277 1.00 0.00 C ATOM 188 O THR A 14 11.778 6.723 1.000 1.00 0.00 O ATOM 189 CB THR A 14 12.792 4.421 -1.424 1.00 0.00 C ATOM 190 OG1 THR A 14 12.443 3.073 -1.779 1.00 0.00 O ATOM 191 CG2 THR A 14 14.244 4.687 -1.785 1.00 0.00 C ATOM 0 H THR A 14 11.084 3.334 0.763 1.00 0.00 H new ATOM 0 HA THR A 14 13.504 4.939 0.534 1.00 0.00 H new ATOM 0 HB THR A 14 12.161 5.115 -1.980 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.742 2.888 -2.694 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.390 4.520 -2.852 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.496 5.719 -1.541 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.889 4.013 -1.221 1.00 0.00 H new ATOM 199 N SER A 15 10.364 5.592 -0.359 1.00 0.00 N ATOM 200 CA SER A 15 9.234 6.520 -0.236 1.00 0.00 C ATOM 201 C SER A 15 9.527 7.886 -0.856 1.00 0.00 C ATOM 202 O SER A 15 8.917 8.252 -1.862 1.00 0.00 O ATOM 203 CB SER A 15 8.826 6.698 1.227 1.00 0.00 C ATOM 204 OG SER A 15 7.872 5.725 1.606 1.00 0.00 O ATOM 0 H SER A 15 10.178 4.803 -0.978 1.00 0.00 H new ATOM 0 HA SER A 15 8.409 6.072 -0.790 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.705 6.619 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.413 7.696 1.375 1.00 0.00 H new ATOM 0 HG SER A 15 7.395 6.029 2.406 1.00 0.00 H new ATOM 210 N ALA A 16 10.452 8.629 -0.236 1.00 0.00 N ATOM 211 CA ALA A 16 10.781 9.998 -0.629 1.00 0.00 C ATOM 212 C ALA A 16 9.542 10.894 -0.603 1.00 0.00 C ATOM 213 O ALA A 16 9.240 11.519 0.415 1.00 0.00 O ATOM 214 CB ALA A 16 11.456 10.030 -1.996 1.00 0.00 C ATOM 0 H ALA A 16 10.995 8.291 0.558 1.00 0.00 H new ATOM 0 HA ALA A 16 11.489 10.392 0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.689 11.061 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.376 9.447 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.785 9.605 -2.743 1.00 0.00 H new ATOM 220 N ALA A 17 8.810 10.929 -1.707 1.00 0.00 N ATOM 221 CA ALA A 17 7.616 11.754 -1.800 1.00 0.00 C ATOM 222 C ALA A 17 6.496 11.176 -0.942 1.00 0.00 C ATOM 223 O ALA A 17 5.736 11.913 -0.316 1.00 0.00 O ATOM 224 CB ALA A 17 7.174 11.898 -3.246 1.00 0.00 C ATOM 0 H ALA A 17 9.022 10.396 -2.550 1.00 0.00 H new ATOM 0 HA ALA A 17 7.855 12.748 -1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.279 12.519 -3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.971 12.365 -3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.955 10.913 -3.659 1.00 0.00 H new ATOM 230 N PHE A 18 6.428 9.852 -0.884 1.00 0.00 N ATOM 231 CA PHE A 18 5.410 9.176 -0.088 1.00 0.00 C ATOM 232 C PHE A 18 5.688 9.353 1.403 1.00 0.00 C ATOM 233 O PHE A 18 4.814 9.149 2.239 1.00 0.00 O ATOM 234 CB PHE A 18 5.345 7.687 -0.435 1.00 0.00 C ATOM 235 CG PHE A 18 4.055 7.036 -0.017 1.00 0.00 C ATOM 236 CD1 PHE A 18 2.871 7.319 -0.682 1.00 0.00 C ATOM 237 CD2 PHE A 18 4.024 6.145 1.045 1.00 0.00 C ATOM 238 CE1 PHE A 18 1.683 6.727 -0.294 1.00 0.00 C ATOM 239 CE2 PHE A 18 2.836 5.552 1.438 1.00 0.00 C ATOM 240 CZ PHE A 18 1.666 5.842 0.766 1.00 0.00 C ATOM 0 H PHE A 18 7.064 9.226 -1.377 1.00 0.00 H new ATOM 0 HA PHE A 18 4.447 9.629 -0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.474 7.565 -1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.177 7.172 0.046 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.877 8.010 -1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.937 5.911 1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.768 6.957 -0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.825 4.863 2.270 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.739 5.378 1.068 1.00 0.00 H new ATOM 250 N ALA A 19 6.911 9.750 1.735 1.00 0.00 N ATOM 251 CA ALA A 19 7.272 9.999 3.125 1.00 0.00 C ATOM 252 C ALA A 19 6.708 11.335 3.593 1.00 0.00 C ATOM 253 O ALA A 19 6.642 11.609 4.788 1.00 0.00 O ATOM 254 CB ALA A 19 8.779 9.961 3.298 1.00 0.00 C ATOM 0 H ALA A 19 7.665 9.905 1.066 1.00 0.00 H new ATOM 0 HA ALA A 19 6.838 9.211 3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.030 10.149 4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.154 8.980 3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.237 10.726 2.671 1.00 0.00 H new ATOM 260 N LYS A 20 6.292 12.166 2.643 1.00 0.00 N ATOM 261 CA LYS A 20 5.649 13.424 2.971 1.00 0.00 C ATOM 262 C LYS A 20 4.179 13.154 3.234 1.00 0.00 C ATOM 263 O LYS A 20 3.502 13.888 3.954 1.00 0.00 O ATOM 264 CB LYS A 20 5.814 14.431 1.827 1.00 0.00 C ATOM 265 CG LYS A 20 7.253 14.856 1.587 1.00 0.00 C ATOM 266 CD LYS A 20 7.575 14.900 0.101 1.00 0.00 C ATOM 267 CE LYS A 20 9.069 14.777 -0.147 1.00 0.00 C ATOM 268 NZ LYS A 20 9.593 15.896 -0.975 1.00 0.00 N ATOM 0 H LYS A 20 6.390 11.988 1.644 1.00 0.00 H new ATOM 0 HA LYS A 20 6.113 13.855 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.416 13.994 0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.215 15.315 2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.423 15.839 2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.928 14.162 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.052 14.092 -0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.210 15.835 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.594 14.757 0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.277 13.830 -0.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.615 15.772 -1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.111 15.901 -1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.419 16.799 -0.489 1.00 0.00 H new ATOM 282 N GLN A 21 3.708 12.065 2.651 1.00 0.00 N ATOM 283 CA GLN A 21 2.347 11.612 2.841 1.00 0.00 C ATOM 284 C GLN A 21 2.144 11.141 4.274 1.00 0.00 C ATOM 285 O GLN A 21 1.071 11.305 4.845 1.00 0.00 O ATOM 286 CB GLN A 21 2.037 10.488 1.857 1.00 0.00 C ATOM 287 CG GLN A 21 0.757 10.710 1.088 1.00 0.00 C ATOM 288 CD GLN A 21 1.000 10.908 -0.394 1.00 0.00 C ATOM 289 OE1 GLN A 21 1.812 11.738 -0.798 1.00 0.00 O ATOM 290 NE2 GLN A 21 0.295 10.148 -1.214 1.00 0.00 N ATOM 0 H GLN A 21 4.261 11.472 2.033 1.00 0.00 H new ATOM 0 HA GLN A 21 1.664 12.441 2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.864 10.391 1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.968 9.546 2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.096 9.856 1.234 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.242 11.583 1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.369 9.471 -0.838 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.415 10.238 -2.223 1.00 0.00 H new ATOM 299 N ALA A 22 3.199 10.589 4.863 1.00 0.00 N ATOM 300 CA ALA A 22 3.155 10.133 6.247 1.00 0.00 C ATOM 301 C ALA A 22 3.009 11.314 7.205 1.00 0.00 C ATOM 302 O ALA A 22 2.649 11.144 8.371 1.00 0.00 O ATOM 303 CB ALA A 22 4.407 9.334 6.576 1.00 0.00 C ATOM 0 H ALA A 22 4.098 10.446 4.402 1.00 0.00 H new ATOM 0 HA ALA A 22 2.284 9.489 6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.363 8.999 7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.470 8.468 5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.287 9.962 6.435 1.00 0.00 H new ATOM 309 N GLU A 23 3.298 12.510 6.707 1.00 0.00 N ATOM 310 CA GLU A 23 3.150 13.720 7.498 1.00 0.00 C ATOM 311 C GLU A 23 1.862 14.449 7.128 1.00 0.00 C ATOM 312 O GLU A 23 1.054 14.774 8.000 1.00 0.00 O ATOM 313 CB GLU A 23 4.358 14.640 7.309 1.00 0.00 C ATOM 314 CG GLU A 23 5.417 14.466 8.385 1.00 0.00 C ATOM 315 CD GLU A 23 5.027 15.103 9.706 1.00 0.00 C ATOM 316 OE1 GLU A 23 3.821 15.348 9.928 1.00 0.00 O ATOM 317 OE2 GLU A 23 5.925 15.364 10.530 1.00 0.00 O ATOM 0 H GLU A 23 3.636 12.665 5.757 1.00 0.00 H new ATOM 0 HA GLU A 23 3.096 13.436 8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.805 14.447 6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.020 15.676 7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.599 13.403 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.354 14.903 8.039 1.00 0.00 H new ATOM 324 N GLY A 24 1.657 14.671 5.832 1.00 0.00 N ATOM 325 CA GLY A 24 0.477 15.382 5.373 1.00 0.00 C ATOM 326 C GLY A 24 -0.805 14.597 5.597 1.00 0.00 C ATOM 327 O GLY A 24 -1.896 15.162 5.561 1.00 0.00 O ATOM 0 H GLY A 24 2.289 14.370 5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.409 16.338 5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.582 15.604 4.311 1.00 0.00 H new ATOM 331 N THR A 25 -0.676 13.297 5.814 1.00 0.00 N ATOM 332 CA THR A 25 -1.822 12.451 6.106 1.00 0.00 C ATOM 333 C THR A 25 -1.660 11.799 7.477 1.00 0.00 C ATOM 334 O THR A 25 -0.581 11.316 7.818 1.00 0.00 O ATOM 335 CB THR A 25 -1.991 11.359 5.030 1.00 0.00 C ATOM 336 OG1 THR A 25 -1.617 11.883 3.748 1.00 0.00 O ATOM 337 CG2 THR A 25 -3.425 10.853 4.981 1.00 0.00 C ATOM 0 H THR A 25 0.216 12.803 5.793 1.00 0.00 H new ATOM 0 HA THR A 25 -2.713 13.079 6.107 1.00 0.00 H new ATOM 0 HB THR A 25 -1.344 10.521 5.288 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.641 11.863 3.658 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.514 10.084 4.213 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.696 10.432 5.949 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.095 11.680 4.745 1.00 0.00 H new ATOM 345 N THR A 26 -2.722 11.807 8.274 1.00 0.00 N ATOM 346 CA THR A 26 -2.671 11.197 9.592 1.00 0.00 C ATOM 347 C THR A 26 -2.944 9.696 9.511 1.00 0.00 C ATOM 348 O THR A 26 -4.094 9.264 9.461 1.00 0.00 O ATOM 349 CB THR A 26 -3.684 11.848 10.553 1.00 0.00 C ATOM 350 OG1 THR A 26 -4.319 12.962 9.913 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.997 12.320 11.824 1.00 0.00 C ATOM 0 H THR A 26 -3.620 12.226 8.032 1.00 0.00 H new ATOM 0 HA THR A 26 -1.665 11.359 9.980 1.00 0.00 H new ATOM 0 HB THR A 26 -4.433 11.101 10.816 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.963 13.370 10.529 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.732 12.776 12.487 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.535 11.470 12.325 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.231 13.053 11.573 1.00 0.00 H new ATOM 359 N CYS A 27 -1.875 8.915 9.496 1.00 0.00 N ATOM 360 CA CYS A 27 -1.977 7.465 9.472 1.00 0.00 C ATOM 361 C CYS A 27 -0.906 6.866 10.379 1.00 0.00 C ATOM 362 O CYS A 27 -0.150 7.601 11.020 1.00 0.00 O ATOM 363 CB CYS A 27 -1.844 6.926 8.039 1.00 0.00 C ATOM 364 SG CYS A 27 -3.438 6.719 7.169 1.00 0.00 S ATOM 0 H CYS A 27 -0.917 9.266 9.500 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.961 7.174 9.840 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.214 7.605 7.464 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.332 5.964 8.070 1.00 0.00 H new ATOM 369 N ASN A 28 -0.841 5.544 10.439 1.00 0.00 N ATOM 370 CA ASN A 28 0.078 4.870 11.352 1.00 0.00 C ATOM 371 C ASN A 28 1.046 3.972 10.587 1.00 0.00 C ATOM 372 O ASN A 28 0.887 3.761 9.384 1.00 0.00 O ATOM 373 CB ASN A 28 -0.703 4.052 12.381 1.00 0.00 C ATOM 374 CG ASN A 28 -0.105 4.124 13.774 1.00 0.00 C ATOM 375 OD1 ASN A 28 1.115 4.170 13.943 1.00 0.00 O ATOM 376 ND2 ASN A 28 -0.967 4.131 14.779 1.00 0.00 N ATOM 0 H ASN A 28 -1.410 4.917 9.870 1.00 0.00 H new ATOM 0 HA ASN A 28 0.659 5.631 11.873 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.732 4.409 12.415 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.737 3.011 12.060 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.629 4.176 15.740 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.969 4.092 14.592 1.00 0.00 H new ATOM 383 N VAL A 29 2.034 3.431 11.299 1.00 0.00 N ATOM 384 CA VAL A 29 3.091 2.629 10.686 1.00 0.00 C ATOM 385 C VAL A 29 2.532 1.373 10.012 1.00 0.00 C ATOM 386 O VAL A 29 2.886 1.060 8.877 1.00 0.00 O ATOM 387 CB VAL A 29 4.173 2.237 11.728 1.00 0.00 C ATOM 388 CG1 VAL A 29 3.593 1.352 12.827 1.00 0.00 C ATOM 389 CG2 VAL A 29 5.350 1.551 11.049 1.00 0.00 C ATOM 0 H VAL A 29 2.124 3.535 12.310 1.00 0.00 H new ATOM 0 HA VAL A 29 3.553 3.248 9.917 1.00 0.00 H new ATOM 0 HB VAL A 29 4.531 3.154 12.196 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.377 1.096 13.540 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.795 1.887 13.342 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.192 0.440 12.386 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.097 1.285 11.797 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.004 0.649 10.545 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.793 2.228 10.319 1.00 0.00 H new ATOM 399 N GLY A 30 1.641 0.673 10.702 1.00 0.00 N ATOM 400 CA GLY A 30 1.057 -0.531 10.154 1.00 0.00 C ATOM 401 C GLY A 30 -0.320 -0.263 9.608 1.00 0.00 C ATOM 402 O GLY A 30 -1.132 -1.176 9.446 1.00 0.00 O ATOM 0 H GLY A 30 1.313 0.921 11.635 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.696 -0.922 9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.003 -1.297 10.927 1.00 0.00 H new ATOM 406 N SER A 31 -0.592 0.999 9.335 1.00 0.00 N ATOM 407 CA SER A 31 -1.881 1.386 8.805 1.00 0.00 C ATOM 408 C SER A 31 -1.739 2.185 7.516 1.00 0.00 C ATOM 409 O SER A 31 -2.733 2.491 6.865 1.00 0.00 O ATOM 410 CB SER A 31 -2.662 2.184 9.846 1.00 0.00 C ATOM 411 OG SER A 31 -2.394 1.700 11.152 1.00 0.00 O ATOM 0 H SER A 31 0.062 1.770 9.472 1.00 0.00 H new ATOM 0 HA SER A 31 -2.433 0.476 8.569 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.393 3.238 9.781 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.730 2.115 9.639 1.00 0.00 H new ATOM 0 HG SER A 31 -2.902 2.224 11.806 1.00 0.00 H new ATOM 417 N ILE A 32 -0.511 2.508 7.130 1.00 0.00 N ATOM 418 CA ILE A 32 -0.295 3.221 5.882 1.00 0.00 C ATOM 419 C ILE A 32 -0.357 2.226 4.725 1.00 0.00 C ATOM 420 O ILE A 32 0.300 1.178 4.751 1.00 0.00 O ATOM 421 CB ILE A 32 1.038 4.025 5.896 1.00 0.00 C ATOM 422 CG1 ILE A 32 0.797 5.441 5.383 1.00 0.00 C ATOM 423 CG2 ILE A 32 2.142 3.356 5.084 1.00 0.00 C ATOM 424 CD1 ILE A 32 1.246 6.517 6.347 1.00 0.00 C ATOM 0 H ILE A 32 0.336 2.291 7.655 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.084 3.961 5.752 1.00 0.00 H new ATOM 0 HB ILE A 32 1.380 4.057 6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.322 5.570 4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.266 5.569 5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.047 3.962 5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.347 2.367 5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.823 3.260 4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.044 7.498 5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.703 6.414 7.286 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.315 6.415 6.533 1.00 0.00 H new ATOM 436 N ALA A 33 -1.200 2.516 3.746 1.00 0.00 N ATOM 437 CA ALA A 33 -1.488 1.557 2.699 1.00 0.00 C ATOM 438 C ALA A 33 -1.788 2.237 1.371 1.00 0.00 C ATOM 439 O ALA A 33 -2.123 3.420 1.320 1.00 0.00 O ATOM 440 CB ALA A 33 -2.662 0.688 3.122 1.00 0.00 C ATOM 0 H ALA A 33 -1.693 3.404 3.657 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.602 0.939 2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.881 -0.035 2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.411 0.159 4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.537 1.316 3.292 1.00 0.00 H new ATOM 446 N CYS A 34 -1.661 1.473 0.302 1.00 0.00 N ATOM 447 CA CYS A 34 -2.025 1.939 -1.022 1.00 0.00 C ATOM 448 C CYS A 34 -3.204 1.127 -1.538 1.00 0.00 C ATOM 449 O CYS A 34 -3.267 -0.089 -1.341 1.00 0.00 O ATOM 450 CB CYS A 34 -0.835 1.824 -1.977 1.00 0.00 C ATOM 451 SG CYS A 34 0.282 3.267 -1.958 1.00 0.00 S ATOM 0 H CYS A 34 -1.305 0.518 0.327 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.312 2.989 -0.965 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.263 0.932 -1.721 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.210 1.682 -2.991 1.00 0.00 H new ATOM 456 N CYS A 35 -4.142 1.796 -2.184 1.00 0.00 N ATOM 457 CA CYS A 35 -5.352 1.146 -2.661 1.00 0.00 C ATOM 458 C CYS A 35 -5.533 1.368 -4.155 1.00 0.00 C ATOM 459 O CYS A 35 -4.948 2.287 -4.733 1.00 0.00 O ATOM 460 CB CYS A 35 -6.567 1.677 -1.898 1.00 0.00 C ATOM 461 SG CYS A 35 -7.809 0.409 -1.492 1.00 0.00 S ATOM 0 H CYS A 35 -4.090 2.793 -2.392 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.260 0.074 -2.484 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.226 2.144 -0.974 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.042 2.457 -2.492 1.00 0.00 H new ATOM 466 N ASN A 36 -6.337 0.520 -4.776 1.00 0.00 N ATOM 467 CA ASN A 36 -6.632 0.640 -6.193 1.00 0.00 C ATOM 468 C ASN A 36 -8.063 0.201 -6.459 1.00 0.00 C ATOM 469 O ASN A 36 -8.663 -0.489 -5.633 1.00 0.00 O ATOM 470 CB ASN A 36 -5.653 -0.193 -7.032 1.00 0.00 C ATOM 471 CG ASN A 36 -5.496 0.345 -8.444 1.00 0.00 C ATOM 472 OD1 ASN A 36 -6.172 1.294 -8.841 1.00 0.00 O ATOM 473 ND2 ASN A 36 -4.595 -0.252 -9.211 1.00 0.00 N ATOM 0 H ASN A 36 -6.800 -0.264 -4.316 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.517 1.684 -6.483 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.680 -0.207 -6.541 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.003 -1.224 -7.076 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.443 0.072 -10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.054 -1.036 -8.846 1.00 0.00 H new ATOM 480 N SER A 37 -8.608 0.628 -7.595 1.00 0.00 N ATOM 481 CA SER A 37 -9.969 0.282 -7.997 1.00 0.00 C ATOM 482 C SER A 37 -10.203 -1.235 -7.929 1.00 0.00 C ATOM 483 O SER A 37 -9.272 -2.023 -8.122 1.00 0.00 O ATOM 484 CB SER A 37 -10.221 0.810 -9.412 1.00 0.00 C ATOM 485 OG SER A 37 -9.315 1.861 -9.723 1.00 0.00 O ATOM 0 H SER A 37 -8.119 1.224 -8.263 1.00 0.00 H new ATOM 0 HA SER A 37 -10.672 0.746 -7.305 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.109 0.001 -10.133 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.246 1.170 -9.494 1.00 0.00 H new ATOM 0 HG SER A 37 -9.489 2.185 -10.631 1.00 0.00 H new ATOM 491 N PRO A 38 -11.457 -1.660 -7.672 1.00 0.00 N ATOM 492 CA PRO A 38 -11.788 -3.068 -7.399 1.00 0.00 C ATOM 493 C PRO A 38 -11.288 -4.023 -8.473 1.00 0.00 C ATOM 494 O PRO A 38 -10.638 -5.017 -8.169 1.00 0.00 O ATOM 495 CB PRO A 38 -13.319 -3.084 -7.348 1.00 0.00 C ATOM 496 CG PRO A 38 -13.710 -1.684 -7.030 1.00 0.00 C ATOM 497 CD PRO A 38 -12.658 -0.803 -7.645 1.00 0.00 C ATOM 0 HA PRO A 38 -11.311 -3.409 -6.480 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.742 -3.405 -8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.681 -3.777 -6.588 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.695 -1.454 -7.435 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.764 -1.531 -5.952 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.942 -0.480 -8.646 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.494 0.098 -7.054 1.00 0.00 H new ATOM 505 N ALA A 39 -11.563 -3.702 -9.726 1.00 0.00 N ATOM 506 CA ALA A 39 -11.237 -4.596 -10.831 1.00 0.00 C ATOM 507 C ALA A 39 -9.731 -4.678 -11.092 1.00 0.00 C ATOM 508 O ALA A 39 -9.275 -5.537 -11.842 1.00 0.00 O ATOM 509 CB ALA A 39 -11.960 -4.154 -12.088 1.00 0.00 C ATOM 0 H ALA A 39 -12.011 -2.830 -10.006 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.570 -5.594 -10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.710 -4.828 -12.907 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.036 -4.176 -11.916 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.654 -3.140 -12.346 1.00 0.00 H new ATOM 515 N GLU A 40 -8.967 -3.789 -10.476 1.00 0.00 N ATOM 516 CA GLU A 40 -7.517 -3.776 -10.650 1.00 0.00 C ATOM 517 C GLU A 40 -6.840 -4.381 -9.429 1.00 0.00 C ATOM 518 O GLU A 40 -5.918 -5.188 -9.548 1.00 0.00 O ATOM 519 CB GLU A 40 -7.001 -2.351 -10.887 1.00 0.00 C ATOM 520 CG GLU A 40 -8.053 -1.405 -11.436 1.00 0.00 C ATOM 521 CD GLU A 40 -8.174 -1.466 -12.946 1.00 0.00 C ATOM 522 OE1 GLU A 40 -8.494 -2.548 -13.482 1.00 0.00 O ATOM 523 OE2 GLU A 40 -7.970 -0.426 -13.601 1.00 0.00 O ATOM 0 H GLU A 40 -9.324 -3.066 -9.851 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.275 -4.374 -11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.620 -1.951 -9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.161 -2.389 -11.581 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.018 -1.645 -10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.808 -0.386 -11.137 1.00 0.00 H new ATOM 530 N THR A 41 -7.316 -3.997 -8.254 1.00 0.00 N ATOM 531 CA THR A 41 -6.820 -4.558 -7.009 1.00 0.00 C ATOM 532 C THR A 41 -7.180 -6.051 -6.920 1.00 0.00 C ATOM 533 O THR A 41 -6.415 -6.864 -6.399 1.00 0.00 O ATOM 534 CB THR A 41 -7.387 -3.765 -5.800 1.00 0.00 C ATOM 535 OG1 THR A 41 -6.340 -3.018 -5.164 1.00 0.00 O ATOM 536 CG2 THR A 41 -8.058 -4.670 -4.777 1.00 0.00 C ATOM 0 H THR A 41 -8.048 -3.296 -8.138 1.00 0.00 H new ATOM 0 HA THR A 41 -5.734 -4.473 -6.985 1.00 0.00 H new ATOM 0 HB THR A 41 -8.145 -3.087 -6.191 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.534 -2.933 -4.207 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.438 -4.068 -3.952 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.885 -5.202 -5.248 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.333 -5.390 -4.397 1.00 0.00 H new ATOM 544 N ASN A 42 -8.340 -6.404 -7.464 1.00 0.00 N ATOM 545 CA ASN A 42 -8.818 -7.784 -7.462 1.00 0.00 C ATOM 546 C ASN A 42 -8.645 -8.404 -8.838 1.00 0.00 C ATOM 547 O ASN A 42 -9.233 -9.444 -9.138 1.00 0.00 O ATOM 548 CB ASN A 42 -10.293 -7.840 -7.058 1.00 0.00 C ATOM 549 CG ASN A 42 -10.484 -8.209 -5.598 1.00 0.00 C ATOM 550 OD1 ASN A 42 -11.117 -9.214 -5.274 1.00 0.00 O ATOM 551 ND2 ASN A 42 -9.934 -7.403 -4.703 1.00 0.00 N ATOM 0 H ASN A 42 -8.974 -5.745 -7.917 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.229 -8.347 -6.738 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.755 -6.871 -7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.810 -8.568 -7.684 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.028 -7.606 -3.708 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.416 -6.579 -5.009 1.00 0.00 H new ATOM 558 N ASN A 43 -7.846 -7.736 -9.668 1.00 0.00 N ATOM 559 CA ASN A 43 -7.622 -8.138 -11.064 1.00 0.00 C ATOM 560 C ASN A 43 -7.316 -9.626 -11.202 1.00 0.00 C ATOM 561 O ASN A 43 -7.762 -10.275 -12.148 1.00 0.00 O ATOM 562 CB ASN A 43 -6.473 -7.328 -11.668 1.00 0.00 C ATOM 563 CG ASN A 43 -6.534 -7.274 -13.182 1.00 0.00 C ATOM 564 OD1 ASN A 43 -5.685 -7.839 -13.869 1.00 0.00 O ATOM 565 ND2 ASN A 43 -7.532 -6.587 -13.709 1.00 0.00 N ATOM 0 H ASN A 43 -7.332 -6.898 -9.395 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.548 -7.938 -11.602 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.499 -6.314 -11.270 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.523 -7.766 -11.361 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.619 -6.510 -14.722 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.215 -6.133 -13.102 1.00 0.00 H new ATOM 572 N ASP A 44 -6.551 -10.164 -10.267 1.00 0.00 N ATOM 573 CA ASP A 44 -6.226 -11.581 -10.283 1.00 0.00 C ATOM 574 C ASP A 44 -6.869 -12.274 -9.096 1.00 0.00 C ATOM 575 O ASP A 44 -6.920 -11.709 -8.003 1.00 0.00 O ATOM 576 CB ASP A 44 -4.712 -11.792 -10.247 1.00 0.00 C ATOM 577 CG ASP A 44 -4.314 -13.196 -10.662 1.00 0.00 C ATOM 578 OD1 ASP A 44 -4.456 -14.130 -9.841 1.00 0.00 O ATOM 579 OD2 ASP A 44 -3.865 -13.373 -11.814 1.00 0.00 O ATOM 0 H ASP A 44 -6.144 -9.644 -9.490 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.614 -12.011 -11.207 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.232 -11.071 -10.908 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.344 -11.596 -9.240 1.00 0.00 H new ATOM 584 N SER A 45 -7.347 -13.492 -9.307 1.00 0.00 N ATOM 585 CA SER A 45 -7.999 -14.256 -8.252 1.00 0.00 C ATOM 586 C SER A 45 -7.051 -14.490 -7.073 1.00 0.00 C ATOM 587 O SER A 45 -7.472 -14.472 -5.914 1.00 0.00 O ATOM 588 CB SER A 45 -8.498 -15.586 -8.817 1.00 0.00 C ATOM 589 OG SER A 45 -8.752 -15.478 -10.213 1.00 0.00 O ATOM 0 H SER A 45 -7.295 -13.975 -10.204 1.00 0.00 H new ATOM 0 HA SER A 45 -8.849 -13.684 -7.880 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.756 -16.364 -8.637 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.409 -15.888 -8.299 1.00 0.00 H new ATOM 0 HG SER A 45 -9.069 -16.340 -10.556 1.00 0.00 H new ATOM 595 N LEU A 46 -5.769 -14.675 -7.369 1.00 0.00 N ATOM 596 CA LEU A 46 -4.771 -14.872 -6.328 1.00 0.00 C ATOM 597 C LEU A 46 -4.442 -13.536 -5.661 1.00 0.00 C ATOM 598 O LEU A 46 -4.159 -13.479 -4.462 1.00 0.00 O ATOM 599 CB LEU A 46 -3.510 -15.514 -6.918 1.00 0.00 C ATOM 600 CG LEU A 46 -2.183 -15.006 -6.352 1.00 0.00 C ATOM 601 CD1 LEU A 46 -1.374 -16.159 -5.783 1.00 0.00 C ATOM 602 CD2 LEU A 46 -1.391 -14.284 -7.429 1.00 0.00 C ATOM 0 H LEU A 46 -5.399 -14.692 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.173 -15.545 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.564 -16.591 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.511 -15.351 -7.996 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.396 -14.302 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.433 -15.781 -5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.939 -16.641 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.169 -16.884 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.449 -13.928 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.187 -14.969 -8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.968 -13.436 -7.798 1.00 0.00 H new ATOM 614 N LEU A 47 -4.509 -12.461 -6.442 1.00 0.00 N ATOM 615 CA LEU A 47 -4.203 -11.123 -5.945 1.00 0.00 C ATOM 616 C LEU A 47 -5.168 -10.733 -4.831 1.00 0.00 C ATOM 617 O LEU A 47 -4.766 -10.135 -3.835 1.00 0.00 O ATOM 618 CB LEU A 47 -4.279 -10.097 -7.081 1.00 0.00 C ATOM 619 CG LEU A 47 -2.947 -9.452 -7.478 1.00 0.00 C ATOM 620 CD1 LEU A 47 -2.375 -8.651 -6.318 1.00 0.00 C ATOM 621 CD2 LEU A 47 -1.954 -10.510 -7.941 1.00 0.00 C ATOM 0 H LEU A 47 -4.774 -12.491 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.189 -11.133 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.703 -10.584 -7.959 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.972 -9.308 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.131 -8.770 -8.308 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.429 -8.200 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.077 -7.867 -6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.208 -9.311 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.015 -10.031 -8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.775 -11.219 -7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.361 -11.038 -8.804 1.00 0.00 H new ATOM 633 N SER A 48 -6.435 -11.101 -5.000 1.00 0.00 N ATOM 634 CA SER A 48 -7.467 -10.807 -4.014 1.00 0.00 C ATOM 635 C SER A 48 -7.123 -11.404 -2.648 1.00 0.00 C ATOM 636 O SER A 48 -7.486 -10.851 -1.609 1.00 0.00 O ATOM 637 CB SER A 48 -8.808 -11.348 -4.504 1.00 0.00 C ATOM 638 OG SER A 48 -8.661 -11.993 -5.759 1.00 0.00 O ATOM 0 H SER A 48 -6.772 -11.608 -5.819 1.00 0.00 H new ATOM 0 HA SER A 48 -7.530 -9.725 -3.894 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.211 -12.050 -3.774 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.525 -10.532 -4.591 1.00 0.00 H new ATOM 0 HG SER A 48 -8.338 -12.908 -5.621 1.00 0.00 H new ATOM 644 N GLY A 49 -6.423 -12.533 -2.653 1.00 0.00 N ATOM 645 CA GLY A 49 -6.020 -13.157 -1.407 1.00 0.00 C ATOM 646 C GLY A 49 -4.741 -12.559 -0.864 1.00 0.00 C ATOM 647 O GLY A 49 -4.538 -12.499 0.349 1.00 0.00 O ATOM 0 H GLY A 49 -6.128 -13.026 -3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.815 -13.043 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.882 -14.227 -1.565 1.00 0.00 H new ATOM 651 N LEU A 50 -3.890 -12.096 -1.768 1.00 0.00 N ATOM 652 CA LEU A 50 -2.604 -11.515 -1.397 1.00 0.00 C ATOM 653 C LEU A 50 -2.790 -10.176 -0.689 1.00 0.00 C ATOM 654 O LEU A 50 -1.905 -9.715 0.029 1.00 0.00 O ATOM 655 CB LEU A 50 -1.734 -11.327 -2.642 1.00 0.00 C ATOM 656 CG LEU A 50 -0.483 -12.205 -2.703 1.00 0.00 C ATOM 657 CD1 LEU A 50 -0.853 -13.679 -2.622 1.00 0.00 C ATOM 658 CD2 LEU A 50 0.300 -11.919 -3.977 1.00 0.00 C ATOM 0 H LEU A 50 -4.067 -12.111 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.109 -12.201 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.342 -11.528 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.428 -10.282 -2.697 1.00 0.00 H new ATOM 0 HG LEU A 50 0.147 -11.967 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.052 -14.284 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.373 -13.873 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.504 -13.937 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.188 -12.551 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.326 -12.130 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.599 -10.871 -3.993 1.00 0.00 H new ATOM 670 N LEU A 51 -3.948 -9.562 -0.898 1.00 0.00 N ATOM 671 CA LEU A 51 -4.266 -8.280 -0.273 1.00 0.00 C ATOM 672 C LEU A 51 -4.579 -8.443 1.211 1.00 0.00 C ATOM 673 O LEU A 51 -4.615 -7.467 1.956 1.00 0.00 O ATOM 674 CB LEU A 51 -5.458 -7.627 -0.969 1.00 0.00 C ATOM 675 CG LEU A 51 -5.192 -7.138 -2.389 1.00 0.00 C ATOM 676 CD1 LEU A 51 -6.373 -7.458 -3.288 1.00 0.00 C ATOM 677 CD2 LEU A 51 -4.909 -5.646 -2.384 1.00 0.00 C ATOM 0 H LEU A 51 -4.686 -9.931 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.387 -7.643 -0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.280 -8.343 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.792 -6.782 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.316 -7.654 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.168 -7.103 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.534 -8.536 -3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.266 -6.965 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.721 -5.308 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.769 -5.114 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.034 -5.444 -1.767 1.00 0.00 H new ATOM 689 N GLY A 52 -4.804 -9.676 1.639 1.00 0.00 N ATOM 690 CA GLY A 52 -5.154 -9.923 3.018 1.00 0.00 C ATOM 691 C GLY A 52 -4.249 -10.954 3.645 1.00 0.00 C ATOM 692 O GLY A 52 -4.644 -12.104 3.826 1.00 0.00 O ATOM 0 H GLY A 52 -4.750 -10.510 1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.092 -8.992 3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.188 -10.262 3.076 1.00 0.00 H new ATOM 696 N ALA A 53 -3.033 -10.548 3.984 1.00 0.00 N ATOM 697 CA ALA A 53 -2.049 -11.476 4.525 1.00 0.00 C ATOM 698 C ALA A 53 -2.242 -11.655 6.026 1.00 0.00 C ATOM 699 O ALA A 53 -1.788 -12.641 6.611 1.00 0.00 O ATOM 700 CB ALA A 53 -0.638 -10.994 4.220 1.00 0.00 C ATOM 0 H ALA A 53 -2.705 -9.586 3.895 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.194 -12.445 4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.084 -11.699 4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.503 -10.924 3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.484 -10.013 4.669 1.00 0.00 H new ATOM 706 N GLY A 54 -2.917 -10.699 6.648 1.00 0.00 N ATOM 707 CA GLY A 54 -3.163 -10.774 8.075 1.00 0.00 C ATOM 708 C GLY A 54 -4.566 -10.335 8.446 1.00 0.00 C ATOM 709 O GLY A 54 -4.743 -9.285 9.066 1.00 0.00 O ATOM 0 H GLY A 54 -3.299 -9.872 6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.004 -11.798 8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.440 -10.149 8.599 1.00 0.00 H new ATOM 713 N LEU A 55 -5.556 -11.138 8.042 1.00 0.00 N ATOM 714 CA LEU A 55 -6.965 -10.885 8.354 1.00 0.00 C ATOM 715 C LEU A 55 -7.374 -9.476 7.942 1.00 0.00 C ATOM 716 O LEU A 55 -8.029 -8.753 8.693 1.00 0.00 O ATOM 717 CB LEU A 55 -7.232 -11.106 9.846 1.00 0.00 C ATOM 718 CG LEU A 55 -8.176 -12.262 10.180 1.00 0.00 C ATOM 719 CD1 LEU A 55 -8.304 -12.413 11.687 1.00 0.00 C ATOM 720 CD2 LEU A 55 -9.540 -12.039 9.547 1.00 0.00 C ATOM 0 H LEU A 55 -5.402 -11.981 7.489 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.568 -11.591 7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.279 -11.281 10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.647 -10.188 10.263 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.759 -13.182 9.771 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.978 -13.239 11.914 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.323 -12.617 12.117 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.702 -11.492 12.112 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.197 -12.872 9.796 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.970 -11.112 9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.432 -11.973 8.464 1.00 0.00 H new ATOM 732 N LEU A 56 -6.982 -9.097 6.740 1.00 0.00 N ATOM 733 CA LEU A 56 -7.253 -7.760 6.244 1.00 0.00 C ATOM 734 C LEU A 56 -8.642 -7.669 5.625 1.00 0.00 C ATOM 735 O LEU A 56 -9.253 -8.683 5.275 1.00 0.00 O ATOM 736 CB LEU A 56 -6.199 -7.354 5.218 1.00 0.00 C ATOM 737 CG LEU A 56 -5.275 -6.225 5.660 1.00 0.00 C ATOM 738 CD1 LEU A 56 -3.917 -6.777 6.042 1.00 0.00 C ATOM 739 CD2 LEU A 56 -5.143 -5.185 4.560 1.00 0.00 C ATOM 0 H LEU A 56 -6.475 -9.696 6.089 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.214 -7.076 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.593 -8.227 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.704 -7.053 4.300 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.709 -5.742 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.267 -5.960 6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.030 -7.486 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.475 -7.283 5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.480 -4.386 4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.729 -5.652 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.125 -4.770 4.332 1.00 0.00 H new ATOM 751 N ASN A 57 -9.129 -6.446 5.502 1.00 0.00 N ATOM 752 CA ASN A 57 -10.425 -6.179 4.913 1.00 0.00 C ATOM 753 C ASN A 57 -10.282 -5.164 3.783 1.00 0.00 C ATOM 754 O ASN A 57 -9.175 -4.736 3.463 1.00 0.00 O ATOM 755 CB ASN A 57 -11.389 -5.665 5.982 1.00 0.00 C ATOM 756 CG ASN A 57 -12.846 -5.842 5.605 1.00 0.00 C ATOM 757 OD1 ASN A 57 -13.174 -6.487 4.610 1.00 0.00 O ATOM 758 ND2 ASN A 57 -13.730 -5.253 6.389 1.00 0.00 N ATOM 0 H ASN A 57 -8.633 -5.609 5.810 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.830 -7.103 4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.196 -6.189 6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.192 -4.608 6.162 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.726 -5.324 6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.417 -4.727 7.205 1.00 0.00 H new ATOM 765 N GLY A 58 -11.400 -4.789 3.183 1.00 0.00 N ATOM 766 CA GLY A 58 -11.370 -3.882 2.050 1.00 0.00 C ATOM 767 C GLY A 58 -11.702 -2.461 2.452 1.00 0.00 C ATOM 768 O GLY A 58 -11.478 -2.070 3.591 1.00 0.00 O ATOM 0 H GLY A 58 -12.332 -5.096 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.381 -3.907 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.080 -4.221 1.296 1.00 0.00 H new ATOM 772 N LEU A 59 -12.240 -1.689 1.522 1.00 0.00 N ATOM 773 CA LEU A 59 -12.603 -0.304 1.792 1.00 0.00 C ATOM 774 C LEU A 59 -13.809 -0.230 2.725 1.00 0.00 C ATOM 775 O LEU A 59 -14.691 -1.090 2.691 1.00 0.00 O ATOM 776 CB LEU A 59 -12.907 0.430 0.482 1.00 0.00 C ATOM 777 CG LEU A 59 -12.151 1.747 0.270 1.00 0.00 C ATOM 778 CD1 LEU A 59 -12.885 2.901 0.933 1.00 0.00 C ATOM 779 CD2 LEU A 59 -10.727 1.646 0.794 1.00 0.00 C ATOM 0 H LEU A 59 -12.436 -1.998 0.570 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.758 0.179 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.678 -0.237 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.977 0.635 0.441 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.105 1.941 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.331 3.826 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.882 2.994 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.969 2.712 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.212 2.593 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.747 1.422 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.200 0.851 0.266 1.00 0.00 H new ATOM 791 N SER A 60 -13.823 0.795 3.564 1.00 0.00 N ATOM 792 CA SER A 60 -14.915 1.033 4.495 1.00 0.00 C ATOM 793 C SER A 60 -16.248 1.213 3.763 1.00 0.00 C ATOM 794 O SER A 60 -16.554 2.298 3.262 1.00 0.00 O ATOM 795 CB SER A 60 -14.599 2.270 5.339 1.00 0.00 C ATOM 796 OG SER A 60 -13.465 2.048 6.163 1.00 0.00 O ATOM 0 H SER A 60 -13.075 1.487 3.618 1.00 0.00 H new ATOM 0 HA SER A 60 -15.014 0.162 5.143 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.417 3.123 4.686 1.00 0.00 H new ATOM 0 HB3 SER A 60 -15.460 2.521 5.959 1.00 0.00 H new ATOM 0 HG SER A 60 -13.617 2.449 7.044 1.00 0.00 H new ATOM 802 N GLY A 61 -17.027 0.139 3.700 1.00 0.00 N ATOM 803 CA GLY A 61 -18.338 0.198 3.076 1.00 0.00 C ATOM 804 C GLY A 61 -18.297 -0.177 1.608 1.00 0.00 C ATOM 805 O GLY A 61 -19.305 -0.096 0.910 1.00 0.00 O ATOM 0 H GLY A 61 -16.773 -0.776 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.018 -0.473 3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.742 1.205 3.180 1.00 0.00 H new ATOM 809 N ASN A 62 -17.130 -0.592 1.139 1.00 0.00 N ATOM 810 CA ASN A 62 -16.952 -0.927 -0.267 1.00 0.00 C ATOM 811 C ASN A 62 -16.315 -2.304 -0.419 1.00 0.00 C ATOM 812 O ASN A 62 -15.099 -2.468 -0.262 1.00 0.00 O ATOM 813 CB ASN A 62 -16.108 0.153 -0.950 1.00 0.00 C ATOM 814 CG ASN A 62 -15.669 -0.205 -2.362 1.00 0.00 C ATOM 815 OD1 ASN A 62 -16.300 -1.002 -3.057 1.00 0.00 O ATOM 816 ND2 ASN A 62 -14.578 0.404 -2.793 1.00 0.00 N ATOM 0 H ASN A 62 -16.292 -0.705 1.710 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.928 -0.964 -0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.680 1.080 -0.983 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.223 0.346 -0.343 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.229 0.220 -3.734 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.085 1.058 -2.185 1.00 0.00 H new ATOM 823 N THR A 63 -17.147 -3.293 -0.712 1.00 0.00 N ATOM 824 CA THR A 63 -16.695 -4.664 -0.879 1.00 0.00 C ATOM 825 C THR A 63 -16.135 -4.897 -2.284 1.00 0.00 C ATOM 826 O THR A 63 -16.753 -5.566 -3.114 1.00 0.00 O ATOM 827 CB THR A 63 -17.852 -5.645 -0.615 1.00 0.00 C ATOM 828 OG1 THR A 63 -18.952 -4.939 -0.020 1.00 0.00 O ATOM 829 CG2 THR A 63 -17.412 -6.782 0.298 1.00 0.00 C ATOM 0 H THR A 63 -18.151 -3.167 -0.840 1.00 0.00 H new ATOM 0 HA THR A 63 -15.898 -4.840 -0.156 1.00 0.00 H new ATOM 0 HB THR A 63 -18.162 -6.077 -1.567 1.00 0.00 H new ATOM 0 HG1 THR A 63 -19.689 -5.563 0.147 1.00 0.00 H new ATOM 0 HG21 THR A 63 -18.250 -7.458 0.466 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.593 -7.328 -0.170 1.00 0.00 H new ATOM 0 HG23 THR A 63 -17.078 -6.374 1.252 1.00 0.00 H new ATOM 837 N GLY A 64 -14.964 -4.337 -2.543 1.00 0.00 N ATOM 838 CA GLY A 64 -14.324 -4.514 -3.830 1.00 0.00 C ATOM 839 C GLY A 64 -12.875 -4.085 -3.805 1.00 0.00 C ATOM 840 O GLY A 64 -11.972 -4.892 -4.030 1.00 0.00 O ATOM 0 H GLY A 64 -14.443 -3.761 -1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.387 -5.561 -4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.860 -3.937 -4.584 1.00 0.00 H new ATOM 844 N SER A 65 -12.649 -2.813 -3.526 1.00 0.00 N ATOM 845 CA SER A 65 -11.300 -2.280 -3.456 1.00 0.00 C ATOM 846 C SER A 65 -10.657 -2.597 -2.110 1.00 0.00 C ATOM 847 O SER A 65 -11.109 -2.130 -1.066 1.00 0.00 O ATOM 848 CB SER A 65 -11.324 -0.770 -3.694 1.00 0.00 C ATOM 849 OG SER A 65 -12.510 -0.388 -4.371 1.00 0.00 O ATOM 0 H SER A 65 -13.384 -2.129 -3.344 1.00 0.00 H new ATOM 0 HA SER A 65 -10.701 -2.753 -4.234 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.259 -0.246 -2.741 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.454 -0.475 -4.280 1.00 0.00 H new ATOM 0 HG SER A 65 -12.508 0.582 -4.513 1.00 0.00 H new ATOM 855 N ALA A 66 -9.630 -3.428 -2.149 1.00 0.00 N ATOM 856 CA ALA A 66 -8.826 -3.721 -0.977 1.00 0.00 C ATOM 857 C ALA A 66 -7.473 -3.047 -1.118 1.00 0.00 C ATOM 858 O ALA A 66 -7.009 -2.807 -2.238 1.00 0.00 O ATOM 859 CB ALA A 66 -8.662 -5.224 -0.808 1.00 0.00 C ATOM 0 H ALA A 66 -9.331 -3.917 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.327 -3.336 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.057 -5.427 0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.642 -5.686 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.170 -5.638 -1.688 1.00 0.00 H new ATOM 865 N CYS A 67 -6.835 -2.744 -0.004 1.00 0.00 N ATOM 866 CA CYS A 67 -5.583 -2.012 -0.046 1.00 0.00 C ATOM 867 C CYS A 67 -4.506 -2.755 0.722 1.00 0.00 C ATOM 868 O CYS A 67 -4.770 -3.330 1.775 1.00 0.00 O ATOM 869 CB CYS A 67 -5.767 -0.607 0.529 1.00 0.00 C ATOM 870 SG CYS A 67 -7.482 0.017 0.475 1.00 0.00 S ATOM 0 H CYS A 67 -7.158 -2.990 0.932 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.271 -1.926 -1.087 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -5.426 -0.605 1.564 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.126 0.083 -0.020 1.00 0.00 H new ATOM 875 N ALA A 68 -3.292 -2.742 0.196 1.00 0.00 N ATOM 876 CA ALA A 68 -2.182 -3.405 0.853 1.00 0.00 C ATOM 877 C ALA A 68 -1.269 -2.378 1.494 1.00 0.00 C ATOM 878 O ALA A 68 -0.854 -1.406 0.861 1.00 0.00 O ATOM 879 CB ALA A 68 -1.409 -4.282 -0.120 1.00 0.00 C ATOM 0 H ALA A 68 -3.052 -2.281 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.583 -4.054 1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.583 -4.765 0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.073 -5.042 -0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.016 -3.668 -0.930 1.00 0.00 H new ATOM 885 N LYS A 69 -0.983 -2.592 2.763 1.00 0.00 N ATOM 886 CA LYS A 69 -0.178 -1.668 3.544 1.00 0.00 C ATOM 887 C LYS A 69 1.296 -1.816 3.201 1.00 0.00 C ATOM 888 O LYS A 69 1.682 -2.756 2.513 1.00 0.00 O ATOM 889 CB LYS A 69 -0.396 -1.920 5.036 1.00 0.00 C ATOM 890 CG LYS A 69 -0.441 -3.395 5.407 1.00 0.00 C ATOM 891 CD LYS A 69 -1.868 -3.924 5.463 1.00 0.00 C ATOM 892 CE LYS A 69 -2.735 -3.116 6.408 1.00 0.00 C ATOM 893 NZ LYS A 69 -2.142 -3.013 7.762 1.00 0.00 N ATOM 0 H LYS A 69 -1.301 -3.410 3.283 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.487 -0.651 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.404 -1.437 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.330 -1.449 5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.131 -3.970 4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.038 -3.540 6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.303 -3.902 4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.856 -4.966 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.880 -2.116 6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.720 -3.577 6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.228 -2.035 8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.644 -3.652 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.137 -3.279 7.722 1.00 0.00 H new ATOM 907 N ALA A 70 2.111 -0.895 3.695 1.00 0.00 N ATOM 908 CA ALA A 70 3.548 -0.933 3.459 1.00 0.00 C ATOM 909 C ALA A 70 4.168 -2.213 4.015 1.00 0.00 C ATOM 910 O ALA A 70 5.172 -2.702 3.502 1.00 0.00 O ATOM 911 CB ALA A 70 4.213 0.285 4.070 1.00 0.00 C ATOM 0 H ALA A 70 1.800 -0.108 4.265 1.00 0.00 H new ATOM 0 HA ALA A 70 3.713 -0.923 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.287 0.244 3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.802 1.188 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.029 0.299 5.144 1.00 0.00 H new ATOM 917 N SER A 71 3.544 -2.766 5.046 1.00 0.00 N ATOM 918 CA SER A 71 4.016 -3.992 5.661 1.00 0.00 C ATOM 919 C SER A 71 3.706 -5.160 4.741 1.00 0.00 C ATOM 920 O SER A 71 4.436 -6.145 4.673 1.00 0.00 O ATOM 921 CB SER A 71 3.330 -4.175 7.012 1.00 0.00 C ATOM 922 OG SER A 71 2.267 -3.243 7.164 1.00 0.00 O ATOM 0 H SER A 71 2.703 -2.379 5.475 1.00 0.00 H new ATOM 0 HA SER A 71 5.093 -3.944 5.820 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.945 -5.191 7.096 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.055 -4.042 7.815 1.00 0.00 H new ATOM 0 HG SER A 71 1.590 -3.615 7.767 1.00 0.00 H new ATOM 928 N LEU A 72 2.619 -5.017 4.006 1.00 0.00 N ATOM 929 CA LEU A 72 2.193 -6.024 3.063 1.00 0.00 C ATOM 930 C LEU A 72 2.978 -5.897 1.765 1.00 0.00 C ATOM 931 O LEU A 72 3.175 -6.876 1.042 1.00 0.00 O ATOM 932 CB LEU A 72 0.697 -5.883 2.809 1.00 0.00 C ATOM 933 CG LEU A 72 -0.059 -7.201 2.790 1.00 0.00 C ATOM 934 CD1 LEU A 72 -1.551 -6.973 2.953 1.00 0.00 C ATOM 935 CD2 LEU A 72 0.241 -7.942 1.508 1.00 0.00 C ATOM 0 H LEU A 72 2.010 -4.200 4.049 1.00 0.00 H new ATOM 0 HA LEU A 72 2.387 -7.013 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.268 -5.242 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.548 -5.378 1.855 1.00 0.00 H new ATOM 0 HG LEU A 72 0.272 -7.810 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.070 -7.932 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.741 -6.474 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.915 -6.349 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.303 -8.887 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.069 -7.336 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.311 -8.139 1.443 1.00 0.00 H new ATOM 947 N ILE A 73 3.439 -4.689 1.478 1.00 0.00 N ATOM 948 CA ILE A 73 4.257 -4.457 0.302 1.00 0.00 C ATOM 949 C ILE A 73 5.576 -5.215 0.434 1.00 0.00 C ATOM 950 O ILE A 73 6.031 -5.858 -0.512 1.00 0.00 O ATOM 951 CB ILE A 73 4.530 -2.949 0.072 1.00 0.00 C ATOM 952 CG1 ILE A 73 3.216 -2.188 -0.139 1.00 0.00 C ATOM 953 CG2 ILE A 73 5.459 -2.742 -1.119 1.00 0.00 C ATOM 954 CD1 ILE A 73 2.285 -2.835 -1.146 1.00 0.00 C ATOM 0 H ILE A 73 3.260 -3.858 2.042 1.00 0.00 H new ATOM 0 HA ILE A 73 3.706 -4.824 -0.564 1.00 0.00 H new ATOM 0 HB ILE A 73 5.020 -2.555 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.699 -2.104 0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.444 -1.174 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.636 -1.676 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.407 -3.246 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.998 -3.156 -2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.378 -2.238 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.781 -2.895 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.025 -3.839 -0.809 1.00 0.00 H new ATOM 966 N ASP A 74 6.160 -5.164 1.626 1.00 0.00 N ATOM 967 CA ASP A 74 7.395 -5.893 1.920 1.00 0.00 C ATOM 968 C ASP A 74 7.127 -7.400 1.965 1.00 0.00 C ATOM 969 O ASP A 74 8.034 -8.213 1.782 1.00 0.00 O ATOM 970 CB ASP A 74 7.997 -5.389 3.248 1.00 0.00 C ATOM 971 CG ASP A 74 8.450 -6.494 4.195 1.00 0.00 C ATOM 972 OD1 ASP A 74 9.607 -6.956 4.078 1.00 0.00 O ATOM 973 OD2 ASP A 74 7.657 -6.887 5.077 1.00 0.00 O ATOM 0 H ASP A 74 5.798 -4.623 2.411 1.00 0.00 H new ATOM 0 HA ASP A 74 8.119 -5.709 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.849 -4.746 3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.257 -4.772 3.757 1.00 0.00 H new ATOM 978 N GLN A 75 5.867 -7.764 2.165 1.00 0.00 N ATOM 979 CA GLN A 75 5.482 -9.158 2.292 1.00 0.00 C ATOM 980 C GLN A 75 5.598 -9.893 0.962 1.00 0.00 C ATOM 981 O GLN A 75 6.262 -10.923 0.872 1.00 0.00 O ATOM 982 CB GLN A 75 4.042 -9.263 2.809 1.00 0.00 C ATOM 983 CG GLN A 75 3.888 -10.121 4.057 1.00 0.00 C ATOM 984 CD GLN A 75 5.000 -9.897 5.056 1.00 0.00 C ATOM 985 OE1 GLN A 75 5.630 -10.841 5.529 1.00 0.00 O ATOM 986 NE2 GLN A 75 5.239 -8.643 5.390 1.00 0.00 N ATOM 0 H GLN A 75 5.092 -7.106 2.243 1.00 0.00 H new ATOM 0 HA GLN A 75 6.164 -9.625 3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.671 -8.261 3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.413 -9.674 2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.930 -9.901 4.529 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.868 -11.173 3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.691 -7.891 4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.971 -8.426 6.066 1.00 0.00 H new ATOM 995 N LEU A 76 4.959 -9.364 -0.078 1.00 0.00 N ATOM 996 CA LEU A 76 4.873 -10.094 -1.337 1.00 0.00 C ATOM 997 C LEU A 76 5.118 -9.211 -2.557 1.00 0.00 C ATOM 998 O LEU A 76 5.186 -9.716 -3.679 1.00 0.00 O ATOM 999 CB LEU A 76 3.503 -10.762 -1.452 1.00 0.00 C ATOM 1000 CG LEU A 76 3.063 -11.537 -0.211 1.00 0.00 C ATOM 1001 CD1 LEU A 76 1.765 -10.979 0.343 1.00 0.00 C ATOM 1002 CD2 LEU A 76 2.912 -13.011 -0.524 1.00 0.00 C ATOM 0 H LEU A 76 4.502 -8.452 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 76 5.663 -10.844 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.758 -9.996 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.517 -11.443 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 76 3.837 -11.423 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.472 -11.547 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.905 -9.933 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.984 -11.056 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.598 -13.543 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.162 -13.142 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.867 -13.410 -0.867 1.00 0.00 H new ATOM 1014 N GLY A 77 5.253 -7.906 -2.354 1.00 0.00 N ATOM 1015 CA GLY A 77 5.456 -7.018 -3.483 1.00 0.00 C ATOM 1016 C GLY A 77 4.176 -6.787 -4.266 1.00 0.00 C ATOM 1017 O GLY A 77 4.142 -6.997 -5.476 1.00 0.00 O ATOM 0 H GLY A 77 5.226 -7.451 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.840 -6.062 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.213 -7.440 -4.144 1.00 0.00 H new ATOM 1021 N LEU A 78 3.116 -6.399 -3.556 1.00 0.00 N ATOM 1022 CA LEU A 78 1.793 -6.198 -4.154 1.00 0.00 C ATOM 1023 C LEU A 78 1.808 -5.085 -5.206 1.00 0.00 C ATOM 1024 O LEU A 78 1.436 -3.950 -4.929 1.00 0.00 O ATOM 1025 CB LEU A 78 0.777 -5.854 -3.056 1.00 0.00 C ATOM 1026 CG LEU A 78 -0.018 -7.035 -2.482 1.00 0.00 C ATOM 1027 CD1 LEU A 78 -1.370 -7.146 -3.162 1.00 0.00 C ATOM 1028 CD2 LEU A 78 0.756 -8.342 -2.617 1.00 0.00 C ATOM 0 H LEU A 78 3.149 -6.215 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 78 1.508 -7.125 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.307 -5.366 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.071 -5.127 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.175 -6.847 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.920 -7.988 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.935 -6.228 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.228 -7.302 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.166 -9.159 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.957 -8.539 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.699 -8.264 -2.076 1.00 0.00 H new ATOM 1040 N LEU A 79 2.200 -5.436 -6.426 1.00 0.00 N ATOM 1041 CA LEU A 79 2.367 -4.469 -7.515 1.00 0.00 C ATOM 1042 C LEU A 79 1.027 -3.943 -8.038 1.00 0.00 C ATOM 1043 O LEU A 79 0.991 -3.182 -9.003 1.00 0.00 O ATOM 1044 CB LEU A 79 3.145 -5.112 -8.672 1.00 0.00 C ATOM 1045 CG LEU A 79 3.026 -6.640 -8.783 1.00 0.00 C ATOM 1046 CD1 LEU A 79 1.758 -7.027 -9.529 1.00 0.00 C ATOM 1047 CD2 LEU A 79 4.250 -7.218 -9.476 1.00 0.00 C ATOM 0 H LEU A 79 2.412 -6.398 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 79 2.922 -3.623 -7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.802 -4.670 -9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.199 -4.854 -8.565 1.00 0.00 H new ATOM 0 HG LEU A 79 2.970 -7.055 -7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.693 -8.113 -9.597 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.889 -6.644 -8.993 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.782 -6.602 -10.532 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.150 -8.301 -9.547 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.335 -6.795 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.143 -6.973 -8.901 1.00 0.00 H new ATOM 1059 N ALA A 80 -0.063 -4.336 -7.396 1.00 0.00 N ATOM 1060 CA ALA A 80 -1.393 -3.970 -7.860 1.00 0.00 C ATOM 1061 C ALA A 80 -1.761 -2.546 -7.453 1.00 0.00 C ATOM 1062 O ALA A 80 -2.609 -1.913 -8.085 1.00 0.00 O ATOM 1063 CB ALA A 80 -2.426 -4.957 -7.335 1.00 0.00 C ATOM 0 H ALA A 80 -0.053 -4.909 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.386 -4.009 -8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.416 -4.671 -7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.187 -5.958 -7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.415 -4.950 -6.245 1.00 0.00 H new ATOM 1069 N LEU A 81 -1.121 -2.036 -6.406 1.00 0.00 N ATOM 1070 CA LEU A 81 -1.476 -0.724 -5.878 1.00 0.00 C ATOM 1071 C LEU A 81 -0.280 0.215 -5.795 1.00 0.00 C ATOM 1072 O LEU A 81 -0.435 1.386 -5.442 1.00 0.00 O ATOM 1073 CB LEU A 81 -2.093 -0.855 -4.492 1.00 0.00 C ATOM 1074 CG LEU A 81 -1.956 -2.228 -3.852 1.00 0.00 C ATOM 1075 CD1 LEU A 81 -1.045 -2.169 -2.637 1.00 0.00 C ATOM 1076 CD2 LEU A 81 -3.328 -2.752 -3.490 1.00 0.00 C ATOM 0 H LEU A 81 -0.362 -2.505 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.197 -0.297 -6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.632 -0.117 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.152 -0.606 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.498 -2.914 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.962 -3.162 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.057 -1.823 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.462 -1.480 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.232 -3.736 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.805 -2.069 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.937 -2.829 -4.391 1.00 0.00 H new ATOM 1088 N VAL A 82 0.909 -0.280 -6.110 1.00 0.00 N ATOM 1089 CA VAL A 82 2.098 0.550 -5.996 1.00 0.00 C ATOM 1090 C VAL A 82 2.747 0.788 -7.340 1.00 0.00 C ATOM 1091 O VAL A 82 2.850 -0.115 -8.176 1.00 0.00 O ATOM 1092 CB VAL A 82 3.158 -0.034 -5.030 1.00 0.00 C ATOM 1093 CG1 VAL A 82 3.544 0.990 -3.976 1.00 0.00 C ATOM 1094 CG2 VAL A 82 2.664 -1.306 -4.366 1.00 0.00 C ATOM 0 H VAL A 82 1.074 -1.231 -6.439 1.00 0.00 H new ATOM 0 HA VAL A 82 1.743 1.495 -5.585 1.00 0.00 H new ATOM 0 HB VAL A 82 4.039 -0.282 -5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.290 0.560 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.958 1.874 -4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.661 1.272 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.433 -1.688 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.760 -1.092 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.444 -2.053 -5.129 1.00 0.00 H new ATOM 1104 N ASP A 83 3.171 2.017 -7.542 1.00 0.00 N ATOM 1105 CA ASP A 83 3.888 2.392 -8.741 1.00 0.00 C ATOM 1106 C ASP A 83 5.317 2.747 -8.360 1.00 0.00 C ATOM 1107 O ASP A 83 5.576 3.125 -7.216 1.00 0.00 O ATOM 1108 CB ASP A 83 3.189 3.562 -9.441 1.00 0.00 C ATOM 1109 CG ASP A 83 3.657 3.739 -10.874 1.00 0.00 C ATOM 1110 OD1 ASP A 83 3.740 2.726 -11.603 1.00 0.00 O ATOM 1111 OD2 ASP A 83 3.924 4.884 -11.281 1.00 0.00 O ATOM 0 H ASP A 83 3.029 2.782 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 83 3.902 1.559 -9.444 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.112 3.397 -9.431 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.376 4.480 -8.884 1.00 0.00 H new ATOM 1116 N HIS A 84 6.251 2.596 -9.279 1.00 0.00 N ATOM 1117 CA HIS A 84 7.648 2.797 -8.944 1.00 0.00 C ATOM 1118 C HIS A 84 8.261 3.940 -9.728 1.00 0.00 C ATOM 1119 O HIS A 84 8.570 3.805 -10.910 1.00 0.00 O ATOM 1120 CB HIS A 84 8.445 1.516 -9.161 1.00 0.00 C ATOM 1121 CG HIS A 84 8.885 0.890 -7.879 1.00 0.00 C ATOM 1122 ND1 HIS A 84 9.895 1.408 -7.101 1.00 0.00 N ATOM 1123 CD2 HIS A 84 8.409 -0.185 -7.210 1.00 0.00 C ATOM 1124 CE1 HIS A 84 10.031 0.672 -6.017 1.00 0.00 C ATOM 1125 NE2 HIS A 84 9.139 -0.301 -6.055 1.00 0.00 N ATOM 0 H HIS A 84 6.073 2.339 -10.250 1.00 0.00 H new ATOM 0 HA HIS A 84 7.690 3.064 -7.888 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.837 0.804 -9.719 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.320 1.736 -9.773 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.604 -0.832 -7.527 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.751 0.837 -5.229 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.014 -1.020 -5.343 1.00 0.00 H new ATOM 1134 N THR A 85 8.423 5.064 -9.057 1.00 0.00 N ATOM 1135 CA THR A 85 9.092 6.211 -9.636 1.00 0.00 C ATOM 1136 C THR A 85 10.493 6.334 -9.042 1.00 0.00 C ATOM 1137 O THR A 85 10.966 5.413 -8.370 1.00 0.00 O ATOM 1138 CB THR A 85 8.299 7.506 -9.384 1.00 0.00 C ATOM 1139 OG1 THR A 85 8.165 7.733 -7.975 1.00 0.00 O ATOM 1140 CG2 THR A 85 6.921 7.433 -10.021 1.00 0.00 C ATOM 0 H THR A 85 8.097 5.207 -8.101 1.00 0.00 H new ATOM 0 HA THR A 85 9.159 6.064 -10.714 1.00 0.00 H new ATOM 0 HB THR A 85 8.847 8.332 -9.836 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.737 8.483 -7.709 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.381 8.360 -9.828 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.024 7.290 -11.097 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.367 6.596 -9.596 1.00 0.00 H new ATOM 1148 N GLU A 86 11.152 7.460 -9.291 1.00 0.00 N ATOM 1149 CA GLU A 86 12.497 7.699 -8.768 1.00 0.00 C ATOM 1150 C GLU A 86 12.482 7.806 -7.241 1.00 0.00 C ATOM 1151 O GLU A 86 13.495 7.560 -6.581 1.00 0.00 O ATOM 1152 CB GLU A 86 13.098 8.982 -9.362 1.00 0.00 C ATOM 1153 CG GLU A 86 12.228 9.651 -10.417 1.00 0.00 C ATOM 1154 CD GLU A 86 12.282 8.942 -11.754 1.00 0.00 C ATOM 1155 OE1 GLU A 86 13.311 9.055 -12.450 1.00 0.00 O ATOM 1156 OE2 GLU A 86 11.295 8.271 -12.116 1.00 0.00 O ATOM 0 H GLU A 86 10.778 8.225 -9.853 1.00 0.00 H new ATOM 0 HA GLU A 86 13.114 6.849 -9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.280 9.691 -8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.066 8.745 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.196 9.679 -10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.549 10.685 -10.545 1.00 0.00 H new ATOM 1163 N GLU A 87 11.336 8.190 -6.691 1.00 0.00 N ATOM 1164 CA GLU A 87 11.182 8.315 -5.244 1.00 0.00 C ATOM 1165 C GLU A 87 11.153 6.949 -4.571 1.00 0.00 C ATOM 1166 O GLU A 87 11.610 6.791 -3.438 1.00 0.00 O ATOM 1167 CB GLU A 87 9.905 9.089 -4.909 1.00 0.00 C ATOM 1168 CG GLU A 87 9.878 10.489 -5.486 1.00 0.00 C ATOM 1169 CD GLU A 87 8.952 10.591 -6.674 1.00 0.00 C ATOM 1170 OE1 GLU A 87 9.305 10.060 -7.744 1.00 0.00 O ATOM 1171 OE2 GLU A 87 7.863 11.179 -6.535 1.00 0.00 O ATOM 0 H GLU A 87 10.498 8.421 -7.225 1.00 0.00 H new ATOM 0 HA GLU A 87 12.044 8.864 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.045 8.534 -5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.800 9.149 -3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.560 11.193 -4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.886 10.778 -5.785 1.00 0.00 H new ATOM 1178 N GLY A 88 10.625 5.963 -5.270 1.00 0.00 N ATOM 1179 CA GLY A 88 10.527 4.636 -4.707 1.00 0.00 C ATOM 1180 C GLY A 88 9.136 4.063 -4.859 1.00 0.00 C ATOM 1181 O GLY A 88 8.471 4.320 -5.863 1.00 0.00 O ATOM 0 H GLY A 88 10.262 6.056 -6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.246 3.979 -5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.793 4.669 -3.651 1.00 0.00 H new ATOM 1185 N PRO A 89 8.672 3.260 -3.889 1.00 0.00 N ATOM 1186 CA PRO A 89 7.311 2.729 -3.880 1.00 0.00 C ATOM 1187 C PRO A 89 6.298 3.803 -3.491 1.00 0.00 C ATOM 1188 O PRO A 89 6.244 4.235 -2.337 1.00 0.00 O ATOM 1189 CB PRO A 89 7.349 1.619 -2.816 1.00 0.00 C ATOM 1190 CG PRO A 89 8.786 1.468 -2.438 1.00 0.00 C ATOM 1191 CD PRO A 89 9.429 2.792 -2.726 1.00 0.00 C ATOM 0 HA PRO A 89 7.005 2.368 -4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.743 1.886 -1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.948 0.685 -3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.887 1.206 -1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.259 0.671 -3.012 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.344 3.477 -1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.491 2.689 -2.947 1.00 0.00 H new ATOM 1199 N VAL A 90 5.515 4.238 -4.463 1.00 0.00 N ATOM 1200 CA VAL A 90 4.517 5.269 -4.242 1.00 0.00 C ATOM 1201 C VAL A 90 3.137 4.750 -4.623 1.00 0.00 C ATOM 1202 O VAL A 90 3.022 3.752 -5.340 1.00 0.00 O ATOM 1203 CB VAL A 90 4.833 6.542 -5.054 1.00 0.00 C ATOM 1204 CG1 VAL A 90 5.802 7.430 -4.287 1.00 0.00 C ATOM 1205 CG2 VAL A 90 5.397 6.184 -6.422 1.00 0.00 C ATOM 0 H VAL A 90 5.553 3.889 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 90 4.533 5.526 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 90 3.905 7.093 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.016 8.325 -4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.356 7.717 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.728 6.885 -4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.612 7.097 -6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.315 5.610 -6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.668 5.589 -6.972 1.00 0.00 H new ATOM 1215 N CYS A 91 2.091 5.420 -4.156 1.00 0.00 N ATOM 1216 CA CYS A 91 0.729 4.980 -4.419 1.00 0.00 C ATOM 1217 C CYS A 91 0.400 5.118 -5.899 1.00 0.00 C ATOM 1218 O CYS A 91 0.536 6.195 -6.480 1.00 0.00 O ATOM 1219 CB CYS A 91 -0.265 5.785 -3.580 1.00 0.00 C ATOM 1220 SG CYS A 91 -0.955 4.867 -2.162 1.00 0.00 S ATOM 0 H CYS A 91 2.161 6.269 -3.594 1.00 0.00 H new ATOM 0 HA CYS A 91 0.649 3.929 -4.141 1.00 0.00 H new ATOM 0 HB2 CYS A 91 0.230 6.683 -3.212 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -1.084 6.112 -4.221 1.00 0.00 H new ATOM 1225 N LYS A 92 -0.014 4.010 -6.504 1.00 0.00 N ATOM 1226 CA LYS A 92 -0.360 3.975 -7.921 1.00 0.00 C ATOM 1227 C LYS A 92 -1.654 4.724 -8.179 1.00 0.00 C ATOM 1228 O LYS A 92 -1.905 5.188 -9.288 1.00 0.00 O ATOM 1229 CB LYS A 92 -0.527 2.528 -8.376 1.00 0.00 C ATOM 1230 CG LYS A 92 0.015 2.245 -9.764 1.00 0.00 C ATOM 1231 CD LYS A 92 0.428 0.792 -9.894 1.00 0.00 C ATOM 1232 CE LYS A 92 1.053 0.493 -11.247 1.00 0.00 C ATOM 1233 NZ LYS A 92 2.536 0.414 -11.155 1.00 0.00 N ATOM 0 H LYS A 92 -0.119 3.114 -6.028 1.00 0.00 H new ATOM 0 HA LYS A 92 0.445 4.453 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.025 1.875 -7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.586 2.272 -8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.743 2.480 -10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.870 2.890 -9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.138 0.546 -9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.444 0.154 -9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.660 -0.449 -11.631 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.772 1.269 -11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.894 -0.247 -11.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.945 1.357 -11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.808 0.077 -10.209 1.00 0.00 H new ATOM 1247 N ASN A 93 -2.469 4.830 -7.145 1.00 0.00 N ATOM 1248 CA ASN A 93 -3.795 5.414 -7.275 1.00 0.00 C ATOM 1249 C ASN A 93 -4.257 6.028 -5.958 1.00 0.00 C ATOM 1250 O ASN A 93 -3.909 7.159 -5.635 1.00 0.00 O ATOM 1251 CB ASN A 93 -4.803 4.352 -7.737 1.00 0.00 C ATOM 1252 CG ASN A 93 -5.266 4.556 -9.167 1.00 0.00 C ATOM 1253 OD1 ASN A 93 -6.363 5.057 -9.416 1.00 0.00 O ATOM 1254 ND2 ASN A 93 -4.435 4.155 -10.112 1.00 0.00 N ATOM 0 H ASN A 93 -2.236 4.519 -6.202 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.740 6.205 -8.023 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.350 3.365 -7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.669 4.368 -7.075 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.693 4.255 -11.094 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.536 3.745 -9.860 1.00 0.00 H new ATOM 1261 N ILE A 94 -5.014 5.260 -5.184 1.00 0.00 N ATOM 1262 CA ILE A 94 -5.645 5.772 -3.973 1.00 0.00 C ATOM 1263 C ILE A 94 -4.775 5.538 -2.746 1.00 0.00 C ATOM 1264 O ILE A 94 -4.205 4.460 -2.577 1.00 0.00 O ATOM 1265 CB ILE A 94 -7.019 5.106 -3.727 1.00 0.00 C ATOM 1266 CG1 ILE A 94 -7.606 4.549 -5.028 1.00 0.00 C ATOM 1267 CG2 ILE A 94 -7.987 6.091 -3.093 1.00 0.00 C ATOM 1268 CD1 ILE A 94 -8.716 3.539 -4.806 1.00 0.00 C ATOM 0 H ILE A 94 -5.207 4.277 -5.374 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.778 6.843 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.866 4.274 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.991 5.375 -5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.809 4.081 -5.606 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.947 5.603 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.585 6.433 -2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.123 6.945 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.085 3.186 -5.769 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -8.331 2.695 -4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.531 4.009 -4.255 1.00 0.00 H new ATOM 1280 N VAL A 95 -4.676 6.545 -1.891 1.00 0.00 N ATOM 1281 CA VAL A 95 -4.002 6.392 -0.610 1.00 0.00 C ATOM 1282 C VAL A 95 -5.041 6.130 0.484 1.00 0.00 C ATOM 1283 O VAL A 95 -6.040 6.849 0.595 1.00 0.00 O ATOM 1284 CB VAL A 95 -3.128 7.630 -0.259 1.00 0.00 C ATOM 1285 CG1 VAL A 95 -3.791 8.924 -0.714 1.00 0.00 C ATOM 1286 CG2 VAL A 95 -2.809 7.684 1.233 1.00 0.00 C ATOM 0 H VAL A 95 -5.054 7.477 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.325 5.540 -0.680 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.187 7.524 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.155 9.770 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.937 8.898 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.757 9.031 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.197 8.561 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.737 7.745 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.265 6.785 1.522 1.00 0.00 H new ATOM 1296 N ALA A 96 -4.823 5.086 1.273 1.00 0.00 N ATOM 1297 CA ALA A 96 -5.799 4.675 2.273 1.00 0.00 C ATOM 1298 C ALA A 96 -5.119 4.231 3.563 1.00 0.00 C ATOM 1299 O ALA A 96 -3.920 3.959 3.584 1.00 0.00 O ATOM 1300 CB ALA A 96 -6.662 3.553 1.721 1.00 0.00 C ATOM 0 H ALA A 96 -3.982 4.510 1.240 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.429 5.534 2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.390 3.250 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.185 3.901 0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.031 2.702 1.463 1.00 0.00 H new ATOM 1306 N CYS A 97 -5.893 4.156 4.636 1.00 0.00 N ATOM 1307 CA CYS A 97 -5.378 3.700 5.920 1.00 0.00 C ATOM 1308 C CYS A 97 -5.953 2.331 6.260 1.00 0.00 C ATOM 1309 O CYS A 97 -7.144 2.201 6.552 1.00 0.00 O ATOM 1310 CB CYS A 97 -5.718 4.703 7.023 1.00 0.00 C ATOM 1311 SG CYS A 97 -4.307 5.137 8.103 1.00 0.00 S ATOM 0 H CYS A 97 -6.882 4.405 4.643 1.00 0.00 H new ATOM 0 HA CYS A 97 -4.293 3.620 5.848 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -6.103 5.614 6.564 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -6.519 4.292 7.638 1.00 0.00 H new ATOM 1316 N CYS A 98 -5.100 1.316 6.199 1.00 0.00 N ATOM 1317 CA CYS A 98 -5.499 -0.056 6.490 1.00 0.00 C ATOM 1318 C CYS A 98 -4.863 -0.532 7.786 1.00 0.00 C ATOM 1319 O CYS A 98 -3.640 -0.641 7.870 1.00 0.00 O ATOM 1320 CB CYS A 98 -5.058 -0.998 5.370 1.00 0.00 C ATOM 1321 SG CYS A 98 -6.009 -0.867 3.835 1.00 0.00 S ATOM 0 H CYS A 98 -4.117 1.419 5.948 1.00 0.00 H new ATOM 0 HA CYS A 98 -6.585 -0.069 6.578 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -4.009 -0.805 5.146 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -5.123 -2.024 5.733 1.00 0.00 H new ATOM 1326 N PRO A 99 -5.663 -0.845 8.805 1.00 0.00 N ATOM 1327 CA PRO A 99 -5.147 -1.360 10.074 1.00 0.00 C ATOM 1328 C PRO A 99 -4.731 -2.832 9.968 1.00 0.00 C ATOM 1329 O PRO A 99 -5.455 -3.648 9.402 1.00 0.00 O ATOM 1330 CB PRO A 99 -6.341 -1.199 11.018 1.00 0.00 C ATOM 1331 CG PRO A 99 -7.540 -1.308 10.138 1.00 0.00 C ATOM 1332 CD PRO A 99 -7.137 -0.720 8.810 1.00 0.00 C ATOM 0 HA PRO A 99 -4.251 -0.837 10.406 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -6.344 -1.971 11.788 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.313 -0.238 11.531 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -7.849 -2.347 10.027 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.386 -0.768 10.563 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.588 -1.262 7.979 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.451 0.320 8.720 1.00 0.00 H new ATOM 1340 N GLU A 100 -3.547 -3.174 10.473 1.00 0.00 N ATOM 1341 CA GLU A 100 -3.121 -4.570 10.471 1.00 0.00 C ATOM 1342 C GLU A 100 -3.791 -5.323 11.613 1.00 0.00 C ATOM 1343 O GLU A 100 -3.642 -4.959 12.781 1.00 0.00 O ATOM 1344 CB GLU A 100 -1.597 -4.691 10.569 1.00 0.00 C ATOM 1345 CG GLU A 100 -1.032 -5.863 9.772 1.00 0.00 C ATOM 1346 CD GLU A 100 -0.194 -5.424 8.587 1.00 0.00 C ATOM 1347 OE1 GLU A 100 0.068 -4.208 8.452 1.00 0.00 O ATOM 1348 OE2 GLU A 100 0.186 -6.287 7.772 1.00 0.00 O ATOM 0 H GLU A 100 -2.879 -2.519 10.880 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.427 -5.015 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.142 -3.766 10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.315 -4.803 11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.424 -6.483 10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.854 -6.485 9.418 1.00 0.00 H new ATOM 1355 N GLY A 101 -4.550 -6.349 11.269 1.00 0.00 N ATOM 1356 CA GLY A 101 -5.250 -7.123 12.271 1.00 0.00 C ATOM 1357 C GLY A 101 -6.660 -7.461 11.845 1.00 0.00 C ATOM 1358 O GLY A 101 -7.060 -8.622 11.891 1.00 0.00 O ATOM 0 H GLY A 101 -4.695 -6.662 10.309 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.700 -8.044 12.467 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.278 -6.564 13.206 1.00 0.00 H new ATOM 1362 N THR A 102 -7.416 -6.439 11.442 1.00 0.00 N ATOM 1363 CA THR A 102 -8.789 -6.622 10.990 1.00 0.00 C ATOM 1364 C THR A 102 -9.435 -5.271 10.678 1.00 0.00 C ATOM 1365 O THR A 102 -8.817 -4.223 10.881 1.00 0.00 O ATOM 1366 CB THR A 102 -9.632 -7.387 12.042 1.00 0.00 C ATOM 1367 OG1 THR A 102 -10.825 -7.912 11.444 1.00 0.00 O ATOM 1368 CG2 THR A 102 -9.998 -6.499 13.223 1.00 0.00 C ATOM 0 H THR A 102 -7.095 -5.471 11.421 1.00 0.00 H new ATOM 0 HA THR A 102 -8.761 -7.220 10.079 1.00 0.00 H new ATOM 0 HB THR A 102 -9.020 -8.210 12.412 1.00 0.00 H new ATOM 0 HG1 THR A 102 -11.345 -8.394 12.121 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.589 -7.071 13.939 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.088 -6.143 13.706 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.580 -5.647 12.871 1.00 0.00 H new ATOM 1376 N THR A 103 -10.680 -5.320 10.205 1.00 0.00 N ATOM 1377 CA THR A 103 -11.477 -4.134 9.864 1.00 0.00 C ATOM 1378 C THR A 103 -11.053 -3.506 8.539 1.00 0.00 C ATOM 1379 O THR A 103 -9.942 -3.710 8.050 1.00 0.00 O ATOM 1380 CB THR A 103 -11.465 -3.058 10.981 1.00 0.00 C ATOM 1381 OG1 THR A 103 -11.328 -3.671 12.267 1.00 0.00 O ATOM 1382 CG2 THR A 103 -12.747 -2.238 10.965 1.00 0.00 C ATOM 0 H THR A 103 -11.174 -6.198 10.044 1.00 0.00 H new ATOM 0 HA THR A 103 -12.498 -4.501 9.760 1.00 0.00 H new ATOM 0 HB THR A 103 -10.616 -2.401 10.792 1.00 0.00 H new ATOM 0 HG1 THR A 103 -12.089 -4.267 12.428 1.00 0.00 H new ATOM 0 HG21 THR A 103 -12.711 -1.491 11.758 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.848 -1.739 10.001 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.602 -2.896 11.124 1.00 0.00 H new ATOM 1390 N ASN A 104 -11.987 -2.758 7.962 1.00 0.00 N ATOM 1391 CA ASN A 104 -11.824 -2.155 6.643 1.00 0.00 C ATOM 1392 C ASN A 104 -10.892 -0.953 6.682 1.00 0.00 C ATOM 1393 O ASN A 104 -10.459 -0.517 7.749 1.00 0.00 O ATOM 1394 CB ASN A 104 -13.191 -1.724 6.098 1.00 0.00 C ATOM 1395 CG ASN A 104 -14.197 -1.430 7.194 1.00 0.00 C ATOM 1396 OD1 ASN A 104 -14.829 -2.336 7.735 1.00 0.00 O ATOM 1397 ND2 ASN A 104 -14.355 -0.163 7.530 1.00 0.00 N ATOM 0 H ASN A 104 -12.885 -2.551 8.399 1.00 0.00 H new ATOM 0 HA ASN A 104 -11.379 -2.905 5.989 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -13.066 -0.836 5.479 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.584 -2.510 5.453 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -15.019 0.092 8.261 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -13.813 0.561 7.059 1.00 0.00 H new ATOM 1404 N CYS A 105 -10.616 -0.402 5.510 1.00 0.00 N ATOM 1405 CA CYS A 105 -9.714 0.725 5.388 1.00 0.00 C ATOM 1406 C CYS A 105 -10.464 1.975 4.964 1.00 0.00 C ATOM 1407 O CYS A 105 -11.376 1.919 4.137 1.00 0.00 O ATOM 1408 CB CYS A 105 -8.650 0.426 4.334 1.00 0.00 C ATOM 1409 SG CYS A 105 -7.906 -1.223 4.443 1.00 0.00 S ATOM 0 H CYS A 105 -11.009 -0.723 4.625 1.00 0.00 H new ATOM 0 HA CYS A 105 -9.252 0.890 6.361 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -9.096 0.542 3.346 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -7.859 1.171 4.416 1.00 0.00 H new ATOM 1414 N VAL A 106 -10.067 3.104 5.521 1.00 0.00 N ATOM 1415 CA VAL A 106 -10.623 4.380 5.121 1.00 0.00 C ATOM 1416 C VAL A 106 -9.767 4.987 4.010 1.00 0.00 C ATOM 1417 O VAL A 106 -8.540 4.891 4.038 1.00 0.00 O ATOM 1418 CB VAL A 106 -10.734 5.355 6.322 1.00 0.00 C ATOM 1419 CG1 VAL A 106 -11.272 4.631 7.548 1.00 0.00 C ATOM 1420 CG2 VAL A 106 -9.393 6.016 6.643 1.00 0.00 C ATOM 0 H VAL A 106 -9.360 3.162 6.254 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.633 4.212 4.746 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.432 6.143 6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.343 5.330 8.381 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.260 4.227 7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.598 3.817 7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.514 6.691 7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.660 5.249 6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.048 6.580 5.776 1.00 0.00 H new ATOM 1430 N ALA A 107 -10.414 5.572 3.017 1.00 0.00 N ATOM 1431 CA ALA A 107 -9.702 6.191 1.910 1.00 0.00 C ATOM 1432 C ALA A 107 -9.586 7.688 2.139 1.00 0.00 C ATOM 1433 O ALA A 107 -10.578 8.358 2.426 1.00 0.00 O ATOM 1434 CB ALA A 107 -10.399 5.898 0.589 1.00 0.00 C ATOM 0 H ALA A 107 -11.430 5.632 2.954 1.00 0.00 H new ATOM 0 HA ALA A 107 -8.699 5.768 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -9.849 6.371 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -10.433 4.821 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.415 6.293 0.618 1.00 0.00 H new ATOM 1440 N VAL A 108 -8.374 8.208 2.025 1.00 0.00 N ATOM 1441 CA VAL A 108 -8.132 9.627 2.264 1.00 0.00 C ATOM 1442 C VAL A 108 -8.177 10.407 0.964 1.00 0.00 C ATOM 1443 O VAL A 108 -7.877 11.597 0.917 1.00 0.00 O ATOM 1444 CB VAL A 108 -6.789 9.882 2.980 1.00 0.00 C ATOM 1445 CG1 VAL A 108 -6.983 10.863 4.129 1.00 0.00 C ATOM 1446 CG2 VAL A 108 -6.192 8.578 3.486 1.00 0.00 C ATOM 0 H VAL A 108 -7.544 7.673 1.770 1.00 0.00 H new ATOM 0 HA VAL A 108 -8.929 9.973 2.922 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.093 10.318 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.028 11.035 4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.365 11.807 3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.695 10.450 4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -5.246 8.781 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.882 8.111 4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.020 7.906 2.645 1.00 0.00 H new ATOM 1456 N ASP A 109 -8.560 9.712 -0.084 1.00 0.00 N ATOM 1457 CA ASP A 109 -8.812 10.328 -1.370 1.00 0.00 C ATOM 1458 C ASP A 109 -10.243 10.034 -1.768 1.00 0.00 C ATOM 1459 O ASP A 109 -10.761 8.951 -1.489 1.00 0.00 O ATOM 1460 CB ASP A 109 -7.852 9.812 -2.446 1.00 0.00 C ATOM 1461 CG ASP A 109 -8.373 10.063 -3.853 1.00 0.00 C ATOM 1462 OD1 ASP A 109 -8.672 11.234 -4.188 1.00 0.00 O ATOM 1463 OD2 ASP A 109 -8.507 9.095 -4.622 1.00 0.00 O ATOM 0 H ASP A 109 -8.706 8.703 -0.070 1.00 0.00 H new ATOM 0 HA ASP A 109 -8.650 11.402 -1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.883 10.297 -2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.693 8.743 -2.305 1.00 0.00 H new ATOM 1468 N ASN A 110 -10.882 11.003 -2.386 1.00 0.00 N ATOM 1469 CA ASN A 110 -12.265 10.866 -2.787 1.00 0.00 C ATOM 1470 C ASN A 110 -12.477 11.534 -4.134 1.00 0.00 C ATOM 1471 O ASN A 110 -13.603 11.872 -4.507 1.00 0.00 O ATOM 1472 CB ASN A 110 -13.181 11.489 -1.728 1.00 0.00 C ATOM 1473 CG ASN A 110 -13.944 10.448 -0.932 1.00 0.00 C ATOM 1474 OD1 ASN A 110 -15.174 10.439 -0.926 1.00 0.00 O ATOM 1475 ND2 ASN A 110 -13.226 9.560 -0.255 1.00 0.00 N ATOM 0 H ASN A 110 -10.462 11.902 -2.623 1.00 0.00 H new ATOM 0 HA ASN A 110 -12.511 9.808 -2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -12.583 12.095 -1.047 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.889 12.160 -2.215 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -13.693 8.839 0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -12.207 9.599 -0.284 1.00 0.00 H new ATOM 1482 N ALA A 111 -11.386 11.724 -4.867 1.00 0.00 N ATOM 1483 CA ALA A 111 -11.443 12.405 -6.150 1.00 0.00 C ATOM 1484 C ALA A 111 -10.621 11.673 -7.202 1.00 0.00 C ATOM 1485 O ALA A 111 -11.024 11.581 -8.361 1.00 0.00 O ATOM 1486 CB ALA A 111 -10.952 13.839 -6.002 1.00 0.00 C ATOM 0 H ALA A 111 -10.453 11.415 -4.593 1.00 0.00 H new ATOM 0 HA ALA A 111 -12.481 12.414 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -10.998 14.341 -6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.583 14.368 -5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.923 13.836 -5.644 1.00 0.00 H new ATOM 1492 N GLY A 112 -9.481 11.139 -6.787 1.00 0.00 N ATOM 1493 CA GLY A 112 -8.582 10.489 -7.716 1.00 0.00 C ATOM 1494 C GLY A 112 -7.647 11.484 -8.365 1.00 0.00 C ATOM 1495 O GLY A 112 -7.584 11.583 -9.594 1.00 0.00 O ATOM 0 H GLY A 112 -9.162 11.145 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -8.001 9.730 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.159 9.975 -8.484 1.00 0.00 H new ATOM 1499 N ALA A 113 -6.933 12.233 -7.543 1.00 0.00 N ATOM 1500 CA ALA A 113 -6.021 13.251 -8.035 1.00 0.00 C ATOM 1501 C ALA A 113 -4.578 12.864 -7.739 1.00 0.00 C ATOM 1502 O ALA A 113 -4.324 11.820 -7.143 1.00 0.00 O ATOM 1503 CB ALA A 113 -6.350 14.599 -7.410 1.00 0.00 C ATOM 0 H ALA A 113 -6.968 12.155 -6.527 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.139 13.330 -9.116 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -5.659 15.353 -7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -7.371 14.880 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.256 14.530 -6.326 1.00 0.00 H new ATOM 1509 N GLY A 114 -3.645 13.706 -8.157 1.00 0.00 N ATOM 1510 CA GLY A 114 -2.241 13.434 -7.928 1.00 0.00 C ATOM 1511 C GLY A 114 -1.823 13.732 -6.503 1.00 0.00 C ATOM 1512 O GLY A 114 -1.273 14.798 -6.223 1.00 0.00 O ATOM 0 H GLY A 114 -3.836 14.577 -8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -2.034 12.388 -8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -1.641 14.033 -8.613 1.00 0.00 H new ATOM 1516 N THR A 115 -2.097 12.802 -5.602 1.00 0.00 N ATOM 1517 CA THR A 115 -1.733 12.951 -4.208 1.00 0.00 C ATOM 1518 C THR A 115 -0.259 12.628 -3.993 1.00 0.00 C ATOM 1519 O THR A 115 0.090 11.519 -3.590 1.00 0.00 O ATOM 1520 CB THR A 115 -2.588 12.031 -3.321 1.00 0.00 C ATOM 1521 OG1 THR A 115 -3.479 11.259 -4.141 1.00 0.00 O ATOM 1522 CG2 THR A 115 -3.382 12.841 -2.312 1.00 0.00 C ATOM 0 H THR A 115 -2.576 11.928 -5.818 1.00 0.00 H new ATOM 0 HA THR A 115 -1.915 13.989 -3.930 1.00 0.00 H new ATOM 0 HB THR A 115 -1.925 11.360 -2.775 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.021 10.673 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.979 12.169 -1.695 1.00 0.00 H new ATOM 0 HG22 THR A 115 -2.697 13.403 -1.677 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.040 13.533 -2.838 1.00 0.00 H new ATOM 1530 N LYS A 116 0.599 13.594 -4.298 1.00 0.00 N ATOM 1531 CA LYS A 116 2.033 13.443 -4.076 1.00 0.00 C ATOM 1532 C LYS A 116 2.722 14.802 -4.149 1.00 0.00 C ATOM 1533 O LYS A 116 3.884 14.902 -4.551 1.00 0.00 O ATOM 1534 CB LYS A 116 2.645 12.499 -5.120 1.00 0.00 C ATOM 1535 CG LYS A 116 3.101 11.163 -4.548 1.00 0.00 C ATOM 1536 CD LYS A 116 4.485 10.776 -5.055 1.00 0.00 C ATOM 1537 CE LYS A 116 4.472 10.463 -6.545 1.00 0.00 C ATOM 1538 NZ LYS A 116 5.380 11.358 -7.310 1.00 0.00 N ATOM 0 H LYS A 116 0.327 14.491 -4.700 1.00 0.00 H new ATOM 0 HA LYS A 116 2.182 13.016 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 116 1.911 12.316 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 116 3.496 12.993 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 116 3.115 11.219 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.384 10.388 -4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.184 11.589 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 116 4.845 9.907 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 116 4.770 9.426 -6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 116 3.456 10.564 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 5.126 11.330 -8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 5.287 12.332 -6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 6.363 11.039 -7.191 1.00 0.00 H new ATOM 1552 N ALA A 117 1.995 15.851 -3.777 1.00 0.00 N ATOM 1553 CA ALA A 117 2.507 17.212 -3.890 1.00 0.00 C ATOM 1554 C ALA A 117 2.528 17.921 -2.538 1.00 0.00 C ATOM 1555 O ALA A 117 1.634 17.730 -1.709 1.00 0.00 O ATOM 1556 CB ALA A 117 1.680 18.002 -4.889 1.00 0.00 C ATOM 0 H ALA A 117 1.051 15.785 -3.395 1.00 0.00 H new ATOM 0 HA ALA A 117 3.536 17.152 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.072 19.016 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.731 17.520 -5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.643 18.038 -4.555 1.00 0.00 H new ATOM 1562 N GLU A 118 3.552 18.742 -2.335 1.00 0.00 N ATOM 1563 CA GLU A 118 3.700 19.538 -1.123 1.00 0.00 C ATOM 1564 C GLU A 118 4.638 20.710 -1.409 1.00 0.00 C ATOM 1565 O GLU A 118 5.520 20.557 -2.282 1.00 0.00 O ATOM 1566 CB GLU A 118 4.236 18.667 0.030 1.00 0.00 C ATOM 1567 CG GLU A 118 5.070 19.424 1.053 1.00 0.00 C ATOM 1568 CD GLU A 118 4.514 19.332 2.459 1.00 0.00 C ATOM 1569 OE1 GLU A 118 3.284 19.450 2.629 1.00 0.00 O ATOM 1570 OE2 GLU A 118 5.315 19.161 3.404 1.00 0.00 O ATOM 1571 OXT GLU A 118 4.476 21.786 -0.794 1.00 0.00 O ATOM 0 H GLU A 118 4.306 18.875 -3.009 1.00 0.00 H new ATOM 0 HA GLU A 118 2.729 19.927 -0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.393 18.201 0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.840 17.862 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 118 6.087 19.033 1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 118 5.129 20.472 0.760 1.00 0.00 H new TER 1578 GLU A 118