USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 864 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 70 ASN : amide:sc= -0.832 X(o=-0.83,f=-0.58!) USER MOD Set 1.2: A 101 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 22 SER OG : rot -139:sc= 0.205 USER MOD Set 2.2: A 60 ASN : amide:sc= -4.83! K(o=-4.6!,f=-3.9) USER MOD Set 3.1: A 19 CYS SG : rot 140:sc= -2.59 USER MOD Set 3.2: A 21 MET CE :methyl -125:sc= -3.99! (180deg=-2.45!) USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.00617 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 11 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.16) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -8.32! C(o=-8.3!,f=-14!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.176 X(o=0.18,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.37) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 8:sc= 0.155 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 180:sc= -0.102 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot -67:sc= 1.27 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.268 K(o=-0.27,f=-1.8) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 51:sc= 0.107 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -89:sc= 0.875 USER MOD Single : A 87 LYS NZ :NH3+ -176:sc= 1 (180deg=0.89) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -3.27 K(o=-3.3,f=-9.5!) USER MOD Single : A 97 MET CE :methyl -179:sc= -4.32! (180deg=-4.4!) USER MOD Single : A 99 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-0.72) USER MOD Single : A 100 MET CE :methyl 178:sc= 0 (180deg=-0.00501) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.486 19.388 -17.445 1.00 0.00 N ATOM 2 CA GLY A 1 -13.834 19.751 -17.050 1.00 0.00 C ATOM 3 C GLY A 1 -14.019 19.744 -15.546 1.00 0.00 C ATOM 4 O GLY A 1 -13.521 18.855 -14.856 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.524 18.763 -18.275 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.951 20.247 -17.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.016 18.893 -16.660 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.068 20.743 -17.437 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.542 19.057 -17.503 1.00 0.00 H new ATOM 8 N SER A 2 -14.737 20.740 -15.035 1.00 0.00 N ATOM 9 CA SER A 2 -14.982 20.848 -13.602 1.00 0.00 C ATOM 10 C SER A 2 -16.132 19.941 -13.177 1.00 0.00 C ATOM 11 O SER A 2 -17.133 19.818 -13.882 1.00 0.00 O ATOM 12 CB SER A 2 -15.295 22.298 -13.225 1.00 0.00 C ATOM 13 OG SER A 2 -16.594 22.667 -13.653 1.00 0.00 O ATOM 0 H SER A 2 -15.159 21.483 -15.592 1.00 0.00 H new ATOM 0 HA SER A 2 -14.080 20.530 -13.079 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.216 22.421 -12.145 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.558 22.962 -13.677 1.00 0.00 H new ATOM 0 HG SER A 2 -16.770 23.597 -13.399 1.00 0.00 H new ATOM 19 N SER A 3 -15.981 19.307 -12.019 1.00 0.00 N ATOM 20 CA SER A 3 -17.004 18.407 -11.500 1.00 0.00 C ATOM 21 C SER A 3 -17.829 19.090 -10.413 1.00 0.00 C ATOM 22 O SER A 3 -18.694 18.473 -9.794 1.00 0.00 O ATOM 23 CB SER A 3 -16.361 17.135 -10.944 1.00 0.00 C ATOM 24 OG SER A 3 -15.480 17.434 -9.875 1.00 0.00 O ATOM 0 H SER A 3 -15.159 19.400 -11.422 1.00 0.00 H new ATOM 0 HA SER A 3 -17.668 18.140 -12.322 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.137 16.452 -10.599 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.815 16.623 -11.737 1.00 0.00 H new ATOM 0 HG SER A 3 -15.083 16.604 -9.536 1.00 0.00 H new ATOM 30 N GLY A 4 -17.553 20.371 -10.188 1.00 0.00 N ATOM 31 CA GLY A 4 -18.277 21.119 -9.176 1.00 0.00 C ATOM 32 C GLY A 4 -17.487 21.270 -7.891 1.00 0.00 C ATOM 33 O GLY A 4 -17.091 22.376 -7.524 1.00 0.00 O ATOM 0 H GLY A 4 -16.841 20.904 -10.688 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.524 22.107 -9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.220 20.616 -8.962 1.00 0.00 H new ATOM 37 N SER A 5 -17.258 20.155 -7.205 1.00 0.00 N ATOM 38 CA SER A 5 -16.514 20.168 -5.950 1.00 0.00 C ATOM 39 C SER A 5 -15.119 19.581 -6.139 1.00 0.00 C ATOM 40 O SER A 5 -14.900 18.390 -5.919 1.00 0.00 O ATOM 41 CB SER A 5 -17.270 19.383 -4.877 1.00 0.00 C ATOM 42 OG SER A 5 -16.484 19.230 -3.708 1.00 0.00 O ATOM 0 H SER A 5 -17.577 19.231 -7.497 1.00 0.00 H new ATOM 0 HA SER A 5 -16.412 21.204 -5.627 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.198 19.899 -4.630 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.545 18.402 -5.265 1.00 0.00 H new ATOM 0 HG SER A 5 -16.990 18.726 -3.037 1.00 0.00 H new ATOM 48 N SER A 6 -14.178 20.426 -6.548 1.00 0.00 N ATOM 49 CA SER A 6 -12.804 19.992 -6.771 1.00 0.00 C ATOM 50 C SER A 6 -11.830 20.828 -5.947 1.00 0.00 C ATOM 51 O SER A 6 -11.810 22.054 -6.046 1.00 0.00 O ATOM 52 CB SER A 6 -12.450 20.091 -8.256 1.00 0.00 C ATOM 53 OG SER A 6 -11.256 19.384 -8.543 1.00 0.00 O ATOM 0 H SER A 6 -14.342 21.416 -6.732 1.00 0.00 H new ATOM 0 HA SER A 6 -12.721 18.952 -6.454 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.267 19.690 -8.856 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.333 21.138 -8.536 1.00 0.00 H new ATOM 0 HG SER A 6 -11.052 19.461 -9.498 1.00 0.00 H new ATOM 59 N GLY A 7 -11.022 20.154 -5.134 1.00 0.00 N ATOM 60 CA GLY A 7 -10.056 20.850 -4.304 1.00 0.00 C ATOM 61 C GLY A 7 -9.037 19.912 -3.689 1.00 0.00 C ATOM 62 O GLY A 7 -9.082 19.632 -2.491 1.00 0.00 O ATOM 0 H GLY A 7 -11.019 19.139 -5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.540 21.600 -4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.580 21.383 -3.511 1.00 0.00 H new ATOM 66 N LYS A 8 -8.115 19.421 -4.511 1.00 0.00 N ATOM 67 CA LYS A 8 -7.080 18.508 -4.043 1.00 0.00 C ATOM 68 C LYS A 8 -6.344 19.090 -2.841 1.00 0.00 C ATOM 69 O LYS A 8 -6.091 20.294 -2.779 1.00 0.00 O ATOM 70 CB LYS A 8 -6.086 18.211 -5.168 1.00 0.00 C ATOM 71 CG LYS A 8 -6.578 17.166 -6.154 1.00 0.00 C ATOM 72 CD LYS A 8 -5.949 17.353 -7.525 1.00 0.00 C ATOM 73 CE LYS A 8 -4.459 17.051 -7.500 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.735 17.738 -8.606 1.00 0.00 N ATOM 0 H LYS A 8 -8.064 19.641 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.561 17.579 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.873 19.134 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.146 17.873 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.343 16.170 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.663 17.227 -6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.442 16.699 -8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.108 18.377 -7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.041 17.364 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.305 15.975 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.722 17.507 -8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.116 17.421 -9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.860 18.767 -8.517 1.00 0.00 H new ATOM 88 N ILE A 9 -6.001 18.229 -1.888 1.00 0.00 N ATOM 89 CA ILE A 9 -5.292 18.658 -0.690 1.00 0.00 C ATOM 90 C ILE A 9 -3.836 18.987 -1.001 1.00 0.00 C ATOM 91 O ILE A 9 -3.274 19.939 -0.459 1.00 0.00 O ATOM 92 CB ILE A 9 -5.340 17.581 0.410 1.00 0.00 C ATOM 93 CG1 ILE A 9 -6.790 17.278 0.794 1.00 0.00 C ATOM 94 CG2 ILE A 9 -4.546 18.030 1.627 1.00 0.00 C ATOM 95 CD1 ILE A 9 -7.435 16.217 -0.070 1.00 0.00 C ATOM 0 H ILE A 9 -6.203 17.230 -1.923 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.796 19.555 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.888 16.668 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.822 16.956 1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.375 18.195 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.590 17.258 2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.508 18.200 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.971 18.955 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.461 16.054 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.435 16.545 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.874 15.287 0.017 1.00 0.00 H new ATOM 107 N SER A 10 -3.230 18.193 -1.878 1.00 0.00 N ATOM 108 CA SER A 10 -1.838 18.398 -2.261 1.00 0.00 C ATOM 109 C SER A 10 -1.481 17.556 -3.482 1.00 0.00 C ATOM 110 O SER A 10 -2.208 16.634 -3.848 1.00 0.00 O ATOM 111 CB SER A 10 -0.910 18.046 -1.096 1.00 0.00 C ATOM 112 OG SER A 10 0.343 18.694 -1.229 1.00 0.00 O ATOM 0 H SER A 10 -3.681 17.402 -2.337 1.00 0.00 H new ATOM 0 HA SER A 10 -1.708 19.450 -2.516 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.376 18.338 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.763 16.967 -1.058 1.00 0.00 H new ATOM 0 HG SER A 10 0.917 18.454 -0.472 1.00 0.00 H new ATOM 118 N ASN A 11 -0.356 17.883 -4.110 1.00 0.00 N ATOM 119 CA ASN A 11 0.099 17.159 -5.291 1.00 0.00 C ATOM 120 C ASN A 11 1.368 16.368 -4.989 1.00 0.00 C ATOM 121 O ASN A 11 2.274 16.288 -5.819 1.00 0.00 O ATOM 122 CB ASN A 11 0.353 18.131 -6.445 1.00 0.00 C ATOM 123 CG ASN A 11 0.857 19.479 -5.965 1.00 0.00 C ATOM 124 OD1 ASN A 11 1.941 19.580 -5.391 1.00 0.00 O ATOM 125 ND2 ASN A 11 0.069 20.522 -6.198 1.00 0.00 N ATOM 0 H ASN A 11 0.257 18.645 -3.820 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.684 16.459 -5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.082 17.696 -7.129 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.569 18.271 -7.009 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.354 21.454 -5.897 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.822 20.391 -6.678 1.00 0.00 H new ATOM 132 N ILE A 12 1.425 15.784 -3.797 1.00 0.00 N ATOM 133 CA ILE A 12 2.582 14.998 -3.386 1.00 0.00 C ATOM 134 C ILE A 12 2.628 13.663 -4.123 1.00 0.00 C ATOM 135 O ILE A 12 3.704 13.157 -4.445 1.00 0.00 O ATOM 136 CB ILE A 12 2.574 14.734 -1.869 1.00 0.00 C ATOM 137 CG1 ILE A 12 1.277 14.032 -1.458 1.00 0.00 C ATOM 138 CG2 ILE A 12 2.742 16.038 -1.104 1.00 0.00 C ATOM 139 CD1 ILE A 12 1.225 13.671 0.010 1.00 0.00 C ATOM 0 H ILE A 12 0.684 15.840 -3.099 1.00 0.00 H new ATOM 0 HA ILE A 12 3.467 15.582 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 12 3.412 14.081 -1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.432 14.679 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.160 13.125 -2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.734 15.835 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.689 16.502 -1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.923 16.713 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.279 13.177 0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.049 12.999 0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.310 14.577 0.611 1.00 0.00 H new ATOM 151 N PHE A 13 1.455 13.098 -4.387 1.00 0.00 N ATOM 152 CA PHE A 13 1.361 11.822 -5.087 1.00 0.00 C ATOM 153 C PHE A 13 1.112 12.036 -6.577 1.00 0.00 C ATOM 154 O PHE A 13 0.731 11.109 -7.291 1.00 0.00 O ATOM 155 CB PHE A 13 0.241 10.969 -4.487 1.00 0.00 C ATOM 156 CG PHE A 13 0.420 10.689 -3.023 1.00 0.00 C ATOM 157 CD1 PHE A 13 1.656 10.315 -2.521 1.00 0.00 C ATOM 158 CD2 PHE A 13 -0.649 10.798 -2.148 1.00 0.00 C ATOM 159 CE1 PHE A 13 1.823 10.057 -1.173 1.00 0.00 C ATOM 160 CE2 PHE A 13 -0.487 10.542 -0.799 1.00 0.00 C ATOM 161 CZ PHE A 13 0.750 10.169 -0.312 1.00 0.00 C ATOM 0 H PHE A 13 0.556 13.503 -4.127 1.00 0.00 H new ATOM 0 HA PHE A 13 2.310 11.299 -4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.712 11.476 -4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.187 10.023 -5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.499 10.224 -3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.620 11.086 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.792 9.768 -0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.327 10.634 -0.127 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.878 9.965 0.741 1.00 0.00 H new ATOM 171 N GLU A 14 1.329 13.264 -7.037 1.00 0.00 N ATOM 172 CA GLU A 14 1.125 13.599 -8.441 1.00 0.00 C ATOM 173 C GLU A 14 1.992 12.723 -9.341 1.00 0.00 C ATOM 174 O GLU A 14 3.186 12.551 -9.094 1.00 0.00 O ATOM 175 CB GLU A 14 1.445 15.075 -8.687 1.00 0.00 C ATOM 176 CG GLU A 14 1.636 15.420 -10.155 1.00 0.00 C ATOM 177 CD GLU A 14 1.673 16.916 -10.403 1.00 0.00 C ATOM 178 OE1 GLU A 14 0.885 17.643 -9.764 1.00 0.00 O ATOM 179 OE2 GLU A 14 2.492 17.358 -11.236 1.00 0.00 O ATOM 0 H GLU A 14 1.646 14.042 -6.459 1.00 0.00 H new ATOM 0 HA GLU A 14 0.078 13.416 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.638 15.686 -8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.350 15.338 -8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.564 14.973 -10.512 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.826 14.979 -10.736 1.00 0.00 H new ATOM 186 N ASP A 15 1.382 12.171 -10.384 1.00 0.00 N ATOM 187 CA ASP A 15 2.097 11.312 -11.321 1.00 0.00 C ATOM 188 C ASP A 15 2.553 10.025 -10.641 1.00 0.00 C ATOM 189 O ASP A 15 3.556 9.427 -11.029 1.00 0.00 O ATOM 190 CB ASP A 15 3.303 12.050 -11.904 1.00 0.00 C ATOM 191 CG ASP A 15 4.002 11.253 -12.988 1.00 0.00 C ATOM 192 OD1 ASP A 15 3.302 10.688 -13.854 1.00 0.00 O ATOM 193 OD2 ASP A 15 5.249 11.194 -12.970 1.00 0.00 O ATOM 0 H ASP A 15 0.394 12.303 -10.602 1.00 0.00 H new ATOM 0 HA ASP A 15 1.414 11.052 -12.130 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.977 13.006 -12.313 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.011 12.270 -11.105 1.00 0.00 H new ATOM 198 N VAL A 16 1.809 9.605 -9.622 1.00 0.00 N ATOM 199 CA VAL A 16 2.137 8.390 -8.887 1.00 0.00 C ATOM 200 C VAL A 16 0.926 7.470 -8.779 1.00 0.00 C ATOM 201 O VAL A 16 -0.175 7.913 -8.454 1.00 0.00 O ATOM 202 CB VAL A 16 2.652 8.711 -7.471 1.00 0.00 C ATOM 203 CG1 VAL A 16 3.245 7.469 -6.823 1.00 0.00 C ATOM 204 CG2 VAL A 16 3.673 9.837 -7.519 1.00 0.00 C ATOM 0 H VAL A 16 0.976 10.089 -9.287 1.00 0.00 H new ATOM 0 HA VAL A 16 2.925 7.885 -9.446 1.00 0.00 H new ATOM 0 HB VAL A 16 1.810 9.041 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.603 7.716 -5.824 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.481 6.695 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.076 7.105 -7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.026 10.051 -6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.515 9.538 -8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.210 10.730 -7.938 1.00 0.00 H new ATOM 214 N GLU A 17 1.138 6.186 -9.052 1.00 0.00 N ATOM 215 CA GLU A 17 0.063 5.204 -8.986 1.00 0.00 C ATOM 216 C GLU A 17 0.097 4.449 -7.660 1.00 0.00 C ATOM 217 O GLU A 17 1.155 4.290 -7.050 1.00 0.00 O ATOM 218 CB GLU A 17 0.171 4.217 -10.150 1.00 0.00 C ATOM 219 CG GLU A 17 -1.016 3.274 -10.261 1.00 0.00 C ATOM 220 CD GLU A 17 -1.210 2.744 -11.668 1.00 0.00 C ATOM 221 OE1 GLU A 17 -1.693 3.508 -12.530 1.00 0.00 O ATOM 222 OE2 GLU A 17 -0.877 1.564 -11.908 1.00 0.00 O ATOM 0 H GLU A 17 2.044 5.802 -9.321 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.885 5.736 -9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.269 4.775 -11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.082 3.629 -10.034 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.875 2.437 -9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.920 3.795 -9.945 1.00 0.00 H new ATOM 229 N PHE A 18 -1.068 3.985 -7.220 1.00 0.00 N ATOM 230 CA PHE A 18 -1.173 3.248 -5.966 1.00 0.00 C ATOM 231 C PHE A 18 -2.185 2.112 -6.086 1.00 0.00 C ATOM 232 O PHE A 18 -3.182 2.227 -6.800 1.00 0.00 O ATOM 233 CB PHE A 18 -1.577 4.189 -4.829 1.00 0.00 C ATOM 234 CG PHE A 18 -0.717 5.416 -4.732 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.920 6.490 -5.584 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.295 5.496 -3.789 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.131 7.621 -5.497 1.00 0.00 C ATOM 238 CE2 PHE A 18 1.088 6.624 -3.697 1.00 0.00 C ATOM 239 CZ PHE A 18 0.875 7.688 -4.553 1.00 0.00 C ATOM 0 H PHE A 18 -1.953 4.106 -7.713 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.196 2.819 -5.743 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.614 4.492 -4.971 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.530 3.646 -3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.704 6.442 -6.325 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.466 4.667 -3.118 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.301 8.451 -6.166 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.873 6.674 -2.957 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.494 8.570 -4.484 1.00 0.00 H new ATOM 249 N CYS A 19 -1.921 1.016 -5.383 1.00 0.00 N ATOM 250 CA CYS A 19 -2.807 -0.142 -5.411 1.00 0.00 C ATOM 251 C CYS A 19 -3.020 -0.698 -4.007 1.00 0.00 C ATOM 252 O CYS A 19 -2.098 -1.237 -3.394 1.00 0.00 O ATOM 253 CB CYS A 19 -2.232 -1.228 -6.321 1.00 0.00 C ATOM 254 SG CYS A 19 -3.484 -2.263 -7.116 1.00 0.00 S ATOM 0 H CYS A 19 -1.101 0.905 -4.787 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.771 0.179 -5.805 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.623 -0.756 -7.092 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.568 -1.864 -5.735 1.00 0.00 H new ATOM 0 HG CYS A 19 -3.133 -2.502 -8.345 1.00 0.00 H new ATOM 260 N VAL A 20 -4.242 -0.562 -3.501 1.00 0.00 N ATOM 261 CA VAL A 20 -4.576 -1.049 -2.168 1.00 0.00 C ATOM 262 C VAL A 20 -5.203 -2.438 -2.232 1.00 0.00 C ATOM 263 O VAL A 20 -6.186 -2.653 -2.940 1.00 0.00 O ATOM 264 CB VAL A 20 -5.545 -0.093 -1.447 1.00 0.00 C ATOM 265 CG1 VAL A 20 -5.989 -0.685 -0.118 1.00 0.00 C ATOM 266 CG2 VAL A 20 -4.896 1.268 -1.244 1.00 0.00 C ATOM 0 H VAL A 20 -5.017 -0.119 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.643 -1.100 -1.606 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.429 0.040 -2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.673 0.004 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.495 -1.635 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.118 -0.850 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.594 1.931 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.995 1.155 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.633 1.694 -2.212 1.00 0.00 H new ATOM 276 N MET A 21 -4.627 -3.376 -1.488 1.00 0.00 N ATOM 277 CA MET A 21 -5.131 -4.744 -1.459 1.00 0.00 C ATOM 278 C MET A 21 -6.003 -4.976 -0.229 1.00 0.00 C ATOM 279 O MET A 21 -6.973 -5.732 -0.278 1.00 0.00 O ATOM 280 CB MET A 21 -3.969 -5.739 -1.470 1.00 0.00 C ATOM 281 CG MET A 21 -3.335 -5.917 -2.840 1.00 0.00 C ATOM 282 SD MET A 21 -3.194 -4.365 -3.747 1.00 0.00 S ATOM 283 CE MET A 21 -3.334 -4.945 -5.436 1.00 0.00 C ATOM 0 H MET A 21 -3.811 -3.214 -0.897 1.00 0.00 H new ATOM 0 HA MET A 21 -5.741 -4.899 -2.349 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.207 -5.403 -0.767 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.326 -6.706 -1.115 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.344 -6.356 -2.723 1.00 0.00 H new ATOM 0 HG3 MET A 21 -3.929 -6.621 -3.422 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.471 -4.606 -6.010 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.371 -6.034 -5.445 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.245 -4.548 -5.883 1.00 0.00 H new ATOM 293 N SER A 22 -5.650 -4.322 0.873 1.00 0.00 N ATOM 294 CA SER A 22 -6.398 -4.461 2.117 1.00 0.00 C ATOM 295 C SER A 22 -6.033 -3.351 3.098 1.00 0.00 C ATOM 296 O SER A 22 -4.937 -2.794 3.043 1.00 0.00 O ATOM 297 CB SER A 22 -6.125 -5.827 2.751 1.00 0.00 C ATOM 298 OG SER A 22 -4.744 -5.998 3.019 1.00 0.00 O ATOM 0 H SER A 22 -4.851 -3.691 0.930 1.00 0.00 H new ATOM 0 HA SER A 22 -7.460 -4.382 1.884 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.693 -5.922 3.677 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.470 -6.617 2.083 1.00 0.00 H new ATOM 0 HG SER A 22 -4.477 -6.913 2.791 1.00 0.00 H new ATOM 304 N GLY A 23 -6.961 -3.034 3.995 1.00 0.00 N ATOM 305 CA GLY A 23 -6.719 -1.991 4.976 1.00 0.00 C ATOM 306 C GLY A 23 -6.763 -2.512 6.399 1.00 0.00 C ATOM 307 O GLY A 23 -6.413 -3.664 6.658 1.00 0.00 O ATOM 0 H GLY A 23 -7.876 -3.480 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.745 -1.538 4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.464 -1.205 4.857 1.00 0.00 H new ATOM 311 N THR A 24 -7.194 -1.662 7.325 1.00 0.00 N ATOM 312 CA THR A 24 -7.280 -2.041 8.730 1.00 0.00 C ATOM 313 C THR A 24 -8.681 -1.799 9.280 1.00 0.00 C ATOM 314 O THR A 24 -9.581 -1.380 8.552 1.00 0.00 O ATOM 315 CB THR A 24 -6.263 -1.262 9.585 1.00 0.00 C ATOM 316 OG1 THR A 24 -6.486 0.146 9.450 1.00 0.00 O ATOM 317 CG2 THR A 24 -4.838 -1.597 9.172 1.00 0.00 C ATOM 0 H THR A 24 -7.489 -0.706 7.127 1.00 0.00 H new ATOM 0 HA THR A 24 -7.050 -3.105 8.785 1.00 0.00 H new ATOM 0 HB THR A 24 -6.400 -1.553 10.627 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.836 0.634 9.998 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.138 -1.035 9.790 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.662 -2.665 9.305 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.691 -1.332 8.125 1.00 0.00 H new ATOM 325 N ASP A 25 -8.859 -2.065 10.569 1.00 0.00 N ATOM 326 CA ASP A 25 -10.151 -1.875 11.218 1.00 0.00 C ATOM 327 C ASP A 25 -10.574 -0.410 11.167 1.00 0.00 C ATOM 328 O ASP A 25 -11.568 -0.062 10.530 1.00 0.00 O ATOM 329 CB ASP A 25 -10.092 -2.351 12.670 1.00 0.00 C ATOM 330 CG ASP A 25 -11.464 -2.423 13.312 1.00 0.00 C ATOM 331 OD1 ASP A 25 -12.308 -3.202 12.822 1.00 0.00 O ATOM 332 OD2 ASP A 25 -11.693 -1.700 14.304 1.00 0.00 O ATOM 0 H ASP A 25 -8.125 -2.413 11.186 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.891 -2.468 10.680 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.624 -3.335 12.708 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.460 -1.675 13.246 1.00 0.00 H new ATOM 337 N SER A 26 -9.812 0.444 11.843 1.00 0.00 N ATOM 338 CA SER A 26 -10.111 1.871 11.879 1.00 0.00 C ATOM 339 C SER A 26 -10.359 2.410 10.473 1.00 0.00 C ATOM 340 O SER A 26 -11.307 3.159 10.243 1.00 0.00 O ATOM 341 CB SER A 26 -8.961 2.638 12.536 1.00 0.00 C ATOM 342 OG SER A 26 -9.082 4.031 12.309 1.00 0.00 O ATOM 0 H SER A 26 -8.984 0.173 12.373 1.00 0.00 H new ATOM 0 HA SER A 26 -11.017 2.013 12.469 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.953 2.440 13.608 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.010 2.283 12.140 1.00 0.00 H new ATOM 0 HG SER A 26 -8.336 4.499 12.740 1.00 0.00 H new ATOM 348 N GLN A 27 -9.498 2.022 9.538 1.00 0.00 N ATOM 349 CA GLN A 27 -9.622 2.467 8.155 1.00 0.00 C ATOM 350 C GLN A 27 -9.711 1.276 7.206 1.00 0.00 C ATOM 351 O GLN A 27 -8.812 0.437 7.138 1.00 0.00 O ATOM 352 CB GLN A 27 -8.435 3.352 7.772 1.00 0.00 C ATOM 353 CG GLN A 27 -8.448 4.713 8.448 1.00 0.00 C ATOM 354 CD GLN A 27 -7.085 5.376 8.452 1.00 0.00 C ATOM 355 OE1 GLN A 27 -6.307 5.229 7.509 1.00 0.00 O ATOM 356 NE2 GLN A 27 -6.787 6.112 9.517 1.00 0.00 N ATOM 0 H GLN A 27 -8.708 1.401 9.713 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.541 3.047 8.068 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.510 2.836 8.030 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.431 3.492 6.691 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.161 5.361 7.938 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.796 4.601 9.475 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.462 6.207 10.276 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.884 6.582 9.576 1.00 0.00 H new ATOM 365 N PRO A 28 -10.819 1.198 6.455 1.00 0.00 N ATOM 366 CA PRO A 28 -11.051 0.113 5.497 1.00 0.00 C ATOM 367 C PRO A 28 -10.122 0.197 4.290 1.00 0.00 C ATOM 368 O PRO A 28 -9.458 1.211 4.074 1.00 0.00 O ATOM 369 CB PRO A 28 -12.505 0.324 5.067 1.00 0.00 C ATOM 370 CG PRO A 28 -12.759 1.775 5.290 1.00 0.00 C ATOM 371 CD PRO A 28 -11.932 2.162 6.484 1.00 0.00 C ATOM 0 HA PRO A 28 -10.859 -0.866 5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.652 0.052 4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.185 -0.292 5.655 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.477 2.359 4.414 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.817 1.962 5.471 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.576 3.189 6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.503 2.089 7.409 1.00 0.00 H new ATOM 379 N LYS A 29 -10.081 -0.874 3.506 1.00 0.00 N ATOM 380 CA LYS A 29 -9.235 -0.922 2.319 1.00 0.00 C ATOM 381 C LYS A 29 -9.452 0.310 1.446 1.00 0.00 C ATOM 382 O LYS A 29 -8.529 1.078 1.173 1.00 0.00 O ATOM 383 CB LYS A 29 -9.523 -2.190 1.512 1.00 0.00 C ATOM 384 CG LYS A 29 -9.334 -2.014 0.015 1.00 0.00 C ATOM 385 CD LYS A 29 -9.394 -3.346 -0.714 1.00 0.00 C ATOM 386 CE LYS A 29 -10.826 -3.733 -1.050 1.00 0.00 C ATOM 387 NZ LYS A 29 -11.259 -3.177 -2.361 1.00 0.00 N ATOM 0 H LYS A 29 -10.624 -1.722 3.671 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.195 -0.936 2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.869 -2.989 1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.547 -2.509 1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.105 -1.350 -0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.374 -1.535 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.807 -3.287 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.942 -4.121 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.913 -4.819 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.492 -3.374 -0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.240 -3.464 -2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.200 -2.139 -2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.639 -3.539 -3.113 1.00 0.00 H new ATOM 401 N PRO A 30 -10.701 0.505 0.998 1.00 0.00 N ATOM 402 CA PRO A 30 -11.069 1.644 0.150 1.00 0.00 C ATOM 403 C PRO A 30 -11.029 2.967 0.908 1.00 0.00 C ATOM 404 O PRO A 30 -11.538 3.981 0.432 1.00 0.00 O ATOM 405 CB PRO A 30 -12.501 1.317 -0.280 1.00 0.00 C ATOM 406 CG PRO A 30 -13.027 0.429 0.794 1.00 0.00 C ATOM 407 CD PRO A 30 -11.850 -0.369 1.284 1.00 0.00 C ATOM 0 HA PRO A 30 -10.378 1.773 -0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.102 2.221 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.519 0.819 -1.249 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.467 1.013 1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.810 -0.225 0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.930 -0.591 2.348 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.768 -1.324 0.764 1.00 0.00 H new ATOM 415 N ASP A 31 -10.420 2.949 2.088 1.00 0.00 N ATOM 416 CA ASP A 31 -10.312 4.148 2.911 1.00 0.00 C ATOM 417 C ASP A 31 -9.255 5.096 2.354 1.00 0.00 C ATOM 418 O ASP A 31 -9.510 6.286 2.165 1.00 0.00 O ATOM 419 CB ASP A 31 -9.970 3.773 4.354 1.00 0.00 C ATOM 420 CG ASP A 31 -10.168 4.929 5.315 1.00 0.00 C ATOM 421 OD1 ASP A 31 -11.333 5.231 5.648 1.00 0.00 O ATOM 422 OD2 ASP A 31 -9.158 5.533 5.733 1.00 0.00 O ATOM 0 H ASP A 31 -9.993 2.117 2.496 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.275 4.658 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.593 2.934 4.666 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.934 3.437 4.403 1.00 0.00 H new ATOM 427 N LEU A 32 -8.066 4.561 2.096 1.00 0.00 N ATOM 428 CA LEU A 32 -6.968 5.360 1.561 1.00 0.00 C ATOM 429 C LEU A 32 -7.177 5.649 0.078 1.00 0.00 C ATOM 430 O LEU A 32 -6.815 6.718 -0.411 1.00 0.00 O ATOM 431 CB LEU A 32 -5.637 4.635 1.769 1.00 0.00 C ATOM 432 CG LEU A 32 -5.468 3.910 3.104 1.00 0.00 C ATOM 433 CD1 LEU A 32 -4.567 2.696 2.943 1.00 0.00 C ATOM 434 CD2 LEU A 32 -4.909 4.856 4.157 1.00 0.00 C ATOM 0 H LEU A 32 -7.838 3.579 2.248 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.946 6.309 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.513 3.909 0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.831 5.362 1.669 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.448 3.567 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.459 2.193 3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.008 2.009 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.587 3.015 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.795 4.323 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.938 5.230 3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.593 5.694 4.293 1.00 0.00 H new ATOM 446 N GLU A 33 -7.765 4.690 -0.630 1.00 0.00 N ATOM 447 CA GLU A 33 -8.023 4.844 -2.057 1.00 0.00 C ATOM 448 C GLU A 33 -8.672 6.194 -2.350 1.00 0.00 C ATOM 449 O GLU A 33 -8.292 6.885 -3.293 1.00 0.00 O ATOM 450 CB GLU A 33 -8.923 3.713 -2.560 1.00 0.00 C ATOM 451 CG GLU A 33 -8.373 2.326 -2.273 1.00 0.00 C ATOM 452 CD GLU A 33 -9.028 1.253 -3.122 1.00 0.00 C ATOM 453 OE1 GLU A 33 -10.137 1.500 -3.640 1.00 0.00 O ATOM 454 OE2 GLU A 33 -8.430 0.166 -3.267 1.00 0.00 O ATOM 0 H GLU A 33 -8.071 3.799 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.068 4.798 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.905 3.808 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.065 3.823 -3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.298 2.321 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.521 2.091 -1.219 1.00 0.00 H new ATOM 461 N ASN A 34 -9.655 6.560 -1.534 1.00 0.00 N ATOM 462 CA ASN A 34 -10.359 7.826 -1.705 1.00 0.00 C ATOM 463 C ASN A 34 -9.445 9.005 -1.386 1.00 0.00 C ATOM 464 O ASN A 34 -9.410 9.993 -2.118 1.00 0.00 O ATOM 465 CB ASN A 34 -11.599 7.870 -0.809 1.00 0.00 C ATOM 466 CG ASN A 34 -12.815 7.257 -1.475 1.00 0.00 C ATOM 467 OD1 ASN A 34 -13.367 7.818 -2.423 1.00 0.00 O ATOM 468 ND2 ASN A 34 -13.240 6.100 -0.981 1.00 0.00 N ATOM 0 H ASN A 34 -9.982 5.998 -0.748 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.669 7.902 -2.747 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.391 7.340 0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.816 8.905 -0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.054 5.640 -1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.752 5.671 -0.195 1.00 0.00 H new ATOM 475 N ARG A 35 -8.705 8.891 -0.287 1.00 0.00 N ATOM 476 CA ARG A 35 -7.790 9.947 0.130 1.00 0.00 C ATOM 477 C ARG A 35 -6.699 10.166 -0.914 1.00 0.00 C ATOM 478 O ARG A 35 -6.602 11.239 -1.510 1.00 0.00 O ATOM 479 CB ARG A 35 -7.158 9.600 1.479 1.00 0.00 C ATOM 480 CG ARG A 35 -8.163 9.499 2.615 1.00 0.00 C ATOM 481 CD ARG A 35 -8.403 10.852 3.268 1.00 0.00 C ATOM 482 NE ARG A 35 -9.470 10.797 4.264 1.00 0.00 N ATOM 483 CZ ARG A 35 -9.881 11.851 4.959 1.00 0.00 C ATOM 484 NH1 ARG A 35 -9.318 13.036 4.768 1.00 0.00 N ATOM 485 NH2 ARG A 35 -10.857 11.721 5.848 1.00 0.00 N ATOM 0 H ARG A 35 -8.721 8.079 0.330 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.362 10.869 0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.628 8.652 1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.416 10.358 1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.105 9.105 2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.800 8.793 3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.483 11.195 3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.659 11.584 2.502 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.924 9.900 4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.567 13.140 4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.636 13.844 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.292 10.811 5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.172 12.531 6.382 1.00 0.00 H new ATOM 499 N ILE A 36 -5.881 9.141 -1.130 1.00 0.00 N ATOM 500 CA ILE A 36 -4.797 9.222 -2.102 1.00 0.00 C ATOM 501 C ILE A 36 -5.214 10.034 -3.323 1.00 0.00 C ATOM 502 O ILE A 36 -4.584 11.037 -3.658 1.00 0.00 O ATOM 503 CB ILE A 36 -4.347 7.822 -2.560 1.00 0.00 C ATOM 504 CG1 ILE A 36 -3.858 7.003 -1.364 1.00 0.00 C ATOM 505 CG2 ILE A 36 -3.255 7.935 -3.613 1.00 0.00 C ATOM 506 CD1 ILE A 36 -3.594 5.550 -1.693 1.00 0.00 C ATOM 0 H ILE A 36 -5.948 8.246 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.963 9.719 -1.605 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.201 7.309 -3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.943 7.451 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.601 7.058 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.947 6.937 -3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.635 8.485 -4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.399 8.464 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.250 5.031 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.512 5.085 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.829 5.485 -2.466 1.00 0.00 H new ATOM 518 N ALA A 37 -6.280 9.595 -3.984 1.00 0.00 N ATOM 519 CA ALA A 37 -6.783 10.284 -5.166 1.00 0.00 C ATOM 520 C ALA A 37 -6.868 11.788 -4.931 1.00 0.00 C ATOM 521 O ALA A 37 -6.395 12.580 -5.745 1.00 0.00 O ATOM 522 CB ALA A 37 -8.146 9.731 -5.559 1.00 0.00 C ATOM 0 H ALA A 37 -6.812 8.765 -3.721 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.083 10.110 -5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.510 10.254 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.058 8.667 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.848 9.875 -4.738 1.00 0.00 H new ATOM 528 N GLU A 38 -7.473 12.174 -3.812 1.00 0.00 N ATOM 529 CA GLU A 38 -7.621 13.584 -3.472 1.00 0.00 C ATOM 530 C GLU A 38 -6.258 14.265 -3.372 1.00 0.00 C ATOM 531 O GLU A 38 -6.141 15.475 -3.565 1.00 0.00 O ATOM 532 CB GLU A 38 -8.377 13.737 -2.151 1.00 0.00 C ATOM 533 CG GLU A 38 -9.825 13.281 -2.223 1.00 0.00 C ATOM 534 CD GLU A 38 -10.656 13.791 -1.061 1.00 0.00 C ATOM 535 OE1 GLU A 38 -10.463 13.297 0.069 1.00 0.00 O ATOM 536 OE2 GLU A 38 -11.499 14.686 -1.284 1.00 0.00 O ATOM 0 H GLU A 38 -7.868 11.531 -3.126 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.192 14.065 -4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.862 13.165 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.349 14.783 -1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.265 13.627 -3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.859 12.192 -2.238 1.00 0.00 H new ATOM 543 N PHE A 39 -5.232 13.478 -3.067 1.00 0.00 N ATOM 544 CA PHE A 39 -3.877 14.004 -2.939 1.00 0.00 C ATOM 545 C PHE A 39 -3.146 13.954 -4.277 1.00 0.00 C ATOM 546 O PHE A 39 -1.924 14.085 -4.334 1.00 0.00 O ATOM 547 CB PHE A 39 -3.097 13.211 -1.888 1.00 0.00 C ATOM 548 CG PHE A 39 -3.281 13.726 -0.489 1.00 0.00 C ATOM 549 CD1 PHE A 39 -4.516 13.647 0.135 1.00 0.00 C ATOM 550 CD2 PHE A 39 -2.220 14.290 0.201 1.00 0.00 C ATOM 551 CE1 PHE A 39 -4.689 14.119 1.422 1.00 0.00 C ATOM 552 CE2 PHE A 39 -2.387 14.763 1.488 1.00 0.00 C ATOM 553 CZ PHE A 39 -3.623 14.679 2.100 1.00 0.00 C ATOM 0 H PHE A 39 -5.312 12.474 -2.904 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.946 15.044 -2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.409 12.167 -1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.037 13.236 -2.139 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.353 13.211 -0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.252 14.361 -0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.656 14.050 1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.552 15.198 2.016 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.756 15.050 3.106 1.00 0.00 H new ATOM 563 N GLY A 40 -3.904 13.763 -5.352 1.00 0.00 N ATOM 564 CA GLY A 40 -3.312 13.698 -6.676 1.00 0.00 C ATOM 565 C GLY A 40 -2.639 12.366 -6.945 1.00 0.00 C ATOM 566 O GLY A 40 -1.522 12.320 -7.457 1.00 0.00 O ATOM 0 H GLY A 40 -4.918 13.652 -5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.085 13.869 -7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.581 14.499 -6.784 1.00 0.00 H new ATOM 570 N GLY A 41 -3.322 11.279 -6.598 1.00 0.00 N ATOM 571 CA GLY A 41 -2.767 9.955 -6.812 1.00 0.00 C ATOM 572 C GLY A 41 -3.684 9.068 -7.631 1.00 0.00 C ATOM 573 O GLY A 41 -4.898 9.271 -7.653 1.00 0.00 O ATOM 0 H GLY A 41 -4.249 11.292 -6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.806 10.045 -7.318 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.577 9.484 -5.848 1.00 0.00 H new ATOM 577 N TYR A 42 -3.102 8.084 -8.307 1.00 0.00 N ATOM 578 CA TYR A 42 -3.874 7.165 -9.135 1.00 0.00 C ATOM 579 C TYR A 42 -4.165 5.869 -8.385 1.00 0.00 C ATOM 580 O TYR A 42 -3.308 5.346 -7.672 1.00 0.00 O ATOM 581 CB TYR A 42 -3.122 6.859 -10.432 1.00 0.00 C ATOM 582 CG TYR A 42 -4.031 6.538 -11.597 1.00 0.00 C ATOM 583 CD1 TYR A 42 -4.512 7.543 -12.426 1.00 0.00 C ATOM 584 CD2 TYR A 42 -4.409 5.228 -11.868 1.00 0.00 C ATOM 585 CE1 TYR A 42 -5.343 7.254 -13.492 1.00 0.00 C ATOM 586 CE2 TYR A 42 -5.238 4.930 -12.932 1.00 0.00 C ATOM 587 CZ TYR A 42 -5.702 5.946 -13.741 1.00 0.00 C ATOM 588 OH TYR A 42 -6.529 5.653 -14.801 1.00 0.00 O ATOM 0 H TYR A 42 -2.098 7.902 -8.298 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.823 7.644 -9.377 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.500 7.715 -10.692 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.451 6.017 -10.263 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.232 8.568 -12.234 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.048 4.430 -11.236 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.709 8.048 -14.126 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.521 3.907 -13.129 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.684 4.686 -14.838 1.00 0.00 H new ATOM 598 N ILE A 43 -5.379 5.356 -8.552 1.00 0.00 N ATOM 599 CA ILE A 43 -5.784 4.121 -7.893 1.00 0.00 C ATOM 600 C ILE A 43 -6.329 3.114 -8.899 1.00 0.00 C ATOM 601 O ILE A 43 -7.129 3.459 -9.768 1.00 0.00 O ATOM 602 CB ILE A 43 -6.852 4.382 -6.814 1.00 0.00 C ATOM 603 CG1 ILE A 43 -6.333 5.387 -5.784 1.00 0.00 C ATOM 604 CG2 ILE A 43 -7.250 3.079 -6.137 1.00 0.00 C ATOM 605 CD1 ILE A 43 -5.098 4.914 -5.048 1.00 0.00 C ATOM 0 H ILE A 43 -6.100 5.777 -9.138 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.893 3.710 -7.418 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.735 4.805 -7.293 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.109 6.328 -6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.121 5.593 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.005 3.280 -5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.656 2.392 -6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.374 2.630 -5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.786 5.676 -4.334 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.323 3.989 -4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.295 4.735 -5.763 1.00 0.00 H new ATOM 617 N VAL A 44 -5.892 1.864 -8.774 1.00 0.00 N ATOM 618 CA VAL A 44 -6.338 0.805 -9.671 1.00 0.00 C ATOM 619 C VAL A 44 -6.749 -0.439 -8.891 1.00 0.00 C ATOM 620 O VAL A 44 -6.753 -0.437 -7.661 1.00 0.00 O ATOM 621 CB VAL A 44 -5.239 0.425 -10.681 1.00 0.00 C ATOM 622 CG1 VAL A 44 -5.013 1.554 -11.675 1.00 0.00 C ATOM 623 CG2 VAL A 44 -3.949 0.074 -9.957 1.00 0.00 C ATOM 0 H VAL A 44 -5.230 1.561 -8.060 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.201 1.192 -10.213 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.568 -0.454 -11.236 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.233 1.267 -12.380 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.938 1.752 -12.217 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.706 2.453 -11.141 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.183 -0.192 -10.686 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.613 0.932 -9.375 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.124 -0.770 -9.290 1.00 0.00 H new ATOM 633 N GLN A 45 -7.092 -1.499 -9.616 1.00 0.00 N ATOM 634 CA GLN A 45 -7.505 -2.750 -8.991 1.00 0.00 C ATOM 635 C GLN A 45 -6.370 -3.769 -9.012 1.00 0.00 C ATOM 636 O GLN A 45 -6.034 -4.359 -7.986 1.00 0.00 O ATOM 637 CB GLN A 45 -8.732 -3.320 -9.704 1.00 0.00 C ATOM 638 CG GLN A 45 -9.988 -2.486 -9.514 1.00 0.00 C ATOM 639 CD GLN A 45 -10.254 -2.155 -8.059 1.00 0.00 C ATOM 640 OE1 GLN A 45 -10.710 -3.002 -7.290 1.00 0.00 O ATOM 641 NE2 GLN A 45 -9.970 -0.917 -7.672 1.00 0.00 N ATOM 0 H GLN A 45 -7.092 -1.516 -10.636 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.762 -2.541 -7.953 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.518 -3.401 -10.770 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.918 -4.330 -9.338 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.894 -1.560 -10.082 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.843 -3.025 -9.922 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.593 -0.247 -8.342 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.128 -0.636 -6.704 1.00 0.00 H new ATOM 650 N ASN A 46 -5.784 -3.970 -10.188 1.00 0.00 N ATOM 651 CA ASN A 46 -4.687 -4.919 -10.343 1.00 0.00 C ATOM 652 C ASN A 46 -3.351 -4.191 -10.457 1.00 0.00 C ATOM 653 O ASN A 46 -3.175 -3.288 -11.275 1.00 0.00 O ATOM 654 CB ASN A 46 -4.912 -5.793 -11.578 1.00 0.00 C ATOM 655 CG ASN A 46 -6.359 -6.221 -11.727 1.00 0.00 C ATOM 656 OD1 ASN A 46 -6.819 -7.140 -11.049 1.00 0.00 O ATOM 657 ND2 ASN A 46 -7.084 -5.555 -12.618 1.00 0.00 N ATOM 0 H ASN A 46 -6.050 -3.489 -11.047 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.660 -5.554 -9.457 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.604 -5.245 -12.469 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.279 -6.678 -11.514 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.064 -5.798 -12.763 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.661 -4.800 -13.158 1.00 0.00 H new ATOM 664 N PRO A 47 -2.384 -4.594 -9.618 1.00 0.00 N ATOM 665 CA PRO A 47 -1.046 -3.995 -9.606 1.00 0.00 C ATOM 666 C PRO A 47 -0.244 -4.344 -10.855 1.00 0.00 C ATOM 667 O PRO A 47 -0.102 -5.515 -11.206 1.00 0.00 O ATOM 668 CB PRO A 47 -0.395 -4.606 -8.363 1.00 0.00 C ATOM 669 CG PRO A 47 -1.111 -5.896 -8.156 1.00 0.00 C ATOM 670 CD PRO A 47 -2.523 -5.665 -8.617 1.00 0.00 C ATOM 0 HA PRO A 47 -1.087 -2.906 -9.590 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.673 -4.765 -8.513 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.501 -3.951 -7.498 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.641 -6.699 -8.725 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.086 -6.192 -7.107 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.957 -6.566 -9.050 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.170 -5.364 -7.793 1.00 0.00 H new ATOM 678 N GLY A 48 0.280 -3.320 -11.522 1.00 0.00 N ATOM 679 CA GLY A 48 1.063 -3.541 -12.724 1.00 0.00 C ATOM 680 C GLY A 48 2.419 -2.866 -12.665 1.00 0.00 C ATOM 681 O GLY A 48 3.003 -2.692 -11.596 1.00 0.00 O ATOM 0 H GLY A 48 0.176 -2.342 -11.252 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.200 -4.612 -12.873 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.512 -3.167 -13.587 1.00 0.00 H new ATOM 685 N PRO A 49 2.941 -2.475 -13.837 1.00 0.00 N ATOM 686 CA PRO A 49 4.243 -1.810 -13.941 1.00 0.00 C ATOM 687 C PRO A 49 4.221 -0.397 -13.368 1.00 0.00 C ATOM 688 O PRO A 49 5.071 -0.033 -12.556 1.00 0.00 O ATOM 689 CB PRO A 49 4.502 -1.771 -15.449 1.00 0.00 C ATOM 690 CG PRO A 49 3.147 -1.812 -16.068 1.00 0.00 C ATOM 691 CD PRO A 49 2.299 -2.650 -15.151 1.00 0.00 C ATOM 0 HA PRO A 49 5.014 -2.334 -13.375 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.041 -0.867 -15.735 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.109 -2.618 -15.768 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.735 -0.808 -16.172 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.187 -2.245 -17.067 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.263 -2.311 -15.140 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.289 -3.696 -15.457 1.00 0.00 H new ATOM 699 N ASP A 50 3.243 0.394 -13.794 1.00 0.00 N ATOM 700 CA ASP A 50 3.109 1.767 -13.322 1.00 0.00 C ATOM 701 C ASP A 50 3.071 1.815 -11.798 1.00 0.00 C ATOM 702 O ASP A 50 3.813 2.573 -11.171 1.00 0.00 O ATOM 703 CB ASP A 50 1.843 2.405 -13.896 1.00 0.00 C ATOM 704 CG ASP A 50 1.912 3.919 -13.908 1.00 0.00 C ATOM 705 OD1 ASP A 50 2.940 4.463 -14.366 1.00 0.00 O ATOM 706 OD2 ASP A 50 0.939 4.561 -13.461 1.00 0.00 O ATOM 0 H ASP A 50 2.531 0.108 -14.466 1.00 0.00 H new ATOM 0 HA ASP A 50 3.977 2.330 -13.665 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.686 2.043 -14.912 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.981 2.088 -13.308 1.00 0.00 H new ATOM 711 N THR A 51 2.202 1.003 -11.205 1.00 0.00 N ATOM 712 CA THR A 51 2.066 0.955 -9.755 1.00 0.00 C ATOM 713 C THR A 51 3.406 1.192 -9.069 1.00 0.00 C ATOM 714 O THR A 51 4.404 0.548 -9.396 1.00 0.00 O ATOM 715 CB THR A 51 1.495 -0.398 -9.289 1.00 0.00 C ATOM 716 OG1 THR A 51 0.166 -0.569 -9.793 1.00 0.00 O ATOM 717 CG2 THR A 51 1.482 -0.485 -7.770 1.00 0.00 C ATOM 0 H THR A 51 1.581 0.369 -11.708 1.00 0.00 H new ATOM 0 HA THR A 51 1.373 1.749 -9.476 1.00 0.00 H new ATOM 0 HB THR A 51 2.135 -1.190 -9.677 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.043 0.156 -10.418 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.075 -1.449 -7.464 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.499 -0.384 -7.391 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.863 0.315 -7.365 1.00 0.00 H new ATOM 725 N TYR A 52 3.423 2.117 -8.117 1.00 0.00 N ATOM 726 CA TYR A 52 4.642 2.440 -7.385 1.00 0.00 C ATOM 727 C TYR A 52 4.874 1.450 -6.248 1.00 0.00 C ATOM 728 O TYR A 52 5.998 1.004 -6.018 1.00 0.00 O ATOM 729 CB TYR A 52 4.567 3.863 -6.829 1.00 0.00 C ATOM 730 CG TYR A 52 5.841 4.317 -6.153 1.00 0.00 C ATOM 731 CD1 TYR A 52 6.997 4.546 -6.888 1.00 0.00 C ATOM 732 CD2 TYR A 52 5.887 4.519 -4.779 1.00 0.00 C ATOM 733 CE1 TYR A 52 8.163 4.960 -6.275 1.00 0.00 C ATOM 734 CE2 TYR A 52 7.049 4.934 -4.157 1.00 0.00 C ATOM 735 CZ TYR A 52 8.184 5.153 -4.909 1.00 0.00 C ATOM 736 OH TYR A 52 9.343 5.567 -4.294 1.00 0.00 O ATOM 0 H TYR A 52 2.606 2.657 -7.833 1.00 0.00 H new ATOM 0 HA TYR A 52 5.480 2.372 -8.079 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.332 4.550 -7.642 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.746 3.922 -6.115 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.984 4.398 -7.958 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.000 4.349 -4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.053 5.132 -6.861 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.068 5.086 -3.088 1.00 0.00 H new ATOM 0 HH TYR A 52 9.188 5.656 -3.330 1.00 0.00 H new ATOM 746 N CYS A 53 3.802 1.110 -5.541 1.00 0.00 N ATOM 747 CA CYS A 53 3.886 0.172 -4.427 1.00 0.00 C ATOM 748 C CYS A 53 2.501 -0.330 -4.033 1.00 0.00 C ATOM 749 O CYS A 53 1.492 0.318 -4.310 1.00 0.00 O ATOM 750 CB CYS A 53 4.563 0.834 -3.226 1.00 0.00 C ATOM 751 SG CYS A 53 3.746 2.343 -2.658 1.00 0.00 S ATOM 0 H CYS A 53 2.864 1.470 -5.719 1.00 0.00 H new ATOM 0 HA CYS A 53 4.484 -0.681 -4.747 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.597 0.120 -2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.595 1.069 -3.488 1.00 0.00 H new ATOM 0 HG CYS A 53 4.391 2.828 -1.639 1.00 0.00 H new ATOM 757 N VAL A 54 2.460 -1.490 -3.385 1.00 0.00 N ATOM 758 CA VAL A 54 1.199 -2.080 -2.953 1.00 0.00 C ATOM 759 C VAL A 54 0.929 -1.783 -1.482 1.00 0.00 C ATOM 760 O VAL A 54 1.842 -1.803 -0.657 1.00 0.00 O ATOM 761 CB VAL A 54 1.190 -3.606 -3.167 1.00 0.00 C ATOM 762 CG1 VAL A 54 0.009 -4.239 -2.448 1.00 0.00 C ATOM 763 CG2 VAL A 54 1.160 -3.935 -4.652 1.00 0.00 C ATOM 0 H VAL A 54 3.286 -2.040 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 54 0.415 -1.631 -3.562 1.00 0.00 H new ATOM 0 HB VAL A 54 2.106 -4.020 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.019 -5.317 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.080 -4.032 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.920 -3.822 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.154 -5.017 -4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.263 -3.509 -5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.042 -3.515 -5.136 1.00 0.00 H new ATOM 773 N ILE A 55 -0.331 -1.508 -1.162 1.00 0.00 N ATOM 774 CA ILE A 55 -0.722 -1.208 0.210 1.00 0.00 C ATOM 775 C ILE A 55 -1.629 -2.296 0.773 1.00 0.00 C ATOM 776 O ILE A 55 -2.796 -2.403 0.396 1.00 0.00 O ATOM 777 CB ILE A 55 -1.445 0.149 0.305 1.00 0.00 C ATOM 778 CG1 ILE A 55 -0.626 1.239 -0.388 1.00 0.00 C ATOM 779 CG2 ILE A 55 -1.697 0.513 1.761 1.00 0.00 C ATOM 780 CD1 ILE A 55 0.709 1.504 0.273 1.00 0.00 C ATOM 0 H ILE A 55 -1.098 -1.487 -1.834 1.00 0.00 H new ATOM 0 HA ILE A 55 0.195 -1.163 0.798 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.407 0.068 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.458 0.951 -1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.205 2.163 -0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.208 1.474 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.317 -0.253 2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.746 0.579 2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.235 2.288 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.548 1.823 1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.307 0.592 0.264 1.00 0.00 H new ATOM 792 N ALA A 56 -1.086 -3.101 1.681 1.00 0.00 N ATOM 793 CA ALA A 56 -1.847 -4.178 2.300 1.00 0.00 C ATOM 794 C ALA A 56 -1.550 -4.273 3.793 1.00 0.00 C ATOM 795 O ALA A 56 -0.420 -4.546 4.195 1.00 0.00 O ATOM 796 CB ALA A 56 -1.542 -5.502 1.614 1.00 0.00 C ATOM 0 H ALA A 56 -0.121 -3.027 2.004 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.907 -3.955 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.118 -6.298 2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.812 -5.436 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.478 -5.721 1.703 1.00 0.00 H new ATOM 802 N GLY A 57 -2.574 -4.045 4.611 1.00 0.00 N ATOM 803 CA GLY A 57 -2.401 -4.109 6.050 1.00 0.00 C ATOM 804 C GLY A 57 -2.247 -5.531 6.553 1.00 0.00 C ATOM 805 O GLY A 57 -1.543 -5.777 7.533 1.00 0.00 O ATOM 0 H GLY A 57 -3.519 -3.817 4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.522 -3.530 6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.259 -3.646 6.537 1.00 0.00 H new ATOM 809 N SER A 58 -2.908 -6.469 5.883 1.00 0.00 N ATOM 810 CA SER A 58 -2.846 -7.873 6.271 1.00 0.00 C ATOM 811 C SER A 58 -2.489 -8.752 5.076 1.00 0.00 C ATOM 812 O SER A 58 -2.990 -8.547 3.971 1.00 0.00 O ATOM 813 CB SER A 58 -4.183 -8.319 6.866 1.00 0.00 C ATOM 814 OG SER A 58 -4.296 -7.921 8.222 1.00 0.00 O ATOM 0 H SER A 58 -3.493 -6.282 5.069 1.00 0.00 H new ATOM 0 HA SER A 58 -2.067 -7.982 7.025 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.002 -7.891 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.274 -9.403 6.793 1.00 0.00 H new ATOM 0 HG SER A 58 -5.160 -8.216 8.579 1.00 0.00 H new ATOM 820 N GLU A 59 -1.620 -9.731 5.308 1.00 0.00 N ATOM 821 CA GLU A 59 -1.196 -10.640 4.250 1.00 0.00 C ATOM 822 C GLU A 59 -2.314 -11.613 3.887 1.00 0.00 C ATOM 823 O GLU A 59 -2.450 -12.674 4.494 1.00 0.00 O ATOM 824 CB GLU A 59 0.049 -11.417 4.684 1.00 0.00 C ATOM 825 CG GLU A 59 1.216 -10.527 5.076 1.00 0.00 C ATOM 826 CD GLU A 59 1.021 -9.871 6.429 1.00 0.00 C ATOM 827 OE1 GLU A 59 0.298 -10.446 7.269 1.00 0.00 O ATOM 828 OE2 GLU A 59 1.592 -8.782 6.648 1.00 0.00 O ATOM 0 H GLU A 59 -1.197 -9.915 6.218 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.956 -10.044 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.208 -12.057 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.360 -12.072 3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.131 -11.120 5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.350 -9.755 4.318 1.00 0.00 H new ATOM 835 N ASN A 60 -3.114 -11.241 2.892 1.00 0.00 N ATOM 836 CA ASN A 60 -4.222 -12.078 2.449 1.00 0.00 C ATOM 837 C ASN A 60 -3.890 -12.765 1.127 1.00 0.00 C ATOM 838 O ASN A 60 -2.852 -12.496 0.520 1.00 0.00 O ATOM 839 CB ASN A 60 -5.493 -11.240 2.295 1.00 0.00 C ATOM 840 CG ASN A 60 -5.239 -9.933 1.569 1.00 0.00 C ATOM 841 OD1 ASN A 60 -4.827 -8.944 2.175 1.00 0.00 O ATOM 842 ND2 ASN A 60 -5.485 -9.924 0.264 1.00 0.00 N ATOM 0 H ASN A 60 -3.015 -10.366 2.378 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.390 -12.845 3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.241 -11.816 1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.908 -11.030 3.281 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.333 -9.073 -0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.826 -10.768 -0.197 1.00 0.00 H new ATOM 849 N ILE A 61 -4.777 -13.651 0.688 1.00 0.00 N ATOM 850 CA ILE A 61 -4.579 -14.374 -0.562 1.00 0.00 C ATOM 851 C ILE A 61 -4.074 -13.445 -1.661 1.00 0.00 C ATOM 852 O ILE A 61 -2.947 -13.584 -2.137 1.00 0.00 O ATOM 853 CB ILE A 61 -5.879 -15.050 -1.034 1.00 0.00 C ATOM 854 CG1 ILE A 61 -6.325 -16.109 -0.023 1.00 0.00 C ATOM 855 CG2 ILE A 61 -5.685 -15.671 -2.409 1.00 0.00 C ATOM 856 CD1 ILE A 61 -5.225 -17.069 0.371 1.00 0.00 C ATOM 0 H ILE A 61 -5.640 -13.886 1.179 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.831 -15.142 -0.366 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.659 -14.292 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.699 -15.611 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.156 -16.675 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.613 -16.145 -2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.409 -14.895 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.893 -16.419 -2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.613 -17.791 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.866 -17.594 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.402 -16.514 0.822 1.00 0.00 H new ATOM 868 N ARG A 62 -4.916 -12.496 -2.058 1.00 0.00 N ATOM 869 CA ARG A 62 -4.556 -11.543 -3.101 1.00 0.00 C ATOM 870 C ARG A 62 -3.139 -11.015 -2.889 1.00 0.00 C ATOM 871 O ARG A 62 -2.262 -11.207 -3.731 1.00 0.00 O ATOM 872 CB ARG A 62 -5.547 -10.379 -3.122 1.00 0.00 C ATOM 873 CG ARG A 62 -6.991 -10.812 -3.322 1.00 0.00 C ATOM 874 CD ARG A 62 -7.206 -11.411 -4.703 1.00 0.00 C ATOM 875 NE ARG A 62 -6.977 -12.853 -4.715 1.00 0.00 N ATOM 876 CZ ARG A 62 -6.874 -13.571 -5.828 1.00 0.00 C ATOM 877 NH1 ARG A 62 -6.978 -12.984 -7.012 1.00 0.00 N ATOM 878 NH2 ARG A 62 -6.665 -14.880 -5.757 1.00 0.00 N ATOM 0 H ARG A 62 -5.852 -12.367 -1.673 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.593 -12.060 -4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.468 -9.829 -2.184 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.269 -9.691 -3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.262 -11.544 -2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.651 -9.955 -3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.223 -11.203 -5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.534 -10.931 -5.415 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.891 -13.335 -3.820 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.138 -11.978 -7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.898 -13.538 -7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.583 -15.335 -4.848 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.586 -15.431 -6.612 1.00 0.00 H new ATOM 892 N VAL A 63 -2.925 -10.349 -1.759 1.00 0.00 N ATOM 893 CA VAL A 63 -1.616 -9.794 -1.436 1.00 0.00 C ATOM 894 C VAL A 63 -0.510 -10.816 -1.679 1.00 0.00 C ATOM 895 O VAL A 63 0.557 -10.482 -2.193 1.00 0.00 O ATOM 896 CB VAL A 63 -1.552 -9.323 0.029 1.00 0.00 C ATOM 897 CG1 VAL A 63 -0.170 -8.778 0.355 1.00 0.00 C ATOM 898 CG2 VAL A 63 -2.624 -8.279 0.300 1.00 0.00 C ATOM 0 H VAL A 63 -3.641 -10.181 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.465 -8.937 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.740 -10.180 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.144 -8.450 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.575 -9.559 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.051 -7.933 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.564 -7.957 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.470 -7.421 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.607 -8.709 0.109 1.00 0.00 H new ATOM 908 N LYS A 64 -0.773 -12.063 -1.305 1.00 0.00 N ATOM 909 CA LYS A 64 0.198 -13.136 -1.483 1.00 0.00 C ATOM 910 C LYS A 64 0.662 -13.215 -2.934 1.00 0.00 C ATOM 911 O LYS A 64 1.848 -13.062 -3.225 1.00 0.00 O ATOM 912 CB LYS A 64 -0.407 -14.476 -1.057 1.00 0.00 C ATOM 913 CG LYS A 64 0.622 -15.481 -0.569 1.00 0.00 C ATOM 914 CD LYS A 64 0.045 -16.885 -0.509 1.00 0.00 C ATOM 915 CE LYS A 64 1.029 -17.866 0.109 1.00 0.00 C ATOM 916 NZ LYS A 64 0.602 -19.279 -0.088 1.00 0.00 N ATOM 0 H LYS A 64 -1.651 -12.356 -0.876 1.00 0.00 H new ATOM 0 HA LYS A 64 1.062 -12.918 -0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.135 -14.301 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.949 -14.904 -1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.486 -15.470 -1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.976 -15.190 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.876 -16.876 0.074 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.217 -17.215 -1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.014 -17.719 -0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.125 -17.661 1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.299 -19.916 0.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.327 -19.426 0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.535 -19.483 -1.106 1.00 0.00 H new ATOM 930 N ASN A 65 -0.281 -13.453 -3.840 1.00 0.00 N ATOM 931 CA ASN A 65 0.033 -13.550 -5.261 1.00 0.00 C ATOM 932 C ASN A 65 1.081 -12.516 -5.659 1.00 0.00 C ATOM 933 O ASN A 65 2.095 -12.851 -6.274 1.00 0.00 O ATOM 934 CB ASN A 65 -1.234 -13.357 -6.098 1.00 0.00 C ATOM 935 CG ASN A 65 -1.967 -14.661 -6.347 1.00 0.00 C ATOM 936 OD1 ASN A 65 -1.674 -15.378 -7.304 1.00 0.00 O ATOM 937 ND2 ASN A 65 -2.926 -14.975 -5.484 1.00 0.00 N ATOM 0 H ASN A 65 -1.268 -13.582 -3.616 1.00 0.00 H new ATOM 0 HA ASN A 65 0.439 -14.544 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.900 -12.661 -5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.969 -12.904 -7.053 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.453 -15.840 -5.600 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.135 -14.351 -4.705 1.00 0.00 H new ATOM 944 N ILE A 66 0.831 -11.261 -5.305 1.00 0.00 N ATOM 945 CA ILE A 66 1.754 -10.179 -5.624 1.00 0.00 C ATOM 946 C ILE A 66 3.132 -10.438 -5.025 1.00 0.00 C ATOM 947 O ILE A 66 4.149 -10.323 -5.710 1.00 0.00 O ATOM 948 CB ILE A 66 1.231 -8.823 -5.112 1.00 0.00 C ATOM 949 CG1 ILE A 66 0.036 -8.364 -5.949 1.00 0.00 C ATOM 950 CG2 ILE A 66 2.339 -7.782 -5.145 1.00 0.00 C ATOM 951 CD1 ILE A 66 -1.240 -9.120 -5.646 1.00 0.00 C ATOM 0 H ILE A 66 -0.003 -10.968 -4.797 1.00 0.00 H new ATOM 0 HA ILE A 66 1.833 -10.142 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 66 0.903 -8.943 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.131 -7.301 -5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.276 -8.481 -7.006 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.954 -6.830 -4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.163 -8.107 -4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.695 -7.662 -6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.045 -8.742 -6.276 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.090 -10.181 -5.846 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.504 -8.982 -4.598 1.00 0.00 H new ATOM 963 N ILE A 67 3.158 -10.790 -3.744 1.00 0.00 N ATOM 964 CA ILE A 67 4.412 -11.069 -3.055 1.00 0.00 C ATOM 965 C ILE A 67 5.273 -12.043 -3.852 1.00 0.00 C ATOM 966 O ILE A 67 6.434 -11.760 -4.152 1.00 0.00 O ATOM 967 CB ILE A 67 4.164 -11.651 -1.650 1.00 0.00 C ATOM 968 CG1 ILE A 67 3.457 -10.622 -0.765 1.00 0.00 C ATOM 969 CG2 ILE A 67 5.478 -12.087 -1.019 1.00 0.00 C ATOM 970 CD1 ILE A 67 3.123 -11.141 0.616 1.00 0.00 C ATOM 0 H ILE A 67 2.326 -10.889 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 67 4.938 -10.119 -2.959 1.00 0.00 H new ATOM 0 HB ILE A 67 3.520 -12.525 -1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.091 -9.740 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.538 -10.302 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.287 -12.496 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.946 -12.849 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.144 -11.228 -0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.624 -10.359 1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.464 -12.005 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.041 -11.434 1.126 1.00 0.00 H new ATOM 982 N LEU A 68 4.698 -13.190 -4.193 1.00 0.00 N ATOM 983 CA LEU A 68 5.412 -14.207 -4.958 1.00 0.00 C ATOM 984 C LEU A 68 6.177 -13.578 -6.117 1.00 0.00 C ATOM 985 O LEU A 68 7.398 -13.703 -6.209 1.00 0.00 O ATOM 986 CB LEU A 68 4.433 -15.256 -5.487 1.00 0.00 C ATOM 987 CG LEU A 68 3.494 -15.880 -4.454 1.00 0.00 C ATOM 988 CD1 LEU A 68 2.616 -16.939 -5.102 1.00 0.00 C ATOM 989 CD2 LEU A 68 4.289 -16.475 -3.302 1.00 0.00 C ATOM 0 H LEU A 68 3.739 -13.440 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 68 6.128 -14.690 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.827 -14.797 -6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.007 -16.055 -5.956 1.00 0.00 H new ATOM 0 HG LEU A 68 2.849 -15.096 -4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.954 -17.372 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.019 -16.483 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.244 -17.722 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.605 -16.915 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.959 -17.246 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.874 -15.691 -2.821 1.00 0.00 H new ATOM 1001 N SER A 69 5.451 -12.899 -7.001 1.00 0.00 N ATOM 1002 CA SER A 69 6.062 -12.252 -8.156 1.00 0.00 C ATOM 1003 C SER A 69 7.289 -11.446 -7.741 1.00 0.00 C ATOM 1004 O SER A 69 8.212 -11.250 -8.530 1.00 0.00 O ATOM 1005 CB SER A 69 5.049 -11.339 -8.849 1.00 0.00 C ATOM 1006 OG SER A 69 5.047 -10.045 -8.270 1.00 0.00 O ATOM 0 H SER A 69 4.440 -12.783 -6.939 1.00 0.00 H new ATOM 0 HA SER A 69 6.378 -13.029 -8.853 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.288 -11.265 -9.910 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.053 -11.775 -8.776 1.00 0.00 H new ATOM 0 HG SER A 69 4.698 -10.096 -7.356 1.00 0.00 H new ATOM 1012 N ASN A 70 7.291 -10.981 -6.496 1.00 0.00 N ATOM 1013 CA ASN A 70 8.404 -10.196 -5.975 1.00 0.00 C ATOM 1014 C ASN A 70 8.732 -9.033 -6.906 1.00 0.00 C ATOM 1015 O ASN A 70 9.881 -8.850 -7.309 1.00 0.00 O ATOM 1016 CB ASN A 70 9.638 -11.081 -5.792 1.00 0.00 C ATOM 1017 CG ASN A 70 9.674 -11.750 -4.431 1.00 0.00 C ATOM 1018 OD1 ASN A 70 8.812 -12.567 -4.106 1.00 0.00 O ATOM 1019 ND2 ASN A 70 10.673 -11.405 -3.628 1.00 0.00 N ATOM 0 H ASN A 70 6.534 -11.134 -5.829 1.00 0.00 H new ATOM 0 HA ASN A 70 8.109 -9.791 -5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.652 -11.845 -6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.537 -10.478 -5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.748 -11.821 -2.700 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.365 -10.723 -3.939 1.00 0.00 H new ATOM 1026 N LYS A 71 7.714 -8.248 -7.244 1.00 0.00 N ATOM 1027 CA LYS A 71 7.893 -7.100 -8.126 1.00 0.00 C ATOM 1028 C LYS A 71 7.287 -5.843 -7.511 1.00 0.00 C ATOM 1029 O LYS A 71 7.868 -4.760 -7.590 1.00 0.00 O ATOM 1030 CB LYS A 71 7.253 -7.374 -9.489 1.00 0.00 C ATOM 1031 CG LYS A 71 8.026 -8.371 -10.334 1.00 0.00 C ATOM 1032 CD LYS A 71 9.085 -7.682 -11.179 1.00 0.00 C ATOM 1033 CE LYS A 71 8.501 -7.149 -12.478 1.00 0.00 C ATOM 1034 NZ LYS A 71 9.548 -6.959 -13.521 1.00 0.00 N ATOM 0 H LYS A 71 6.757 -8.386 -6.921 1.00 0.00 H new ATOM 0 HA LYS A 71 8.963 -6.938 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.240 -7.747 -9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.168 -6.435 -10.036 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.499 -9.109 -9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.337 -8.912 -10.982 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.526 -6.861 -10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.889 -8.384 -11.401 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.743 -7.841 -12.846 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.001 -6.199 -12.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.109 -6.595 -14.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.258 -6.280 -13.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.008 -7.870 -13.721 1.00 0.00 H new ATOM 1048 N HIS A 72 6.117 -5.993 -6.899 1.00 0.00 N ATOM 1049 CA HIS A 72 5.433 -4.869 -6.269 1.00 0.00 C ATOM 1050 C HIS A 72 5.532 -4.955 -4.749 1.00 0.00 C ATOM 1051 O HIS A 72 4.658 -5.520 -4.092 1.00 0.00 O ATOM 1052 CB HIS A 72 3.966 -4.833 -6.695 1.00 0.00 C ATOM 1053 CG HIS A 72 3.731 -5.355 -8.080 1.00 0.00 C ATOM 1054 ND1 HIS A 72 3.700 -6.700 -8.382 1.00 0.00 N ATOM 1055 CD2 HIS A 72 3.513 -4.704 -9.246 1.00 0.00 C ATOM 1056 CE1 HIS A 72 3.476 -6.854 -9.674 1.00 0.00 C ATOM 1057 NE2 HIS A 72 3.358 -5.658 -10.222 1.00 0.00 N ATOM 0 H HIS A 72 5.622 -6.882 -6.826 1.00 0.00 H new ATOM 0 HA HIS A 72 5.920 -3.950 -6.596 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.377 -5.419 -5.990 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.604 -3.806 -6.636 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.469 -3.634 -9.384 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.402 -7.797 -10.194 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.181 -5.473 -11.209 1.00 0.00 H new ATOM 1065 N ASP A 73 6.602 -4.393 -4.198 1.00 0.00 N ATOM 1066 CA ASP A 73 6.815 -4.407 -2.755 1.00 0.00 C ATOM 1067 C ASP A 73 5.506 -4.160 -2.010 1.00 0.00 C ATOM 1068 O ASP A 73 4.570 -3.576 -2.556 1.00 0.00 O ATOM 1069 CB ASP A 73 7.848 -3.351 -2.360 1.00 0.00 C ATOM 1070 CG ASP A 73 8.587 -3.711 -1.087 1.00 0.00 C ATOM 1071 OD1 ASP A 73 7.953 -4.279 -0.173 1.00 0.00 O ATOM 1072 OD2 ASP A 73 9.799 -3.425 -1.004 1.00 0.00 O ATOM 0 H ASP A 73 7.335 -3.922 -4.728 1.00 0.00 H new ATOM 0 HA ASP A 73 7.190 -5.392 -2.478 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.566 -3.228 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.349 -2.391 -2.228 1.00 0.00 H new ATOM 1077 N VAL A 74 5.449 -4.609 -0.761 1.00 0.00 N ATOM 1078 CA VAL A 74 4.255 -4.437 0.059 1.00 0.00 C ATOM 1079 C VAL A 74 4.490 -3.411 1.163 1.00 0.00 C ATOM 1080 O VAL A 74 5.508 -3.449 1.854 1.00 0.00 O ATOM 1081 CB VAL A 74 3.815 -5.768 0.696 1.00 0.00 C ATOM 1082 CG1 VAL A 74 2.435 -5.630 1.322 1.00 0.00 C ATOM 1083 CG2 VAL A 74 3.831 -6.884 -0.338 1.00 0.00 C ATOM 0 H VAL A 74 6.215 -5.095 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 74 3.465 -4.081 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 74 4.522 -6.024 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.141 -6.580 1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.461 -4.860 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.714 -5.350 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.517 -7.817 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.147 -6.637 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.840 -6.998 -0.735 1.00 0.00 H new ATOM 1093 N VAL A 75 3.541 -2.495 1.324 1.00 0.00 N ATOM 1094 CA VAL A 75 3.643 -1.459 2.345 1.00 0.00 C ATOM 1095 C VAL A 75 2.368 -1.379 3.176 1.00 0.00 C ATOM 1096 O VAL A 75 1.271 -1.634 2.677 1.00 0.00 O ATOM 1097 CB VAL A 75 3.922 -0.080 1.719 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.505 0.869 2.755 1.00 0.00 C ATOM 1099 CG2 VAL A 75 4.854 -0.215 0.524 1.00 0.00 C ATOM 0 H VAL A 75 2.692 -2.449 0.760 1.00 0.00 H new ATOM 0 HA VAL A 75 4.477 -1.732 2.991 1.00 0.00 H new ATOM 0 HB VAL A 75 2.978 0.338 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.696 1.838 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.798 0.990 3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.440 0.460 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.040 0.769 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.798 -0.654 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.393 -0.857 -0.226 1.00 0.00 H new ATOM 1109 N LYS A 76 2.518 -1.023 4.447 1.00 0.00 N ATOM 1110 CA LYS A 76 1.379 -0.908 5.350 1.00 0.00 C ATOM 1111 C LYS A 76 0.527 0.308 4.997 1.00 0.00 C ATOM 1112 O LYS A 76 1.027 1.332 4.533 1.00 0.00 O ATOM 1113 CB LYS A 76 1.859 -0.804 6.799 1.00 0.00 C ATOM 1114 CG LYS A 76 2.211 -2.145 7.420 1.00 0.00 C ATOM 1115 CD LYS A 76 2.729 -1.983 8.839 1.00 0.00 C ATOM 1116 CE LYS A 76 2.933 -3.331 9.516 1.00 0.00 C ATOM 1117 NZ LYS A 76 3.405 -3.181 10.920 1.00 0.00 N ATOM 0 H LYS A 76 3.418 -0.809 4.876 1.00 0.00 H new ATOM 0 HA LYS A 76 0.767 -1.804 5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.733 -0.154 6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.082 -0.329 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.330 -2.787 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.966 -2.642 6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.672 -1.436 8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.025 -1.386 9.419 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.996 -3.888 9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.658 -3.916 8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.532 -4.121 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.312 -2.672 10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.702 -2.645 11.467 1.00 0.00 H new ATOM 1131 N PRO A 77 -0.790 0.194 5.225 1.00 0.00 N ATOM 1132 CA PRO A 77 -1.739 1.275 4.940 1.00 0.00 C ATOM 1133 C PRO A 77 -1.577 2.454 5.893 1.00 0.00 C ATOM 1134 O PRO A 77 -2.223 3.489 5.731 1.00 0.00 O ATOM 1135 CB PRO A 77 -3.103 0.611 5.138 1.00 0.00 C ATOM 1136 CG PRO A 77 -2.845 -0.512 6.083 1.00 0.00 C ATOM 1137 CD PRO A 77 -1.455 -0.998 5.777 1.00 0.00 C ATOM 0 HA PRO A 77 -1.594 1.693 3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.829 1.313 5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.507 0.248 4.193 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.923 -0.177 7.117 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.576 -1.310 5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.950 -1.361 6.672 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.465 -1.820 5.061 1.00 0.00 H new ATOM 1145 N ALA A 78 -0.709 2.292 6.886 1.00 0.00 N ATOM 1146 CA ALA A 78 -0.460 3.344 7.864 1.00 0.00 C ATOM 1147 C ALA A 78 0.487 4.400 7.304 1.00 0.00 C ATOM 1148 O ALA A 78 0.207 5.597 7.373 1.00 0.00 O ATOM 1149 CB ALA A 78 0.105 2.751 9.146 1.00 0.00 C ATOM 0 H ALA A 78 -0.166 1.441 7.035 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.410 3.828 8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.286 3.548 9.867 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.608 2.040 9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.042 2.239 8.928 1.00 0.00 H new ATOM 1155 N TRP A 79 1.608 3.950 6.752 1.00 0.00 N ATOM 1156 CA TRP A 79 2.597 4.857 6.182 1.00 0.00 C ATOM 1157 C TRP A 79 1.924 5.938 5.343 1.00 0.00 C ATOM 1158 O TRP A 79 2.387 7.078 5.294 1.00 0.00 O ATOM 1159 CB TRP A 79 3.599 4.080 5.326 1.00 0.00 C ATOM 1160 CG TRP A 79 4.342 4.942 4.351 1.00 0.00 C ATOM 1161 CD1 TRP A 79 5.315 5.855 4.641 1.00 0.00 C ATOM 1162 CD2 TRP A 79 4.171 4.972 2.930 1.00 0.00 C ATOM 1163 NE1 TRP A 79 5.759 6.452 3.485 1.00 0.00 N ATOM 1164 CE2 TRP A 79 5.073 5.926 2.422 1.00 0.00 C ATOM 1165 CE3 TRP A 79 3.344 4.284 2.037 1.00 0.00 C ATOM 1166 CZ2 TRP A 79 5.170 6.209 1.062 1.00 0.00 C ATOM 1167 CZ3 TRP A 79 3.441 4.566 0.688 1.00 0.00 C ATOM 1168 CH2 TRP A 79 4.349 5.521 0.211 1.00 0.00 C ATOM 0 H TRP A 79 1.855 2.962 6.687 1.00 0.00 H new ATOM 0 HA TRP A 79 3.128 5.338 7.003 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.316 3.583 5.980 1.00 0.00 H new ATOM 0 HB3 TRP A 79 3.070 3.299 4.780 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.682 6.076 5.633 1.00 0.00 H new ATOM 0 HE1 TRP A 79 6.482 7.170 3.428 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.642 3.545 2.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 5.868 6.945 0.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 2.806 4.042 -0.011 1.00 0.00 H new ATOM 0 HH2 TRP A 79 4.402 5.718 -0.850 1.00 0.00 H new ATOM 1179 N LEU A 80 0.830 5.573 4.683 1.00 0.00 N ATOM 1180 CA LEU A 80 0.093 6.513 3.846 1.00 0.00 C ATOM 1181 C LEU A 80 -0.500 7.640 4.684 1.00 0.00 C ATOM 1182 O LEU A 80 -0.473 8.806 4.286 1.00 0.00 O ATOM 1183 CB LEU A 80 -1.019 5.786 3.087 1.00 0.00 C ATOM 1184 CG LEU A 80 -0.611 5.119 1.774 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -1.794 4.391 1.154 1.00 0.00 C ATOM 1186 CD2 LEU A 80 -0.049 6.148 0.804 1.00 0.00 C ATOM 0 H LEU A 80 0.434 4.633 4.711 1.00 0.00 H new ATOM 0 HA LEU A 80 0.790 6.947 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.440 5.024 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.815 6.501 2.876 1.00 0.00 H new ATOM 0 HG LEU A 80 0.168 4.387 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.484 3.922 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.152 3.626 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.595 5.103 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.236 5.655 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.806 6.904 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.827 6.624 1.245 1.00 0.00 H new ATOM 1198 N LEU A 81 -1.035 7.287 5.848 1.00 0.00 N ATOM 1199 CA LEU A 81 -1.633 8.270 6.745 1.00 0.00 C ATOM 1200 C LEU A 81 -0.615 9.332 7.146 1.00 0.00 C ATOM 1201 O LEU A 81 -0.944 10.513 7.247 1.00 0.00 O ATOM 1202 CB LEU A 81 -2.185 7.579 7.993 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.381 6.652 7.774 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.750 5.942 9.067 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.571 7.434 7.235 1.00 0.00 C ATOM 0 H LEU A 81 -1.067 6.328 6.193 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.451 8.759 6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.381 7.001 8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.473 8.347 8.711 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.102 5.899 7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.603 5.287 8.892 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.902 5.350 9.412 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.009 6.680 9.826 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.413 6.758 7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.850 8.209 7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.303 7.896 6.285 1.00 0.00 H new ATOM 1217 N GLU A 82 0.624 8.903 7.371 1.00 0.00 N ATOM 1218 CA GLU A 82 1.690 9.818 7.759 1.00 0.00 C ATOM 1219 C GLU A 82 1.786 10.987 6.783 1.00 0.00 C ATOM 1220 O GLU A 82 2.254 12.070 7.137 1.00 0.00 O ATOM 1221 CB GLU A 82 3.029 9.080 7.821 1.00 0.00 C ATOM 1222 CG GLU A 82 3.307 8.437 9.169 1.00 0.00 C ATOM 1223 CD GLU A 82 4.035 9.367 10.120 1.00 0.00 C ATOM 1224 OE1 GLU A 82 3.758 10.585 10.086 1.00 0.00 O ATOM 1225 OE2 GLU A 82 4.881 8.879 10.898 1.00 0.00 O ATOM 0 H GLU A 82 0.913 7.928 7.291 1.00 0.00 H new ATOM 0 HA GLU A 82 1.454 10.211 8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.046 8.310 7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.831 9.780 7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.365 8.127 9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.902 7.536 9.022 1.00 0.00 H new ATOM 1232 N CYS A 83 1.340 10.760 5.552 1.00 0.00 N ATOM 1233 CA CYS A 83 1.376 11.794 4.523 1.00 0.00 C ATOM 1234 C CYS A 83 0.117 12.653 4.570 1.00 0.00 C ATOM 1235 O CYS A 83 0.154 13.845 4.267 1.00 0.00 O ATOM 1236 CB CYS A 83 1.524 11.159 3.139 1.00 0.00 C ATOM 1237 SG CYS A 83 2.648 9.743 3.093 1.00 0.00 S ATOM 0 H CYS A 83 0.950 9.870 5.242 1.00 0.00 H new ATOM 0 HA CYS A 83 2.237 12.434 4.716 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.542 10.841 2.790 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.881 11.916 2.440 1.00 0.00 H new ATOM 0 HG CYS A 83 2.322 8.900 4.027 1.00 0.00 H new ATOM 1243 N PHE A 84 -0.998 12.038 4.951 1.00 0.00 N ATOM 1244 CA PHE A 84 -2.271 12.746 5.035 1.00 0.00 C ATOM 1245 C PHE A 84 -2.297 13.675 6.245 1.00 0.00 C ATOM 1246 O PHE A 84 -3.077 14.626 6.295 1.00 0.00 O ATOM 1247 CB PHE A 84 -3.428 11.748 5.119 1.00 0.00 C ATOM 1248 CG PHE A 84 -3.526 10.842 3.925 1.00 0.00 C ATOM 1249 CD1 PHE A 84 -3.288 11.328 2.649 1.00 0.00 C ATOM 1250 CD2 PHE A 84 -3.856 9.505 4.078 1.00 0.00 C ATOM 1251 CE1 PHE A 84 -3.378 10.496 1.549 1.00 0.00 C ATOM 1252 CE2 PHE A 84 -3.947 8.669 2.982 1.00 0.00 C ATOM 1253 CZ PHE A 84 -3.707 9.165 1.715 1.00 0.00 C ATOM 0 H PHE A 84 -1.046 11.052 5.206 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.384 13.349 4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.309 11.141 6.017 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.364 12.297 5.226 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.030 12.368 2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.044 9.112 5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.191 10.887 0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.205 7.629 3.115 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.777 8.513 0.856 1.00 0.00 H new ATOM 1263 N LYS A 85 -1.439 13.392 7.220 1.00 0.00 N ATOM 1264 CA LYS A 85 -1.362 14.201 8.430 1.00 0.00 C ATOM 1265 C LYS A 85 -0.277 15.266 8.304 1.00 0.00 C ATOM 1266 O LYS A 85 -0.382 16.347 8.885 1.00 0.00 O ATOM 1267 CB LYS A 85 -1.081 13.314 9.645 1.00 0.00 C ATOM 1268 CG LYS A 85 -0.875 14.092 10.932 1.00 0.00 C ATOM 1269 CD LYS A 85 -1.246 13.263 12.151 1.00 0.00 C ATOM 1270 CE LYS A 85 -0.569 13.787 13.408 1.00 0.00 C ATOM 1271 NZ LYS A 85 -1.160 13.199 14.642 1.00 0.00 N ATOM 0 H LYS A 85 -0.787 12.608 7.195 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.322 14.699 8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.912 12.621 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.193 12.713 9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.167 14.404 11.007 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.479 14.999 10.910 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.327 13.277 12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.958 12.224 11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.496 13.557 13.370 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.659 14.873 13.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.672 13.581 15.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.171 13.440 14.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.051 12.165 14.620 1.00 0.00 H new ATOM 1285 N THR A 86 0.766 14.955 7.540 1.00 0.00 N ATOM 1286 CA THR A 86 1.869 15.885 7.338 1.00 0.00 C ATOM 1287 C THR A 86 1.799 16.530 5.958 1.00 0.00 C ATOM 1288 O THR A 86 2.540 17.467 5.661 1.00 0.00 O ATOM 1289 CB THR A 86 3.232 15.184 7.496 1.00 0.00 C ATOM 1290 OG1 THR A 86 3.540 14.441 6.311 1.00 0.00 O ATOM 1291 CG2 THR A 86 3.224 14.251 8.697 1.00 0.00 C ATOM 0 H THR A 86 0.869 14.066 7.051 1.00 0.00 H new ATOM 0 HA THR A 86 1.775 16.657 8.102 1.00 0.00 H new ATOM 0 HB THR A 86 3.993 15.948 7.654 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.169 13.537 6.386 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.197 13.767 8.788 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.017 14.824 9.601 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.453 13.492 8.563 1.00 0.00 H new ATOM 1299 N LYS A 87 0.904 16.022 5.118 1.00 0.00 N ATOM 1300 CA LYS A 87 0.735 16.549 3.769 1.00 0.00 C ATOM 1301 C LYS A 87 2.075 16.633 3.046 1.00 0.00 C ATOM 1302 O LYS A 87 2.362 17.616 2.362 1.00 0.00 O ATOM 1303 CB LYS A 87 0.081 17.932 3.818 1.00 0.00 C ATOM 1304 CG LYS A 87 -1.425 17.887 4.004 1.00 0.00 C ATOM 1305 CD LYS A 87 -1.802 17.751 5.470 1.00 0.00 C ATOM 1306 CE LYS A 87 -3.295 17.949 5.683 1.00 0.00 C ATOM 1307 NZ LYS A 87 -4.074 16.735 5.314 1.00 0.00 N ATOM 0 H LYS A 87 0.284 15.245 5.348 1.00 0.00 H new ATOM 0 HA LYS A 87 0.087 15.867 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.522 18.504 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.309 18.465 2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.870 18.794 3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.837 17.049 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.509 16.765 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.249 18.484 6.058 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.483 18.197 6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.638 18.795 5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.091 16.933 5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.863 16.473 4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.814 15.950 5.945 1.00 0.00 H new ATOM 1321 N SER A 88 2.892 15.596 3.200 1.00 0.00 N ATOM 1322 CA SER A 88 4.203 15.555 2.563 1.00 0.00 C ATOM 1323 C SER A 88 4.575 14.126 2.177 1.00 0.00 C ATOM 1324 O SER A 88 3.979 13.165 2.663 1.00 0.00 O ATOM 1325 CB SER A 88 5.266 16.135 3.498 1.00 0.00 C ATOM 1326 OG SER A 88 6.330 16.716 2.764 1.00 0.00 O ATOM 0 H SER A 88 2.669 14.773 3.760 1.00 0.00 H new ATOM 0 HA SER A 88 4.158 16.158 1.656 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.814 16.886 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.654 15.348 4.145 1.00 0.00 H new ATOM 0 HG SER A 88 6.995 17.081 3.385 1.00 0.00 H new ATOM 1332 N PHE A 89 5.564 13.996 1.299 1.00 0.00 N ATOM 1333 CA PHE A 89 6.015 12.686 0.845 1.00 0.00 C ATOM 1334 C PHE A 89 6.908 12.025 1.892 1.00 0.00 C ATOM 1335 O PHE A 89 8.126 12.203 1.887 1.00 0.00 O ATOM 1336 CB PHE A 89 6.772 12.813 -0.479 1.00 0.00 C ATOM 1337 CG PHE A 89 6.680 11.588 -1.342 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.338 10.422 -0.985 1.00 0.00 C ATOM 1339 CD2 PHE A 89 5.937 11.602 -2.511 1.00 0.00 C ATOM 1340 CE1 PHE A 89 7.256 9.292 -1.777 1.00 0.00 C ATOM 1341 CE2 PHE A 89 5.851 10.475 -3.307 1.00 0.00 C ATOM 1342 CZ PHE A 89 6.512 9.319 -2.940 1.00 0.00 C ATOM 0 H PHE A 89 6.068 14.782 0.888 1.00 0.00 H new ATOM 0 HA PHE A 89 5.136 12.060 0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.381 13.667 -1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.821 13.022 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.922 10.396 -0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.419 12.503 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 89 7.773 8.389 -1.487 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.267 10.498 -4.215 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.447 8.438 -3.561 1.00 0.00 H new ATOM 1352 N VAL A 90 6.292 11.263 2.790 1.00 0.00 N ATOM 1353 CA VAL A 90 7.029 10.575 3.843 1.00 0.00 C ATOM 1354 C VAL A 90 7.926 9.486 3.265 1.00 0.00 C ATOM 1355 O VAL A 90 7.505 8.673 2.441 1.00 0.00 O ATOM 1356 CB VAL A 90 6.075 9.945 4.876 1.00 0.00 C ATOM 1357 CG1 VAL A 90 6.859 9.159 5.916 1.00 0.00 C ATOM 1358 CG2 VAL A 90 5.223 11.018 5.538 1.00 0.00 C ATOM 0 H VAL A 90 5.284 11.107 2.809 1.00 0.00 H new ATOM 0 HA VAL A 90 7.646 11.324 4.339 1.00 0.00 H new ATOM 0 HB VAL A 90 5.410 9.254 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.169 8.721 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.422 8.366 5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.549 9.826 6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.555 10.555 6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.869 11.735 6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.633 11.533 4.780 1.00 0.00 H new ATOM 1368 N PRO A 91 9.192 9.466 3.707 1.00 0.00 N ATOM 1369 CA PRO A 91 10.175 8.481 3.247 1.00 0.00 C ATOM 1370 C PRO A 91 9.872 7.077 3.759 1.00 0.00 C ATOM 1371 O PRO A 91 9.420 6.903 4.891 1.00 0.00 O ATOM 1372 CB PRO A 91 11.492 8.992 3.837 1.00 0.00 C ATOM 1373 CG PRO A 91 11.089 9.787 5.031 1.00 0.00 C ATOM 1374 CD PRO A 91 9.762 10.404 4.688 1.00 0.00 C ATOM 0 HA PRO A 91 10.185 8.392 2.161 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.148 8.167 4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 91 12.036 9.605 3.119 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.008 9.152 5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.829 10.554 5.257 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.125 10.502 5.567 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.880 11.403 4.267 1.00 0.00 H new ATOM 1382 N TRP A 92 10.123 6.079 2.920 1.00 0.00 N ATOM 1383 CA TRP A 92 9.877 4.690 3.289 1.00 0.00 C ATOM 1384 C TRP A 92 10.707 4.294 4.505 1.00 0.00 C ATOM 1385 O TRP A 92 11.884 4.639 4.602 1.00 0.00 O ATOM 1386 CB TRP A 92 10.198 3.764 2.114 1.00 0.00 C ATOM 1387 CG TRP A 92 9.072 3.637 1.133 1.00 0.00 C ATOM 1388 CD1 TRP A 92 7.930 4.385 1.095 1.00 0.00 C ATOM 1389 CD2 TRP A 92 8.979 2.705 0.051 1.00 0.00 C ATOM 1390 NE1 TRP A 92 7.133 3.974 0.054 1.00 0.00 N ATOM 1391 CE2 TRP A 92 7.755 2.945 -0.603 1.00 0.00 C ATOM 1392 CE3 TRP A 92 9.812 1.692 -0.431 1.00 0.00 C ATOM 1393 CZ2 TRP A 92 7.345 2.208 -1.711 1.00 0.00 C ATOM 1394 CZ3 TRP A 92 9.404 0.961 -1.531 1.00 0.00 C ATOM 1395 CH2 TRP A 92 8.181 1.222 -2.161 1.00 0.00 C ATOM 0 H TRP A 92 10.497 6.206 1.979 1.00 0.00 H new ATOM 0 HA TRP A 92 8.822 4.590 3.544 1.00 0.00 H new ATOM 0 HB2 TRP A 92 11.081 4.139 1.596 1.00 0.00 H new ATOM 0 HB3 TRP A 92 10.449 2.775 2.498 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.689 5.182 1.782 1.00 0.00 H new ATOM 0 HE1 TRP A 92 6.226 4.371 -0.190 1.00 0.00 H new ATOM 0 HE3 TRP A 92 10.758 1.484 0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 6.402 2.407 -2.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 10.040 0.175 -1.911 1.00 0.00 H new ATOM 0 HH2 TRP A 92 7.892 0.634 -3.019 1.00 0.00 H new ATOM 1406 N GLN A 93 10.086 3.570 5.430 1.00 0.00 N ATOM 1407 CA GLN A 93 10.769 3.128 6.640 1.00 0.00 C ATOM 1408 C GLN A 93 10.722 1.609 6.769 1.00 0.00 C ATOM 1409 O GLN A 93 9.841 0.943 6.225 1.00 0.00 O ATOM 1410 CB GLN A 93 10.136 3.776 7.873 1.00 0.00 C ATOM 1411 CG GLN A 93 10.463 5.253 8.020 1.00 0.00 C ATOM 1412 CD GLN A 93 10.302 5.748 9.444 1.00 0.00 C ATOM 1413 OE1 GLN A 93 10.345 4.965 10.394 1.00 0.00 O ATOM 1414 NE2 GLN A 93 10.115 7.053 9.600 1.00 0.00 N ATOM 0 H GLN A 93 9.111 3.277 5.365 1.00 0.00 H new ATOM 0 HA GLN A 93 11.812 3.436 6.571 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.054 3.655 7.821 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.473 3.247 8.765 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.488 5.429 7.692 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.814 5.832 7.363 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.086 7.665 8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.000 7.444 10.535 1.00 0.00 H new ATOM 1423 N PRO A 94 11.693 1.047 7.504 1.00 0.00 N ATOM 1424 CA PRO A 94 11.785 -0.400 7.721 1.00 0.00 C ATOM 1425 C PRO A 94 10.668 -0.923 8.617 1.00 0.00 C ATOM 1426 O PRO A 94 10.513 -2.132 8.790 1.00 0.00 O ATOM 1427 CB PRO A 94 13.144 -0.571 8.404 1.00 0.00 C ATOM 1428 CG PRO A 94 13.402 0.739 9.065 1.00 0.00 C ATOM 1429 CD PRO A 94 12.776 1.781 8.180 1.00 0.00 C ATOM 0 HA PRO A 94 11.688 -0.959 6.790 1.00 0.00 H new ATOM 0 HB2 PRO A 94 13.123 -1.384 9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.924 -0.810 7.681 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.967 0.764 10.064 1.00 0.00 H new ATOM 0 HG3 PRO A 94 14.472 0.915 9.178 1.00 0.00 H new ATOM 0 HD2 PRO A 94 12.392 2.622 8.758 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.493 2.186 7.466 1.00 0.00 H new ATOM 1437 N ARG A 95 9.892 -0.006 9.185 1.00 0.00 N ATOM 1438 CA ARG A 95 8.790 -0.376 10.065 1.00 0.00 C ATOM 1439 C ARG A 95 7.462 -0.346 9.314 1.00 0.00 C ATOM 1440 O ARG A 95 6.488 -0.977 9.728 1.00 0.00 O ATOM 1441 CB ARG A 95 8.729 0.568 11.267 1.00 0.00 C ATOM 1442 CG ARG A 95 8.269 1.974 10.915 1.00 0.00 C ATOM 1443 CD ARG A 95 8.265 2.880 12.135 1.00 0.00 C ATOM 1444 NE ARG A 95 8.268 4.294 11.767 1.00 0.00 N ATOM 1445 CZ ARG A 95 8.700 5.261 12.568 1.00 0.00 C ATOM 1446 NH1 ARG A 95 9.162 4.969 13.776 1.00 0.00 N ATOM 1447 NH2 ARG A 95 8.671 6.524 12.162 1.00 0.00 N ATOM 0 H ARG A 95 10.006 0.999 9.052 1.00 0.00 H new ATOM 0 HA ARG A 95 8.966 -1.392 10.419 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.053 0.150 12.013 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.716 0.622 11.726 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.925 2.392 10.152 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.267 1.934 10.487 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.386 2.666 12.743 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.138 2.664 12.750 1.00 0.00 H new ATOM 0 HE ARG A 95 7.919 4.553 10.844 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.186 4.000 14.092 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.493 5.714 14.389 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.316 6.753 11.233 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.003 7.266 12.778 1.00 0.00 H new ATOM 1461 N PHE A 96 7.429 0.391 8.208 1.00 0.00 N ATOM 1462 CA PHE A 96 6.220 0.504 7.400 1.00 0.00 C ATOM 1463 C PHE A 96 6.131 -0.638 6.393 1.00 0.00 C ATOM 1464 O PHE A 96 5.080 -1.260 6.235 1.00 0.00 O ATOM 1465 CB PHE A 96 6.195 1.848 6.669 1.00 0.00 C ATOM 1466 CG PHE A 96 6.009 3.025 7.583 1.00 0.00 C ATOM 1467 CD1 PHE A 96 5.062 2.991 8.594 1.00 0.00 C ATOM 1468 CD2 PHE A 96 6.782 4.165 7.432 1.00 0.00 C ATOM 1469 CE1 PHE A 96 4.889 4.073 9.437 1.00 0.00 C ATOM 1470 CE2 PHE A 96 6.614 5.249 8.273 1.00 0.00 C ATOM 1471 CZ PHE A 96 5.665 5.203 9.276 1.00 0.00 C ATOM 0 H PHE A 96 8.226 0.919 7.851 1.00 0.00 H new ATOM 0 HA PHE A 96 5.359 0.445 8.066 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.128 1.970 6.118 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.390 1.838 5.934 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.452 2.109 8.725 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.524 4.207 6.648 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.147 4.034 10.221 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.224 6.131 8.146 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.531 6.050 9.933 1.00 0.00 H new ATOM 1481 N MET A 97 7.240 -0.908 5.713 1.00 0.00 N ATOM 1482 CA MET A 97 7.287 -1.976 4.720 1.00 0.00 C ATOM 1483 C MET A 97 7.011 -3.330 5.366 1.00 0.00 C ATOM 1484 O MET A 97 7.390 -3.570 6.513 1.00 0.00 O ATOM 1485 CB MET A 97 8.651 -1.997 4.027 1.00 0.00 C ATOM 1486 CG MET A 97 9.080 -0.641 3.488 1.00 0.00 C ATOM 1487 SD MET A 97 8.277 -0.229 1.927 1.00 0.00 S ATOM 1488 CE MET A 97 8.991 -1.464 0.843 1.00 0.00 C ATOM 0 H MET A 97 8.118 -0.403 5.831 1.00 0.00 H new ATOM 0 HA MET A 97 6.513 -1.783 3.977 1.00 0.00 H new ATOM 0 HB2 MET A 97 9.402 -2.353 4.732 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.621 -2.713 3.205 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.849 0.128 4.225 1.00 0.00 H new ATOM 0 HG3 MET A 97 10.161 -0.635 3.349 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.605 -1.328 -0.167 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.076 -1.357 0.834 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.727 -2.459 1.202 1.00 0.00 H new ATOM 1498 N ILE A 98 6.350 -4.211 4.622 1.00 0.00 N ATOM 1499 CA ILE A 98 6.024 -5.540 5.123 1.00 0.00 C ATOM 1500 C ILE A 98 6.884 -6.606 4.451 1.00 0.00 C ATOM 1501 O ILE A 98 7.342 -7.549 5.098 1.00 0.00 O ATOM 1502 CB ILE A 98 4.539 -5.878 4.898 1.00 0.00 C ATOM 1503 CG1 ILE A 98 3.649 -4.902 5.669 1.00 0.00 C ATOM 1504 CG2 ILE A 98 4.252 -7.311 5.320 1.00 0.00 C ATOM 1505 CD1 ILE A 98 2.186 -4.990 5.292 1.00 0.00 C ATOM 0 H ILE A 98 6.030 -4.028 3.671 1.00 0.00 H new ATOM 0 HA ILE A 98 6.228 -5.533 6.194 1.00 0.00 H new ATOM 0 HB ILE A 98 4.317 -5.781 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.753 -5.094 6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.001 -3.885 5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.198 -7.535 5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.865 -7.993 4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.487 -7.433 6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.615 -4.270 5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.070 -4.768 4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.818 -5.996 5.495 1.00 0.00 H new ATOM 1517 N HIS A 99 7.101 -6.449 3.149 1.00 0.00 N ATOM 1518 CA HIS A 99 7.908 -7.397 2.389 1.00 0.00 C ATOM 1519 C HIS A 99 8.890 -6.666 1.478 1.00 0.00 C ATOM 1520 O HIS A 99 8.666 -6.553 0.273 1.00 0.00 O ATOM 1521 CB HIS A 99 7.009 -8.314 1.559 1.00 0.00 C ATOM 1522 CG HIS A 99 7.737 -9.040 0.470 1.00 0.00 C ATOM 1523 ND1 HIS A 99 8.767 -9.925 0.713 1.00 0.00 N ATOM 1524 CD2 HIS A 99 7.578 -9.011 -0.874 1.00 0.00 C ATOM 1525 CE1 HIS A 99 9.211 -10.407 -0.434 1.00 0.00 C ATOM 1526 NE2 HIS A 99 8.506 -9.868 -1.413 1.00 0.00 N ATOM 0 H HIS A 99 6.730 -5.675 2.599 1.00 0.00 H new ATOM 0 HA HIS A 99 8.476 -8.002 3.096 1.00 0.00 H new ATOM 0 HB2 HIS A 99 6.539 -9.043 2.219 1.00 0.00 H new ATOM 0 HB3 HIS A 99 6.208 -7.721 1.117 1.00 0.00 H new ATOM 0 HD2 HIS A 99 6.856 -8.423 -1.421 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.014 -11.120 -0.552 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.631 -10.058 -2.407 1.00 0.00 H new ATOM 1534 N MET A 100 9.976 -6.172 2.062 1.00 0.00 N ATOM 1535 CA MET A 100 10.992 -5.452 1.301 1.00 0.00 C ATOM 1536 C MET A 100 11.922 -6.424 0.582 1.00 0.00 C ATOM 1537 O MET A 100 12.692 -7.145 1.217 1.00 0.00 O ATOM 1538 CB MET A 100 11.802 -4.542 2.226 1.00 0.00 C ATOM 1539 CG MET A 100 10.944 -3.725 3.179 1.00 0.00 C ATOM 1540 SD MET A 100 11.775 -3.382 4.741 1.00 0.00 S ATOM 1541 CE MET A 100 13.102 -2.312 4.192 1.00 0.00 C ATOM 0 H MET A 100 10.176 -6.256 3.059 1.00 0.00 H new ATOM 0 HA MET A 100 10.486 -4.841 0.554 1.00 0.00 H new ATOM 0 HB2 MET A 100 12.495 -5.151 2.806 1.00 0.00 H new ATOM 0 HB3 MET A 100 12.403 -3.864 1.620 1.00 0.00 H new ATOM 0 HG2 MET A 100 10.673 -2.783 2.701 1.00 0.00 H new ATOM 0 HG3 MET A 100 10.015 -4.261 3.376 1.00 0.00 H new ATOM 0 HE1 MET A 100 13.686 -1.985 5.053 1.00 0.00 H new ATOM 0 HE2 MET A 100 13.746 -2.856 3.502 1.00 0.00 H new ATOM 0 HE3 MET A 100 12.683 -1.442 3.687 1.00 0.00 H new ATOM 1551 N CYS A 101 11.845 -6.437 -0.744 1.00 0.00 N ATOM 1552 CA CYS A 101 12.680 -7.322 -1.549 1.00 0.00 C ATOM 1553 C CYS A 101 14.114 -7.337 -1.030 1.00 0.00 C ATOM 1554 O CYS A 101 14.546 -6.445 -0.300 1.00 0.00 O ATOM 1555 CB CYS A 101 12.660 -6.882 -3.014 1.00 0.00 C ATOM 1556 SG CYS A 101 11.336 -7.632 -3.991 1.00 0.00 S ATOM 0 H CYS A 101 11.214 -5.845 -1.284 1.00 0.00 H new ATOM 0 HA CYS A 101 12.275 -8.331 -1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 101 12.558 -5.798 -3.055 1.00 0.00 H new ATOM 0 HB3 CYS A 101 13.619 -7.130 -3.470 1.00 0.00 H new ATOM 0 HG CYS A 101 11.400 -7.197 -5.215 1.00 0.00 H new ATOM 1562 N PRO A 102 14.871 -8.376 -1.414 1.00 0.00 N ATOM 1563 CA PRO A 102 16.268 -8.533 -0.998 1.00 0.00 C ATOM 1564 C PRO A 102 17.185 -7.500 -1.643 1.00 0.00 C ATOM 1565 O PRO A 102 18.343 -7.353 -1.251 1.00 0.00 O ATOM 1566 CB PRO A 102 16.625 -9.941 -1.480 1.00 0.00 C ATOM 1567 CG PRO A 102 15.698 -10.198 -2.618 1.00 0.00 C ATOM 1568 CD PRO A 102 14.422 -9.476 -2.283 1.00 0.00 C ATOM 0 HA PRO A 102 16.392 -8.391 0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.666 -9.999 -1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 102 16.492 -10.677 -0.687 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.119 -9.832 -3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 102 15.521 -11.266 -2.744 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.924 -9.103 -3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.713 -10.128 -1.772 1.00 0.00 H new ATOM 1576 N SER A 103 16.660 -6.787 -2.634 1.00 0.00 N ATOM 1577 CA SER A 103 17.434 -5.769 -3.337 1.00 0.00 C ATOM 1578 C SER A 103 17.243 -4.400 -2.691 1.00 0.00 C ATOM 1579 O SER A 103 17.997 -3.464 -2.958 1.00 0.00 O ATOM 1580 CB SER A 103 17.023 -5.713 -4.809 1.00 0.00 C ATOM 1581 OG SER A 103 17.409 -6.893 -5.492 1.00 0.00 O ATOM 0 H SER A 103 15.703 -6.895 -2.969 1.00 0.00 H new ATOM 0 HA SER A 103 18.488 -6.038 -3.272 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.943 -5.583 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.482 -4.847 -5.285 1.00 0.00 H new ATOM 0 HG SER A 103 17.133 -6.833 -6.430 1.00 0.00 H new ATOM 1587 N THR A 104 16.229 -4.291 -1.838 1.00 0.00 N ATOM 1588 CA THR A 104 15.937 -3.038 -1.154 1.00 0.00 C ATOM 1589 C THR A 104 16.605 -2.989 0.215 1.00 0.00 C ATOM 1590 O THR A 104 17.196 -1.978 0.594 1.00 0.00 O ATOM 1591 CB THR A 104 14.420 -2.833 -0.980 1.00 0.00 C ATOM 1592 OG1 THR A 104 13.785 -2.764 -2.261 1.00 0.00 O ATOM 1593 CG2 THR A 104 14.132 -1.561 -0.196 1.00 0.00 C ATOM 0 H THR A 104 15.596 -5.056 -1.605 1.00 0.00 H new ATOM 0 HA THR A 104 16.335 -2.238 -1.778 1.00 0.00 H new ATOM 0 HB THR A 104 14.023 -3.682 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.821 -2.635 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 104 13.055 -1.438 -0.086 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.592 -1.629 0.790 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.543 -0.704 -0.730 1.00 0.00 H new ATOM 1601 N LYS A 105 16.509 -4.089 0.954 1.00 0.00 N ATOM 1602 CA LYS A 105 17.106 -4.174 2.281 1.00 0.00 C ATOM 1603 C LYS A 105 18.559 -3.711 2.255 1.00 0.00 C ATOM 1604 O LYS A 105 19.045 -3.109 3.212 1.00 0.00 O ATOM 1605 CB LYS A 105 17.026 -5.609 2.808 1.00 0.00 C ATOM 1606 CG LYS A 105 17.275 -5.723 4.302 1.00 0.00 C ATOM 1607 CD LYS A 105 17.788 -7.103 4.678 1.00 0.00 C ATOM 1608 CE LYS A 105 17.533 -7.412 6.146 1.00 0.00 C ATOM 1609 NZ LYS A 105 18.005 -8.774 6.516 1.00 0.00 N ATOM 0 H LYS A 105 16.023 -4.935 0.656 1.00 0.00 H new ATOM 0 HA LYS A 105 16.546 -3.517 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 105 16.041 -6.016 2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 105 17.755 -6.223 2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 105 17.999 -4.968 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 105 16.351 -5.518 4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 105 17.301 -7.855 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 105 18.857 -7.163 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 105 18.038 -6.672 6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 105 16.466 -7.328 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 17.813 -8.946 7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 17.505 -9.483 5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 19.028 -8.846 6.341 1.00 0.00 H new ATOM 1623 N GLU A 106 19.246 -3.996 1.153 1.00 0.00 N ATOM 1624 CA GLU A 106 20.644 -3.607 1.004 1.00 0.00 C ATOM 1625 C GLU A 106 20.810 -2.100 1.173 1.00 0.00 C ATOM 1626 O GLU A 106 21.608 -1.640 1.991 1.00 0.00 O ATOM 1627 CB GLU A 106 21.173 -4.039 -0.365 1.00 0.00 C ATOM 1628 CG GLU A 106 21.518 -5.517 -0.446 1.00 0.00 C ATOM 1629 CD GLU A 106 22.813 -5.853 0.268 1.00 0.00 C ATOM 1630 OE1 GLU A 106 23.892 -5.545 -0.282 1.00 0.00 O ATOM 1631 OE2 GLU A 106 22.748 -6.423 1.377 1.00 0.00 O ATOM 0 H GLU A 106 18.858 -4.494 0.352 1.00 0.00 H new ATOM 0 HA GLU A 106 21.219 -4.108 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 106 20.426 -3.807 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 106 22.061 -3.454 -0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 106 20.706 -6.100 -0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.597 -5.811 -1.493 1.00 0.00 H new ATOM 1638 N HIS A 107 20.052 -1.335 0.394 1.00 0.00 N ATOM 1639 CA HIS A 107 20.115 0.121 0.457 1.00 0.00 C ATOM 1640 C HIS A 107 19.932 0.611 1.890 1.00 0.00 C ATOM 1641 O HIS A 107 20.689 1.455 2.370 1.00 0.00 O ATOM 1642 CB HIS A 107 19.047 0.738 -0.446 1.00 0.00 C ATOM 1643 CG HIS A 107 18.903 2.219 -0.278 1.00 0.00 C ATOM 1644 ND1 HIS A 107 19.810 3.125 -0.787 1.00 0.00 N ATOM 1645 CD2 HIS A 107 17.951 2.952 0.345 1.00 0.00 C ATOM 1646 CE1 HIS A 107 19.422 4.351 -0.482 1.00 0.00 C ATOM 1647 NE2 HIS A 107 18.296 4.273 0.204 1.00 0.00 N ATOM 0 H HIS A 107 19.387 -1.699 -0.288 1.00 0.00 H new ATOM 0 HA HIS A 107 21.099 0.433 0.108 1.00 0.00 H new ATOM 0 HB2 HIS A 107 19.292 0.521 -1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 107 18.089 0.262 -0.239 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.081 2.569 0.858 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.938 5.262 -0.748 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.768 5.066 0.570 1.00 0.00 H new ATOM 1655 N PHE A 108 18.922 0.076 2.568 1.00 0.00 N ATOM 1656 CA PHE A 108 18.638 0.461 3.946 1.00 0.00 C ATOM 1657 C PHE A 108 19.791 0.075 4.867 1.00 0.00 C ATOM 1658 O PHE A 108 20.124 0.803 5.802 1.00 0.00 O ATOM 1659 CB PHE A 108 17.344 -0.200 4.426 1.00 0.00 C ATOM 1660 CG PHE A 108 16.114 0.616 4.148 1.00 0.00 C ATOM 1661 CD1 PHE A 108 15.706 1.601 5.032 1.00 0.00 C ATOM 1662 CD2 PHE A 108 15.367 0.399 3.002 1.00 0.00 C ATOM 1663 CE1 PHE A 108 14.575 2.355 4.779 1.00 0.00 C ATOM 1664 CE2 PHE A 108 14.236 1.149 2.743 1.00 0.00 C ATOM 1665 CZ PHE A 108 13.839 2.128 3.633 1.00 0.00 C ATOM 0 H PHE A 108 18.287 -0.625 2.186 1.00 0.00 H new ATOM 0 HA PHE A 108 18.518 1.544 3.977 1.00 0.00 H new ATOM 0 HB2 PHE A 108 17.242 -1.172 3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 108 17.415 -0.382 5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 108 16.278 1.782 5.930 1.00 0.00 H new ATOM 0 HD2 PHE A 108 15.672 -0.365 2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 108 14.268 3.120 5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 108 13.663 0.970 1.845 1.00 0.00 H new ATOM 0 HZ PHE A 108 12.955 2.715 3.433 1.00 0.00 H new ATOM 1675 N ALA A 109 20.398 -1.076 4.596 1.00 0.00 N ATOM 1676 CA ALA A 109 21.515 -1.559 5.398 1.00 0.00 C ATOM 1677 C ALA A 109 22.700 -0.603 5.321 1.00 0.00 C ATOM 1678 O ALA A 109 23.377 -0.357 6.320 1.00 0.00 O ATOM 1679 CB ALA A 109 21.927 -2.952 4.945 1.00 0.00 C ATOM 0 H ALA A 109 20.134 -1.691 3.827 1.00 0.00 H new ATOM 0 HA ALA A 109 21.189 -1.609 6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 109 22.762 -3.300 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 109 21.086 -3.635 5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 109 22.229 -2.920 3.898 1.00 0.00 H new ATOM 1685 N ARG A 110 22.945 -0.067 4.130 1.00 0.00 N ATOM 1686 CA ARG A 110 24.051 0.861 3.923 1.00 0.00 C ATOM 1687 C ARG A 110 23.898 2.094 4.809 1.00 0.00 C ATOM 1688 O ARG A 110 24.876 2.598 5.359 1.00 0.00 O ATOM 1689 CB ARG A 110 24.123 1.281 2.454 1.00 0.00 C ATOM 1690 CG ARG A 110 24.205 0.109 1.489 1.00 0.00 C ATOM 1691 CD ARG A 110 25.646 -0.302 1.232 1.00 0.00 C ATOM 1692 NE ARG A 110 25.738 -1.636 0.644 1.00 0.00 N ATOM 1693 CZ ARG A 110 26.849 -2.363 0.643 1.00 0.00 C ATOM 1694 NH1 ARG A 110 27.957 -1.889 1.196 1.00 0.00 N ATOM 1695 NH2 ARG A 110 26.854 -3.569 0.088 1.00 0.00 N ATOM 0 H ARG A 110 22.393 -0.259 3.294 1.00 0.00 H new ATOM 0 HA ARG A 110 24.976 0.352 4.194 1.00 0.00 H new ATOM 0 HB2 ARG A 110 23.244 1.879 2.212 1.00 0.00 H new ATOM 0 HB3 ARG A 110 24.994 1.921 2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 110 23.651 -0.737 1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 110 23.729 0.379 0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 110 26.116 0.421 0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 110 26.202 -0.280 2.169 1.00 0.00 H new ATOM 0 HE ARG A 110 24.903 -2.031 0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 110 27.958 -0.963 1.624 1.00 0.00 H new ATOM 0 HH12 ARG A 110 28.809 -2.450 1.193 1.00 0.00 H new ATOM 0 HH21 ARG A 110 26.004 -3.938 -0.338 1.00 0.00 H new ATOM 0 HH22 ARG A 110 27.708 -4.127 0.088 1.00 0.00 H new ATOM 1709 N GLU A 111 22.665 2.573 4.940 1.00 0.00 N ATOM 1710 CA GLU A 111 22.386 3.748 5.758 1.00 0.00 C ATOM 1711 C GLU A 111 22.766 3.499 7.215 1.00 0.00 C ATOM 1712 O GLU A 111 23.597 4.209 7.781 1.00 0.00 O ATOM 1713 CB GLU A 111 20.906 4.124 5.661 1.00 0.00 C ATOM 1714 CG GLU A 111 20.584 5.032 4.486 1.00 0.00 C ATOM 1715 CD GLU A 111 19.121 5.426 4.438 1.00 0.00 C ATOM 1716 OE1 GLU A 111 18.281 4.556 4.126 1.00 0.00 O ATOM 1717 OE2 GLU A 111 18.815 6.605 4.712 1.00 0.00 O ATOM 0 H GLU A 111 21.844 2.166 4.491 1.00 0.00 H new ATOM 0 HA GLU A 111 22.988 4.574 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 111 20.313 3.213 5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 111 20.604 4.618 6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 111 21.197 5.931 4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 111 20.851 4.527 3.558 1.00 0.00 H new ATOM 1724 N TYR A 112 22.150 2.487 7.815 1.00 0.00 N ATOM 1725 CA TYR A 112 22.420 2.145 9.207 1.00 0.00 C ATOM 1726 C TYR A 112 23.907 2.273 9.521 1.00 0.00 C ATOM 1727 O TYR A 112 24.298 2.964 10.462 1.00 0.00 O ATOM 1728 CB TYR A 112 21.944 0.723 9.506 1.00 0.00 C ATOM 1729 CG TYR A 112 20.510 0.650 9.978 1.00 0.00 C ATOM 1730 CD1 TYR A 112 19.456 0.776 9.081 1.00 0.00 C ATOM 1731 CD2 TYR A 112 20.207 0.458 11.320 1.00 0.00 C ATOM 1732 CE1 TYR A 112 18.143 0.711 9.507 1.00 0.00 C ATOM 1733 CE2 TYR A 112 18.898 0.390 11.755 1.00 0.00 C ATOM 1734 CZ TYR A 112 17.870 0.518 10.845 1.00 0.00 C ATOM 1735 OH TYR A 112 16.564 0.453 11.275 1.00 0.00 O ATOM 0 H TYR A 112 21.460 1.889 7.360 1.00 0.00 H new ATOM 0 HA TYR A 112 21.873 2.844 9.839 1.00 0.00 H new ATOM 0 HB2 TYR A 112 22.053 0.116 8.607 1.00 0.00 H new ATOM 0 HB3 TYR A 112 22.590 0.285 10.267 1.00 0.00 H new ATOM 0 HD1 TYR A 112 19.667 0.927 8.033 1.00 0.00 H new ATOM 0 HD2 TYR A 112 21.010 0.360 12.036 1.00 0.00 H new ATOM 0 HE1 TYR A 112 17.336 0.811 8.797 1.00 0.00 H new ATOM 0 HE2 TYR A 112 18.681 0.237 12.802 1.00 0.00 H new ATOM 0 HH TYR A 112 16.545 0.312 12.245 1.00 0.00 H new ATOM 1745 N ASP A 113 24.733 1.602 8.725 1.00 0.00 N ATOM 1746 CA ASP A 113 26.178 1.640 8.915 1.00 0.00 C ATOM 1747 C ASP A 113 26.673 3.079 9.028 1.00 0.00 C ATOM 1748 O ASP A 113 27.393 3.426 9.965 1.00 0.00 O ATOM 1749 CB ASP A 113 26.885 0.934 7.757 1.00 0.00 C ATOM 1750 CG ASP A 113 28.385 1.153 7.775 1.00 0.00 C ATOM 1751 OD1 ASP A 113 28.960 1.236 8.881 1.00 0.00 O ATOM 1752 OD2 ASP A 113 28.984 1.239 6.683 1.00 0.00 O ATOM 0 H ASP A 113 24.426 1.025 7.942 1.00 0.00 H new ATOM 0 HA ASP A 113 26.412 1.120 9.844 1.00 0.00 H new ATOM 0 HB2 ASP A 113 26.676 -0.135 7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 113 26.479 1.296 6.812 1.00 0.00 H new TER 1757 ASP A 113