USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 688 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 35 ASN :FLIP amide:sc= 0 X(o=-0.22,f=0) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0583 (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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -4.18! C(o=-4.2!,f=-3.9!) USER MOD Single : A 22 GLN : amide:sc= 0.409 K(o=0.41,f=-1.5!) USER MOD Single : A 32 GLN : amide:sc= -0.33 K(o=-0.33,f=-2.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.053 K(o=-0.053,f=-1.2!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 52 THR OG1 : rot -65:sc= 0.438 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.109 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -56:sc= 1.23 USER MOD Single : A 73 THR OG1 : rot -160:sc= -0.152 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -82:sc= 0.897 USER MOD Single : A 77 SER OG : rot -29:sc= 0.223 USER MOD Single : A 79 SER OG : rot 48:sc= 0.125 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 82 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 43:sc= 1.24 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0789 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.223 6.986 -12.058 1.00 0.00 N ATOM 2 CA GLY A 1 16.047 6.290 -11.569 1.00 0.00 C ATOM 3 C GLY A 1 16.183 5.871 -10.118 1.00 0.00 C ATOM 4 O GLY A 1 17.072 6.343 -9.410 1.00 0.00 O ATOM 0 H1 GLY A 1 16.930 7.798 -12.638 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.787 7.323 -11.252 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.796 6.337 -12.635 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.175 6.935 -11.677 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.869 5.408 -12.184 1.00 0.00 H new ATOM 8 N SER A 2 15.298 4.984 -9.674 1.00 0.00 N ATOM 9 CA SER A 2 15.320 4.506 -8.297 1.00 0.00 C ATOM 10 C SER A 2 16.564 3.663 -8.034 1.00 0.00 C ATOM 11 O SER A 2 16.576 2.458 -8.287 1.00 0.00 O ATOM 12 CB SER A 2 14.062 3.687 -7.999 1.00 0.00 C ATOM 13 OG SER A 2 12.936 4.529 -7.822 1.00 0.00 O ATOM 0 H SER A 2 14.557 4.582 -10.248 1.00 0.00 H new ATOM 0 HA SER A 2 15.345 5.374 -7.638 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.875 2.991 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.218 3.089 -7.101 1.00 0.00 H new ATOM 0 HG SER A 2 12.145 3.982 -7.635 1.00 0.00 H new ATOM 19 N SER A 3 17.610 4.306 -7.524 1.00 0.00 N ATOM 20 CA SER A 3 18.861 3.617 -7.230 1.00 0.00 C ATOM 21 C SER A 3 19.456 4.110 -5.915 1.00 0.00 C ATOM 22 O SER A 3 19.084 5.168 -5.410 1.00 0.00 O ATOM 23 CB SER A 3 19.863 3.827 -8.367 1.00 0.00 C ATOM 24 OG SER A 3 20.811 2.774 -8.412 1.00 0.00 O ATOM 0 H SER A 3 17.616 5.302 -7.306 1.00 0.00 H new ATOM 0 HA SER A 3 18.648 2.552 -7.136 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.333 3.884 -9.318 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.378 4.778 -8.232 1.00 0.00 H new ATOM 0 HG SER A 3 21.439 2.930 -9.148 1.00 0.00 H new ATOM 30 N GLY A 4 20.385 3.333 -5.364 1.00 0.00 N ATOM 31 CA GLY A 4 21.017 3.706 -4.112 1.00 0.00 C ATOM 32 C GLY A 4 20.012 3.951 -3.005 1.00 0.00 C ATOM 33 O GLY A 4 18.830 3.636 -3.149 1.00 0.00 O ATOM 0 H GLY A 4 20.711 2.452 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.704 2.917 -3.806 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.613 4.606 -4.263 1.00 0.00 H new ATOM 37 N SER A 5 20.481 4.512 -1.895 1.00 0.00 N ATOM 38 CA SER A 5 19.615 4.793 -0.756 1.00 0.00 C ATOM 39 C SER A 5 19.417 6.296 -0.581 1.00 0.00 C ATOM 40 O SER A 5 19.445 6.811 0.536 1.00 0.00 O ATOM 41 CB SER A 5 20.206 4.193 0.521 1.00 0.00 C ATOM 42 OG SER A 5 21.523 4.667 0.745 1.00 0.00 O ATOM 0 H SER A 5 21.456 4.781 -1.760 1.00 0.00 H new ATOM 0 HA SER A 5 18.644 4.336 -0.948 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.575 4.448 1.372 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.215 3.106 0.445 1.00 0.00 H new ATOM 0 HG SER A 5 21.878 4.270 1.568 1.00 0.00 H new ATOM 48 N SER A 6 19.219 6.994 -1.695 1.00 0.00 N ATOM 49 CA SER A 6 19.021 8.438 -1.668 1.00 0.00 C ATOM 50 C SER A 6 17.863 8.845 -2.575 1.00 0.00 C ATOM 51 O SER A 6 17.632 8.234 -3.617 1.00 0.00 O ATOM 52 CB SER A 6 20.300 9.158 -2.099 1.00 0.00 C ATOM 53 OG SER A 6 20.708 8.742 -3.391 1.00 0.00 O ATOM 0 H SER A 6 19.192 6.582 -2.628 1.00 0.00 H new ATOM 0 HA SER A 6 18.777 8.727 -0.646 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.133 10.235 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.095 8.956 -1.381 1.00 0.00 H new ATOM 0 HG SER A 6 21.526 9.218 -3.645 1.00 0.00 H new ATOM 59 N GLY A 7 17.139 9.884 -2.169 1.00 0.00 N ATOM 60 CA GLY A 7 16.014 10.356 -2.955 1.00 0.00 C ATOM 61 C GLY A 7 14.707 10.298 -2.190 1.00 0.00 C ATOM 62 O GLY A 7 14.032 11.314 -2.022 1.00 0.00 O ATOM 0 H GLY A 7 17.311 10.407 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.201 11.382 -3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.929 9.754 -3.860 1.00 0.00 H new ATOM 66 N VAL A 8 14.347 9.105 -1.726 1.00 0.00 N ATOM 67 CA VAL A 8 13.111 8.919 -0.975 1.00 0.00 C ATOM 68 C VAL A 8 13.298 7.905 0.148 1.00 0.00 C ATOM 69 O VAL A 8 14.282 7.167 0.173 1.00 0.00 O ATOM 70 CB VAL A 8 11.964 8.450 -1.889 1.00 0.00 C ATOM 71 CG1 VAL A 8 11.604 9.534 -2.893 1.00 0.00 C ATOM 72 CG2 VAL A 8 12.343 7.159 -2.599 1.00 0.00 C ATOM 0 H VAL A 8 14.893 8.254 -1.857 1.00 0.00 H new ATOM 0 HA VAL A 8 12.852 9.887 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 8 11.087 8.255 -1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.792 9.184 -3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.288 10.432 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.474 9.764 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.521 6.842 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.233 7.325 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.547 6.384 -1.860 1.00 0.00 H new ATOM 82 N GLU A 9 12.347 7.875 1.076 1.00 0.00 N ATOM 83 CA GLU A 9 12.408 6.951 2.202 1.00 0.00 C ATOM 84 C GLU A 9 11.510 5.740 1.962 1.00 0.00 C ATOM 85 O GLU A 9 10.306 5.879 1.747 1.00 0.00 O ATOM 86 CB GLU A 9 11.994 7.658 3.494 1.00 0.00 C ATOM 87 CG GLU A 9 10.579 8.210 3.459 1.00 0.00 C ATOM 88 CD GLU A 9 10.383 9.375 4.411 1.00 0.00 C ATOM 89 OE1 GLU A 9 11.171 10.341 4.337 1.00 0.00 O ATOM 90 OE2 GLU A 9 9.442 9.320 5.229 1.00 0.00 O ATOM 0 H GLU A 9 11.526 8.480 1.070 1.00 0.00 H new ATOM 0 HA GLU A 9 13.437 6.605 2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.082 6.958 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.689 8.475 3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.343 8.531 2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.877 7.416 3.713 1.00 0.00 H new ATOM 97 N VAL A 10 12.105 4.552 2.001 1.00 0.00 N ATOM 98 CA VAL A 10 11.361 3.317 1.788 1.00 0.00 C ATOM 99 C VAL A 10 11.251 2.513 3.079 1.00 0.00 C ATOM 100 O VAL A 10 12.133 1.720 3.404 1.00 0.00 O ATOM 101 CB VAL A 10 12.021 2.443 0.706 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.275 1.126 0.554 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.080 3.188 -0.618 1.00 0.00 C ATOM 0 H VAL A 10 13.101 4.419 2.178 1.00 0.00 H new ATOM 0 HA VAL A 10 10.363 3.602 1.454 1.00 0.00 H new ATOM 0 HB VAL A 10 13.042 2.220 1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.756 0.522 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.291 0.587 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.242 1.324 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.550 2.555 -1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.070 3.443 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.663 4.101 -0.496 1.00 0.00 H new ATOM 113 N GLU A 11 10.160 2.723 3.810 1.00 0.00 N ATOM 114 CA GLU A 11 9.936 2.017 5.066 1.00 0.00 C ATOM 115 C GLU A 11 9.834 0.512 4.833 1.00 0.00 C ATOM 116 O GLU A 11 8.914 0.037 4.168 1.00 0.00 O ATOM 117 CB GLU A 11 8.661 2.527 5.742 1.00 0.00 C ATOM 118 CG GLU A 11 8.698 2.435 7.258 1.00 0.00 C ATOM 119 CD GLU A 11 7.810 3.465 7.927 1.00 0.00 C ATOM 120 OE1 GLU A 11 6.623 3.160 8.167 1.00 0.00 O ATOM 121 OE2 GLU A 11 8.302 4.577 8.212 1.00 0.00 O ATOM 0 H GLU A 11 9.419 3.375 3.554 1.00 0.00 H new ATOM 0 HA GLU A 11 10.787 2.209 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.497 3.565 5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.810 1.955 5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.385 1.437 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.724 2.568 7.601 1.00 0.00 H new ATOM 128 N SER A 12 10.787 -0.232 5.386 1.00 0.00 N ATOM 129 CA SER A 12 10.808 -1.682 5.235 1.00 0.00 C ATOM 130 C SER A 12 9.894 -2.348 6.260 1.00 0.00 C ATOM 131 O SER A 12 9.728 -1.852 7.375 1.00 0.00 O ATOM 132 CB SER A 12 12.236 -2.211 5.389 1.00 0.00 C ATOM 133 OG SER A 12 12.236 -3.561 5.817 1.00 0.00 O ATOM 0 H SER A 12 11.554 0.145 5.942 1.00 0.00 H new ATOM 0 HA SER A 12 10.444 -1.924 4.237 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.763 -2.128 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.779 -1.598 6.109 1.00 0.00 H new ATOM 0 HG SER A 12 13.160 -3.876 5.906 1.00 0.00 H new ATOM 139 N PHE A 13 9.304 -3.473 5.873 1.00 0.00 N ATOM 140 CA PHE A 13 8.406 -4.208 6.757 1.00 0.00 C ATOM 141 C PHE A 13 8.590 -5.714 6.590 1.00 0.00 C ATOM 142 O PHE A 13 9.228 -6.171 5.641 1.00 0.00 O ATOM 143 CB PHE A 13 6.952 -3.826 6.472 1.00 0.00 C ATOM 144 CG PHE A 13 6.532 -2.538 7.121 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.836 -1.320 6.533 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.834 -2.544 8.317 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.452 -0.133 7.128 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.447 -1.361 8.917 1.00 0.00 C ATOM 149 CZ PHE A 13 5.756 -0.154 8.321 1.00 0.00 C ATOM 0 H PHE A 13 9.431 -3.896 4.954 1.00 0.00 H new ATOM 0 HA PHE A 13 8.650 -3.942 7.785 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.811 -3.743 5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.300 -4.628 6.818 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.379 -1.298 5.600 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.589 -3.485 8.787 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.696 0.810 6.661 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.904 -1.380 9.850 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.454 0.772 8.787 1.00 0.00 H new ATOM 159 N LEU A 14 8.027 -6.479 7.519 1.00 0.00 N ATOM 160 CA LEU A 14 8.129 -7.933 7.476 1.00 0.00 C ATOM 161 C LEU A 14 6.966 -8.582 8.220 1.00 0.00 C ATOM 162 O LEU A 14 6.712 -8.276 9.385 1.00 0.00 O ATOM 163 CB LEU A 14 9.456 -8.389 8.084 1.00 0.00 C ATOM 164 CG LEU A 14 9.790 -9.874 7.930 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.726 -10.732 8.596 1.00 0.00 C ATOM 166 CD2 LEU A 14 9.929 -10.239 6.460 1.00 0.00 C ATOM 0 H LEU A 14 7.496 -6.117 8.311 1.00 0.00 H new ATOM 0 HA LEU A 14 8.089 -8.245 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.259 -7.808 7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.448 -8.147 9.147 1.00 0.00 H new ATOM 0 HG LEU A 14 10.743 -10.066 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.980 -11.785 8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.675 -10.489 9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.759 -10.537 8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.167 -11.299 6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.992 -10.032 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.728 -9.648 6.012 1.00 0.00 H new ATOM 178 N VAL A 15 6.263 -9.482 7.539 1.00 0.00 N ATOM 179 CA VAL A 15 5.129 -10.178 8.137 1.00 0.00 C ATOM 180 C VAL A 15 4.998 -11.592 7.582 1.00 0.00 C ATOM 181 O VAL A 15 5.841 -12.048 6.809 1.00 0.00 O ATOM 182 CB VAL A 15 3.812 -9.417 7.891 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.846 -8.057 8.570 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.552 -9.272 6.399 1.00 0.00 C ATOM 0 H VAL A 15 6.459 -9.746 6.573 1.00 0.00 H new ATOM 0 HA VAL A 15 5.317 -10.228 9.210 1.00 0.00 H new ATOM 0 HB VAL A 15 2.994 -9.992 8.325 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.907 -7.534 8.385 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.982 -8.190 9.643 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.673 -7.471 8.169 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.618 -8.732 6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.371 -8.720 5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.480 -10.260 5.944 1.00 0.00 H new ATOM 194 N HIS A 16 3.934 -12.282 7.982 1.00 0.00 N ATOM 195 CA HIS A 16 3.691 -13.645 7.524 1.00 0.00 C ATOM 196 C HIS A 16 2.248 -13.813 7.058 1.00 0.00 C ATOM 197 O HIS A 16 1.402 -12.940 7.253 1.00 0.00 O ATOM 198 CB HIS A 16 3.998 -14.643 8.642 1.00 0.00 C ATOM 199 CG HIS A 16 2.780 -15.322 9.189 1.00 0.00 C ATOM 200 ND1 HIS A 16 2.675 -16.691 9.317 1.00 0.00 N ATOM 201 CD2 HIS A 16 1.611 -14.813 9.643 1.00 0.00 C ATOM 202 CE1 HIS A 16 1.494 -16.994 9.826 1.00 0.00 C ATOM 203 NE2 HIS A 16 0.829 -15.872 10.033 1.00 0.00 N ATOM 0 H HIS A 16 3.227 -11.920 8.622 1.00 0.00 H new ATOM 0 HA HIS A 16 4.352 -13.842 6.680 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.687 -15.399 8.264 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.509 -14.123 9.452 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.343 -13.768 9.690 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.134 -17.990 10.037 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.112 -15.803 10.420 1.00 0.00 H new ATOM 212 N PRO A 17 1.959 -14.960 6.427 1.00 0.00 N ATOM 213 CA PRO A 17 0.619 -15.269 5.920 1.00 0.00 C ATOM 214 C PRO A 17 -0.382 -15.520 7.042 1.00 0.00 C ATOM 215 O PRO A 17 -0.525 -16.645 7.520 1.00 0.00 O ATOM 216 CB PRO A 17 0.834 -16.544 5.101 1.00 0.00 C ATOM 217 CG PRO A 17 2.044 -17.178 5.697 1.00 0.00 C ATOM 218 CD PRO A 17 2.918 -16.046 6.161 1.00 0.00 C ATOM 0 HA PRO A 17 0.201 -14.442 5.346 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.031 -17.205 5.163 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.986 -16.316 4.046 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.774 -17.829 6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.562 -17.796 4.964 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.480 -16.313 7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.645 -15.762 5.400 1.00 0.00 H new ATOM 226 N GLY A 18 -1.075 -14.464 7.459 1.00 0.00 N ATOM 227 CA GLY A 18 -2.054 -14.592 8.522 1.00 0.00 C ATOM 228 C GLY A 18 -1.982 -13.450 9.517 1.00 0.00 C ATOM 229 O GLY A 18 -2.851 -13.312 10.378 1.00 0.00 O ATOM 0 H GLY A 18 -0.975 -13.523 7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.053 -14.630 8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.897 -15.536 9.045 1.00 0.00 H new ATOM 233 N ASP A 19 -0.943 -12.630 9.400 1.00 0.00 N ATOM 234 CA ASP A 19 -0.761 -11.495 10.296 1.00 0.00 C ATOM 235 C ASP A 19 -1.545 -10.282 9.804 1.00 0.00 C ATOM 236 O ASP A 19 -2.297 -10.368 8.832 1.00 0.00 O ATOM 237 CB ASP A 19 0.723 -11.144 10.414 1.00 0.00 C ATOM 238 CG ASP A 19 1.422 -11.940 11.500 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.796 -12.871 12.049 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.594 -11.633 11.799 1.00 0.00 O ATOM 0 H ASP A 19 -0.214 -12.731 8.693 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.140 -11.776 11.279 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.214 -11.329 9.459 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.826 -10.079 10.624 1.00 0.00 H new ATOM 245 N LEU A 20 -1.365 -9.154 10.481 1.00 0.00 N ATOM 246 CA LEU A 20 -2.057 -7.923 10.114 1.00 0.00 C ATOM 247 C LEU A 20 -1.082 -6.903 9.533 1.00 0.00 C ATOM 248 O LEU A 20 -0.267 -6.327 10.254 1.00 0.00 O ATOM 249 CB LEU A 20 -2.766 -7.330 11.333 1.00 0.00 C ATOM 250 CG LEU A 20 -3.685 -6.138 11.061 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.821 -6.541 10.134 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.232 -5.577 12.365 1.00 0.00 C ATOM 0 H LEU A 20 -0.746 -9.066 11.287 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.798 -8.165 9.352 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.355 -8.117 11.804 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.009 -7.022 12.055 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.102 -5.359 10.570 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.465 -5.680 9.952 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.411 -6.894 9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.403 -7.338 10.597 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.884 -4.730 12.152 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.800 -6.350 12.884 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.405 -5.249 12.995 1.00 0.00 H new ATOM 264 N LEU A 21 -1.174 -6.684 8.226 1.00 0.00 N ATOM 265 CA LEU A 21 -0.301 -5.731 7.547 1.00 0.00 C ATOM 266 C LEU A 21 -0.811 -4.305 7.725 1.00 0.00 C ATOM 267 O LEU A 21 -1.753 -3.885 7.053 1.00 0.00 O ATOM 268 CB LEU A 21 -0.205 -6.069 6.059 1.00 0.00 C ATOM 269 CG LEU A 21 0.698 -5.162 5.222 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.131 -5.224 5.725 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.629 -5.551 3.752 1.00 0.00 C ATOM 0 H LEU A 21 -1.843 -7.152 7.615 1.00 0.00 H new ATOM 0 HA LEU A 21 0.691 -5.801 7.993 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.153 -7.094 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.209 -6.040 5.635 1.00 0.00 H new ATOM 0 HG LEU A 21 0.344 -4.136 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.759 -4.572 5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.166 -4.896 6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.497 -6.248 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.278 -4.895 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.957 -6.584 3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.397 -5.453 3.397 1.00 0.00 H new ATOM 283 N GLN A 22 -0.179 -3.565 8.630 1.00 0.00 N ATOM 284 CA GLN A 22 -0.568 -2.184 8.894 1.00 0.00 C ATOM 285 C GLN A 22 0.484 -1.213 8.370 1.00 0.00 C ATOM 286 O GLN A 22 1.682 -1.406 8.580 1.00 0.00 O ATOM 287 CB GLN A 22 -0.777 -1.968 10.394 1.00 0.00 C ATOM 288 CG GLN A 22 -2.175 -2.327 10.872 1.00 0.00 C ATOM 289 CD GLN A 22 -2.272 -2.408 12.382 1.00 0.00 C ATOM 290 OE1 GLN A 22 -1.258 -2.464 13.079 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.496 -2.414 12.898 1.00 0.00 N ATOM 0 H GLN A 22 0.604 -3.898 9.193 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.506 -1.991 8.373 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.050 -2.566 10.943 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.577 -0.924 10.633 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.882 -1.583 10.506 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.468 -3.284 10.441 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.309 -2.366 12.284 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.623 -2.466 13.909 1.00 0.00 H new ATOM 300 N LEU A 23 0.029 -0.169 7.686 1.00 0.00 N ATOM 301 CA LEU A 23 0.932 0.834 7.131 1.00 0.00 C ATOM 302 C LEU A 23 0.513 2.238 7.556 1.00 0.00 C ATOM 303 O LEU A 23 -0.548 2.427 8.151 1.00 0.00 O ATOM 304 CB LEU A 23 0.957 0.737 5.604 1.00 0.00 C ATOM 305 CG LEU A 23 1.473 -0.580 5.024 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.359 -0.576 3.507 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.912 -0.824 5.452 1.00 0.00 C ATOM 0 H LEU A 23 -0.959 0.005 7.502 1.00 0.00 H new ATOM 0 HA LEU A 23 1.933 0.641 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.054 0.903 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.575 1.548 5.218 1.00 0.00 H new ATOM 0 HG LEU A 23 0.858 -1.392 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.731 -1.521 3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.315 -0.449 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.949 0.245 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.262 -1.766 5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.541 -0.009 5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.965 -0.872 6.540 1.00 0.00 H new ATOM 319 N ARG A 24 1.353 3.220 7.244 1.00 0.00 N ATOM 320 CA ARG A 24 1.070 4.607 7.593 1.00 0.00 C ATOM 321 C ARG A 24 1.696 5.561 6.579 1.00 0.00 C ATOM 322 O ARG A 24 2.816 5.343 6.115 1.00 0.00 O ATOM 323 CB ARG A 24 1.595 4.920 8.995 1.00 0.00 C ATOM 324 CG ARG A 24 0.789 5.983 9.723 1.00 0.00 C ATOM 325 CD ARG A 24 1.089 5.986 11.214 1.00 0.00 C ATOM 326 NE ARG A 24 0.092 6.737 11.972 1.00 0.00 N ATOM 327 CZ ARG A 24 -0.018 6.687 13.295 1.00 0.00 C ATOM 328 NH1 ARG A 24 0.805 5.926 14.003 1.00 0.00 N ATOM 329 NH2 ARG A 24 -0.951 7.401 13.912 1.00 0.00 N ATOM 0 H ARG A 24 2.235 3.081 6.750 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.011 4.746 7.578 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.593 4.005 9.587 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.631 5.249 8.921 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.015 6.963 9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.275 5.806 9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.124 4.959 11.579 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.075 6.418 11.384 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.556 7.333 11.457 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.524 5.377 13.532 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.719 5.889 15.019 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.585 7.989 13.370 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.035 7.362 14.928 1.00 0.00 H new ATOM 343 N CYS A 25 0.966 6.618 6.241 1.00 0.00 N ATOM 344 CA CYS A 25 1.448 7.606 5.282 1.00 0.00 C ATOM 345 C CYS A 25 1.687 8.951 5.961 1.00 0.00 C ATOM 346 O CYS A 25 0.772 9.538 6.539 1.00 0.00 O ATOM 347 CB CYS A 25 0.445 7.769 4.139 1.00 0.00 C ATOM 348 SG CYS A 25 0.970 8.945 2.851 1.00 0.00 S ATOM 0 H CYS A 25 0.038 6.813 6.617 1.00 0.00 H new ATOM 0 HA CYS A 25 2.395 7.251 4.876 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.273 6.796 3.679 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.508 8.100 4.551 1.00 0.00 H new ATOM 353 N ARG A 26 2.923 9.434 5.886 1.00 0.00 N ATOM 354 CA ARG A 26 3.282 10.710 6.494 1.00 0.00 C ATOM 355 C ARG A 26 2.560 11.863 5.804 1.00 0.00 C ATOM 356 O ARG A 26 2.786 12.134 4.623 1.00 0.00 O ATOM 357 CB ARG A 26 4.795 10.925 6.422 1.00 0.00 C ATOM 358 CG ARG A 26 5.263 11.523 5.105 1.00 0.00 C ATOM 359 CD ARG A 26 6.739 11.248 4.861 1.00 0.00 C ATOM 360 NE ARG A 26 7.244 11.967 3.694 1.00 0.00 N ATOM 361 CZ ARG A 26 7.755 13.191 3.750 1.00 0.00 C ATOM 362 NH1 ARG A 26 7.828 13.831 4.910 1.00 0.00 N ATOM 363 NH2 ARG A 26 8.194 13.779 2.645 1.00 0.00 N ATOM 0 H ARG A 26 3.692 8.962 5.411 1.00 0.00 H new ATOM 0 HA ARG A 26 2.975 10.686 7.539 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.100 11.581 7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.297 9.970 6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.674 11.109 4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.088 12.599 5.110 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.312 11.538 5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.890 10.178 4.721 1.00 0.00 H new ATOM 0 HE ARG A 26 7.202 11.503 2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.491 13.383 5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.221 14.771 4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.139 13.291 1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.586 14.719 2.689 1.00 0.00 H new ATOM 377 N LEU A 27 1.692 12.540 6.547 1.00 0.00 N ATOM 378 CA LEU A 27 0.935 13.665 6.007 1.00 0.00 C ATOM 379 C LEU A 27 1.379 14.976 6.647 1.00 0.00 C ATOM 380 O LEU A 27 2.325 15.005 7.435 1.00 0.00 O ATOM 381 CB LEU A 27 -0.562 13.454 6.236 1.00 0.00 C ATOM 382 CG LEU A 27 -1.141 12.135 5.721 1.00 0.00 C ATOM 383 CD1 LEU A 27 -2.635 12.064 5.998 1.00 0.00 C ATOM 384 CD2 LEU A 27 -0.864 11.976 4.234 1.00 0.00 C ATOM 0 H LEU A 27 1.494 12.330 7.525 1.00 0.00 H new ATOM 0 HA LEU A 27 1.128 13.721 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.758 13.521 7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.101 14.274 5.761 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.655 11.315 6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.030 11.119 5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.810 12.131 7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.138 12.891 5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.283 11.032 3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.323 12.801 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.212 11.981 4.062 1.00 0.00 H new ATOM 396 N ARG A 28 0.690 16.059 6.303 1.00 0.00 N ATOM 397 CA ARG A 28 1.013 17.374 6.844 1.00 0.00 C ATOM 398 C ARG A 28 -0.238 18.242 6.947 1.00 0.00 C ATOM 399 O ARG A 28 -1.339 17.803 6.614 1.00 0.00 O ATOM 400 CB ARG A 28 2.057 18.068 5.967 1.00 0.00 C ATOM 401 CG ARG A 28 1.703 18.074 4.489 1.00 0.00 C ATOM 402 CD ARG A 28 2.947 18.172 3.620 1.00 0.00 C ATOM 403 NE ARG A 28 3.560 19.496 3.689 1.00 0.00 N ATOM 404 CZ ARG A 28 4.806 19.749 3.305 1.00 0.00 C ATOM 405 NH1 ARG A 28 5.568 18.775 2.827 1.00 0.00 N ATOM 406 NH2 ARG A 28 5.293 20.980 3.399 1.00 0.00 N ATOM 0 H ARG A 28 -0.095 16.052 5.652 1.00 0.00 H new ATOM 0 HA ARG A 28 1.423 17.236 7.845 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.179 19.096 6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.018 17.572 6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.155 17.165 4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.041 18.913 4.275 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.670 17.421 3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.686 17.947 2.586 1.00 0.00 H new ATOM 0 HE ARG A 28 3.001 20.268 4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.198 17.827 2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.524 18.973 2.533 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.710 21.732 3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.250 21.174 3.104 1.00 0.00 H new ATOM 420 N ASP A 29 -0.061 19.474 7.411 1.00 0.00 N ATOM 421 CA ASP A 29 -1.175 20.403 7.558 1.00 0.00 C ATOM 422 C ASP A 29 -1.529 21.043 6.219 1.00 0.00 C ATOM 423 O ASP A 29 -2.327 21.978 6.158 1.00 0.00 O ATOM 424 CB ASP A 29 -0.831 21.488 8.580 1.00 0.00 C ATOM 425 CG ASP A 29 0.182 21.017 9.605 1.00 0.00 C ATOM 426 OD1 ASP A 29 1.372 20.890 9.249 1.00 0.00 O ATOM 427 OD2 ASP A 29 -0.216 20.775 10.764 1.00 0.00 O ATOM 0 H ASP A 29 0.844 19.853 7.692 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.039 19.842 7.912 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.438 22.362 8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.741 21.804 9.091 1.00 0.00 H new ATOM 432 N ASP A 30 -0.928 20.534 5.149 1.00 0.00 N ATOM 433 CA ASP A 30 -1.180 21.055 3.810 1.00 0.00 C ATOM 434 C ASP A 30 -1.809 19.987 2.921 1.00 0.00 C ATOM 435 O ASP A 30 -2.635 20.290 2.060 1.00 0.00 O ATOM 436 CB ASP A 30 0.122 21.558 3.183 1.00 0.00 C ATOM 437 CG ASP A 30 0.884 22.492 4.102 1.00 0.00 C ATOM 438 OD1 ASP A 30 1.488 22.001 5.079 1.00 0.00 O ATOM 439 OD2 ASP A 30 0.879 23.713 3.843 1.00 0.00 O ATOM 0 H ASP A 30 -0.263 19.761 5.183 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.878 21.887 3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.753 20.706 2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.103 22.075 2.250 1.00 0.00 H new ATOM 444 N VAL A 31 -1.411 18.737 3.134 1.00 0.00 N ATOM 445 CA VAL A 31 -1.935 17.624 2.351 1.00 0.00 C ATOM 446 C VAL A 31 -3.427 17.794 2.085 1.00 0.00 C ATOM 447 O VAL A 31 -4.193 18.132 2.987 1.00 0.00 O ATOM 448 CB VAL A 31 -1.702 16.278 3.063 1.00 0.00 C ATOM 449 CG1 VAL A 31 -2.669 15.225 2.544 1.00 0.00 C ATOM 450 CG2 VAL A 31 -0.261 15.825 2.886 1.00 0.00 C ATOM 0 H VAL A 31 -0.727 18.469 3.842 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.397 17.623 1.403 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.888 16.413 4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.489 14.281 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.693 15.549 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.518 15.089 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.114 14.873 3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.045 15.706 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.410 16.571 3.311 1.00 0.00 H new ATOM 460 N GLN A 32 -3.831 17.557 0.842 1.00 0.00 N ATOM 461 CA GLN A 32 -5.232 17.684 0.457 1.00 0.00 C ATOM 462 C GLN A 32 -5.873 16.312 0.275 1.00 0.00 C ATOM 463 O GLN A 32 -7.008 16.086 0.695 1.00 0.00 O ATOM 464 CB GLN A 32 -5.357 18.494 -0.834 1.00 0.00 C ATOM 465 CG GLN A 32 -4.862 19.926 -0.705 1.00 0.00 C ATOM 466 CD GLN A 32 -5.581 20.879 -1.639 1.00 0.00 C ATOM 467 OE1 GLN A 32 -6.602 20.532 -2.233 1.00 0.00 O ATOM 468 NE2 GLN A 32 -5.051 22.089 -1.774 1.00 0.00 N ATOM 0 H GLN A 32 -3.209 17.276 0.084 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.756 18.207 1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.795 17.994 -1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.401 18.506 -1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.996 20.261 0.323 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.793 19.957 -0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.203 22.334 -1.262 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.492 22.773 -2.389 1.00 0.00 H new ATOM 477 N SER A 33 -5.139 15.400 -0.355 1.00 0.00 N ATOM 478 CA SER A 33 -5.638 14.052 -0.597 1.00 0.00 C ATOM 479 C SER A 33 -4.505 13.033 -0.526 1.00 0.00 C ATOM 480 O SER A 33 -3.344 13.392 -0.326 1.00 0.00 O ATOM 481 CB SER A 33 -6.323 13.976 -1.963 1.00 0.00 C ATOM 482 OG SER A 33 -7.363 13.013 -1.959 1.00 0.00 O ATOM 0 H SER A 33 -4.197 15.571 -0.707 1.00 0.00 H new ATOM 0 HA SER A 33 -6.366 13.816 0.179 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.729 14.953 -2.225 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.589 13.720 -2.728 1.00 0.00 H new ATOM 0 HG SER A 33 -7.786 12.985 -2.843 1.00 0.00 H new ATOM 488 N ILE A 34 -4.850 11.760 -0.691 1.00 0.00 N ATOM 489 CA ILE A 34 -3.863 10.689 -0.647 1.00 0.00 C ATOM 490 C ILE A 34 -4.123 9.657 -1.739 1.00 0.00 C ATOM 491 O ILE A 34 -5.271 9.338 -2.045 1.00 0.00 O ATOM 492 CB ILE A 34 -3.860 9.982 0.721 1.00 0.00 C ATOM 493 CG1 ILE A 34 -4.010 11.006 1.849 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.582 9.176 0.898 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.475 10.402 3.155 1.00 0.00 C ATOM 0 H ILE A 34 -5.806 11.446 -0.856 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.889 11.151 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.707 9.297 0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.053 11.502 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.719 11.774 1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.595 8.682 1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.513 8.426 0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.721 9.842 0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.559 11.185 3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.447 9.930 3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.754 9.655 3.487 1.00 0.00 H new ATOM 507 N ASN A 35 -3.048 9.136 -2.322 1.00 0.00 N ATOM 508 CA ASN A 35 -3.159 8.138 -3.379 1.00 0.00 C ATOM 509 C ASN A 35 -2.290 6.922 -3.073 1.00 0.00 C ATOM 510 O ASN A 35 -1.072 6.959 -3.245 1.00 0.00 O ATOM 511 CB ASN A 35 -2.754 8.743 -4.725 1.00 0.00 C ATOM 512 CG ASN A 35 -3.485 8.103 -5.890 1.00 0.00 C ATOM 513 OD1 ASN A 35 -2.842 7.133 -6.530 1.00 0.00 O flip ATOM 514 ND2 ASN A 35 -4.613 8.477 -6.210 1.00 0.00 N flip ATOM 0 H ASN A 35 -2.090 9.389 -2.080 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.199 7.815 -3.432 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.958 9.814 -4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.679 8.625 -4.865 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.069 9.226 -5.689 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.092 8.038 -6.996 1.00 0.00 H new ATOM 521 N TRP A 36 -2.925 5.847 -2.621 1.00 0.00 N ATOM 522 CA TRP A 36 -2.210 4.619 -2.292 1.00 0.00 C ATOM 523 C TRP A 36 -1.846 3.846 -3.554 1.00 0.00 C ATOM 524 O TRP A 36 -2.667 3.697 -4.461 1.00 0.00 O ATOM 525 CB TRP A 36 -3.057 3.743 -1.368 1.00 0.00 C ATOM 526 CG TRP A 36 -2.975 4.145 0.073 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.923 4.816 0.792 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.886 3.903 0.970 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.488 5.006 2.081 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.241 4.454 2.216 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.645 3.273 0.841 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.400 4.394 3.324 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.189 3.214 1.942 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.191 3.771 3.170 1.00 0.00 C ATOM 0 H TRP A 36 -3.933 5.800 -2.474 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.288 4.892 -1.778 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.097 3.787 -1.691 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.736 2.706 -1.467 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.875 5.148 0.404 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.009 5.481 2.818 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.343 2.840 -0.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.691 4.824 4.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.150 2.730 1.854 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.483 3.708 4.011 1.00 0.00 H new ATOM 545 N LEU A 37 -0.613 3.356 -3.608 1.00 0.00 N ATOM 546 CA LEU A 37 -0.140 2.596 -4.761 1.00 0.00 C ATOM 547 C LEU A 37 0.554 1.312 -4.319 1.00 0.00 C ATOM 548 O LEU A 37 0.914 1.159 -3.152 1.00 0.00 O ATOM 549 CB LEU A 37 0.817 3.446 -5.598 1.00 0.00 C ATOM 550 CG LEU A 37 0.200 4.653 -6.305 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.220 5.773 -6.438 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.336 4.253 -7.672 1.00 0.00 C ATOM 0 H LEU A 37 0.078 3.471 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.004 2.328 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.618 3.801 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.276 2.805 -6.351 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.632 5.017 -5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.763 6.623 -6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.557 6.078 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.073 5.421 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.772 5.124 -8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.479 3.864 -8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.100 3.484 -7.553 1.00 0.00 H new ATOM 564 N ARG A 38 0.741 0.393 -5.261 1.00 0.00 N ATOM 565 CA ARG A 38 1.394 -0.877 -4.970 1.00 0.00 C ATOM 566 C ARG A 38 2.069 -1.441 -6.217 1.00 0.00 C ATOM 567 O ARG A 38 1.402 -1.800 -7.187 1.00 0.00 O ATOM 568 CB ARG A 38 0.378 -1.884 -4.428 1.00 0.00 C ATOM 569 CG ARG A 38 1.005 -3.181 -3.942 1.00 0.00 C ATOM 570 CD ARG A 38 0.099 -3.904 -2.958 1.00 0.00 C ATOM 571 NE ARG A 38 -0.851 -4.784 -3.633 1.00 0.00 N ATOM 572 CZ ARG A 38 -0.490 -5.830 -4.367 1.00 0.00 C ATOM 573 NH1 ARG A 38 0.794 -6.126 -4.520 1.00 0.00 N ATOM 574 NH2 ARG A 38 -1.413 -6.583 -4.951 1.00 0.00 N ATOM 0 H ARG A 38 0.449 0.505 -6.232 1.00 0.00 H new ATOM 0 HA ARG A 38 2.159 -0.698 -4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.172 -1.426 -3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.347 -2.111 -5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.209 -3.829 -4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.963 -2.968 -3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.707 -4.489 -2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.446 -3.172 -2.362 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.846 -4.584 -3.535 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.507 -5.549 -4.073 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.068 -6.930 -5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.401 -6.359 -4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.134 -7.386 -5.515 1.00 0.00 H new ATOM 588 N ASP A 39 3.395 -1.514 -6.184 1.00 0.00 N ATOM 589 CA ASP A 39 4.160 -2.034 -7.311 1.00 0.00 C ATOM 590 C ASP A 39 3.940 -1.181 -8.557 1.00 0.00 C ATOM 591 O ASP A 39 4.081 -1.660 -9.682 1.00 0.00 O ATOM 592 CB ASP A 39 3.769 -3.485 -7.595 1.00 0.00 C ATOM 593 CG ASP A 39 4.609 -4.474 -6.812 1.00 0.00 C ATOM 594 OD1 ASP A 39 5.851 -4.344 -6.832 1.00 0.00 O ATOM 595 OD2 ASP A 39 4.026 -5.380 -6.180 1.00 0.00 O ATOM 0 H ASP A 39 3.962 -1.220 -5.389 1.00 0.00 H new ATOM 0 HA ASP A 39 5.217 -1.996 -7.049 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.717 -3.630 -7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.876 -3.685 -8.661 1.00 0.00 H new ATOM 600 N GLY A 40 3.591 0.085 -8.348 1.00 0.00 N ATOM 601 CA GLY A 40 3.355 0.983 -9.463 1.00 0.00 C ATOM 602 C GLY A 40 1.940 0.885 -9.997 1.00 0.00 C ATOM 603 O GLY A 40 1.729 0.819 -11.208 1.00 0.00 O ATOM 0 H GLY A 40 3.468 0.504 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.551 2.008 -9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.059 0.756 -10.264 1.00 0.00 H new ATOM 607 N VAL A 41 0.967 0.874 -9.092 1.00 0.00 N ATOM 608 CA VAL A 41 -0.436 0.783 -9.478 1.00 0.00 C ATOM 609 C VAL A 41 -1.351 1.177 -8.324 1.00 0.00 C ATOM 610 O VAL A 41 -1.005 0.998 -7.157 1.00 0.00 O ATOM 611 CB VAL A 41 -0.799 -0.640 -9.943 1.00 0.00 C ATOM 612 CG1 VAL A 41 -0.940 -1.572 -8.749 1.00 0.00 C ATOM 613 CG2 VAL A 41 -2.076 -0.621 -10.769 1.00 0.00 C ATOM 0 H VAL A 41 1.125 0.927 -8.086 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.581 1.477 -10.306 1.00 0.00 H new ATOM 0 HB VAL A 41 0.008 -1.015 -10.573 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.197 -2.573 -9.097 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.002 -1.608 -8.203 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.727 -1.204 -8.091 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.317 -1.635 -11.089 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.894 -0.227 -10.166 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.933 0.012 -11.645 1.00 0.00 H new ATOM 623 N GLN A 42 -2.519 1.715 -8.660 1.00 0.00 N ATOM 624 CA GLN A 42 -3.484 2.135 -7.650 1.00 0.00 C ATOM 625 C GLN A 42 -3.834 0.980 -6.718 1.00 0.00 C ATOM 626 O GLN A 42 -4.188 -0.110 -7.168 1.00 0.00 O ATOM 627 CB GLN A 42 -4.752 2.669 -8.318 1.00 0.00 C ATOM 628 CG GLN A 42 -5.808 3.139 -7.330 1.00 0.00 C ATOM 629 CD GLN A 42 -5.661 4.605 -6.973 1.00 0.00 C ATOM 630 OE1 GLN A 42 -4.619 4.928 -6.215 1.00 0.00 O flip ATOM 631 NE2 GLN A 42 -6.475 5.438 -7.372 1.00 0.00 N flip ATOM 0 H GLN A 42 -2.820 1.870 -9.622 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.031 2.930 -7.058 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.486 3.498 -8.974 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.178 1.888 -8.948 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.798 2.970 -7.754 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.743 2.539 -6.422 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.261 5.146 -7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.363 6.421 -7.122 1.00 0.00 H new ATOM 640 N LEU A 43 -3.732 1.226 -5.416 1.00 0.00 N ATOM 641 CA LEU A 43 -4.037 0.206 -4.419 1.00 0.00 C ATOM 642 C LEU A 43 -5.540 0.119 -4.171 1.00 0.00 C ATOM 643 O LEU A 43 -6.252 1.118 -4.263 1.00 0.00 O ATOM 644 CB LEU A 43 -3.309 0.512 -3.109 1.00 0.00 C ATOM 645 CG LEU A 43 -3.361 -0.582 -2.041 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.861 -1.903 -2.604 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.546 -0.176 -0.822 1.00 0.00 C ATOM 0 H LEU A 43 -3.441 2.123 -5.027 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.695 -0.755 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.264 0.720 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.730 1.424 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.398 -0.713 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.906 -2.669 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.487 -2.201 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.831 -1.788 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.594 -0.966 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.508 -0.016 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.951 0.746 -0.404 1.00 0.00 H new ATOM 659 N ALA A 44 -6.014 -1.081 -3.854 1.00 0.00 N ATOM 660 CA ALA A 44 -7.431 -1.297 -3.588 1.00 0.00 C ATOM 661 C ALA A 44 -7.638 -1.993 -2.247 1.00 0.00 C ATOM 662 O ALA A 44 -6.721 -2.617 -1.714 1.00 0.00 O ATOM 663 CB ALA A 44 -8.060 -2.110 -4.710 1.00 0.00 C ATOM 0 H ALA A 44 -5.438 -1.919 -3.775 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.920 -0.324 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.118 -2.264 -4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.953 -1.573 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.560 -3.076 -4.784 1.00 0.00 H new ATOM 669 N GLU A 45 -8.848 -1.880 -1.708 1.00 0.00 N ATOM 670 CA GLU A 45 -9.173 -2.498 -0.428 1.00 0.00 C ATOM 671 C GLU A 45 -10.114 -3.684 -0.620 1.00 0.00 C ATOM 672 O GLU A 45 -10.763 -3.814 -1.658 1.00 0.00 O ATOM 673 CB GLU A 45 -9.813 -1.473 0.511 1.00 0.00 C ATOM 674 CG GLU A 45 -9.324 -0.052 0.283 1.00 0.00 C ATOM 675 CD GLU A 45 -10.254 0.987 0.879 1.00 0.00 C ATOM 676 OE1 GLU A 45 -10.866 0.703 1.930 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.370 2.084 0.294 1.00 0.00 O ATOM 0 H GLU A 45 -9.618 -1.367 -2.137 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.246 -2.859 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.895 -1.501 0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.606 -1.759 1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.331 0.061 0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.224 0.127 -0.788 1.00 0.00 H new ATOM 684 N SER A 46 -10.183 -4.547 0.389 1.00 0.00 N ATOM 685 CA SER A 46 -11.040 -5.725 0.330 1.00 0.00 C ATOM 686 C SER A 46 -11.330 -6.256 1.731 1.00 0.00 C ATOM 687 O SER A 46 -10.899 -5.678 2.727 1.00 0.00 O ATOM 688 CB SER A 46 -10.385 -6.818 -0.517 1.00 0.00 C ATOM 689 OG SER A 46 -9.086 -7.123 -0.039 1.00 0.00 O ATOM 0 H SER A 46 -9.656 -4.452 1.257 1.00 0.00 H new ATOM 0 HA SER A 46 -11.983 -5.435 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.003 -7.716 -0.499 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.327 -6.492 -1.555 1.00 0.00 H new ATOM 0 HG SER A 46 -8.689 -7.825 -0.596 1.00 0.00 H new ATOM 695 N ASN A 47 -12.063 -7.363 1.797 1.00 0.00 N ATOM 696 CA ASN A 47 -12.412 -7.973 3.075 1.00 0.00 C ATOM 697 C ASN A 47 -11.229 -7.932 4.038 1.00 0.00 C ATOM 698 O ASN A 47 -11.404 -7.764 5.245 1.00 0.00 O ATOM 699 CB ASN A 47 -12.864 -9.420 2.866 1.00 0.00 C ATOM 700 CG ASN A 47 -13.782 -9.572 1.669 1.00 0.00 C ATOM 701 OD1 ASN A 47 -13.324 -9.703 0.534 1.00 0.00 O ATOM 702 ND2 ASN A 47 -15.087 -9.554 1.917 1.00 0.00 N ATOM 0 H ASN A 47 -12.426 -7.856 0.981 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.232 -7.402 3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.989 -10.055 2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -13.378 -9.770 3.761 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -15.753 -9.651 1.151 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -15.423 -9.443 2.874 1.00 0.00 H new ATOM 709 N ARG A 48 -10.026 -8.086 3.495 1.00 0.00 N ATOM 710 CA ARG A 48 -8.814 -8.067 4.306 1.00 0.00 C ATOM 711 C ARG A 48 -8.157 -6.691 4.270 1.00 0.00 C ATOM 712 O ARG A 48 -7.982 -6.046 5.305 1.00 0.00 O ATOM 713 CB ARG A 48 -7.828 -9.128 3.813 1.00 0.00 C ATOM 714 CG ARG A 48 -8.294 -10.554 4.059 1.00 0.00 C ATOM 715 CD ARG A 48 -7.294 -11.566 3.523 1.00 0.00 C ATOM 716 NE ARG A 48 -7.204 -11.527 2.066 1.00 0.00 N ATOM 717 CZ ARG A 48 -8.123 -12.045 1.258 1.00 0.00 C ATOM 718 NH1 ARG A 48 -9.196 -12.637 1.764 1.00 0.00 N ATOM 719 NH2 ARG A 48 -7.971 -11.969 -0.058 1.00 0.00 N ATOM 0 H ARG A 48 -9.864 -8.225 2.498 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.093 -8.290 5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.661 -8.988 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.868 -8.978 4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.436 -10.712 5.128 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.262 -10.709 3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.312 -11.368 3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.585 -12.567 3.842 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.391 -11.077 1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.317 -12.695 2.775 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.900 -13.034 1.142 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.148 -11.512 -0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.677 -12.367 -0.677 1.00 0.00 H new ATOM 733 N THR A 49 -7.795 -6.245 3.071 1.00 0.00 N ATOM 734 CA THR A 49 -7.156 -4.946 2.900 1.00 0.00 C ATOM 735 C THR A 49 -8.119 -3.812 3.229 1.00 0.00 C ATOM 736 O THR A 49 -9.312 -3.891 2.933 1.00 0.00 O ATOM 737 CB THR A 49 -6.635 -4.762 1.462 1.00 0.00 C ATOM 738 OG1 THR A 49 -5.833 -5.885 1.084 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.817 -3.485 1.342 1.00 0.00 C ATOM 0 H THR A 49 -7.934 -6.764 2.204 1.00 0.00 H new ATOM 0 HA THR A 49 -6.313 -4.914 3.591 1.00 0.00 H new ATOM 0 HB THR A 49 -7.494 -4.689 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.507 -5.761 0.168 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.460 -3.377 0.318 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.439 -2.629 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.965 -3.534 2.020 1.00 0.00 H new ATOM 747 N ARG A 50 -7.595 -2.756 3.842 1.00 0.00 N ATOM 748 CA ARG A 50 -8.410 -1.605 4.212 1.00 0.00 C ATOM 749 C ARG A 50 -7.597 -0.316 4.134 1.00 0.00 C ATOM 750 O ARG A 50 -6.600 -0.156 4.839 1.00 0.00 O ATOM 751 CB ARG A 50 -8.971 -1.782 5.624 1.00 0.00 C ATOM 752 CG ARG A 50 -9.670 -0.544 6.162 1.00 0.00 C ATOM 753 CD ARG A 50 -11.142 -0.526 5.780 1.00 0.00 C ATOM 754 NE ARG A 50 -11.882 0.505 6.503 1.00 0.00 N ATOM 755 CZ ARG A 50 -13.079 0.946 6.132 1.00 0.00 C ATOM 756 NH1 ARG A 50 -13.668 0.449 5.053 1.00 0.00 N ATOM 757 NH2 ARG A 50 -13.690 1.887 6.842 1.00 0.00 N ATOM 0 H ARG A 50 -6.610 -2.673 4.093 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.238 -1.536 3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.674 -2.615 5.625 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.158 -2.051 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.574 -0.513 7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.181 0.349 5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.236 -0.355 4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.582 -1.501 5.987 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.457 0.908 7.338 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.202 -0.274 4.505 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.587 0.790 4.771 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.240 2.272 7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.609 2.225 6.557 1.00 0.00 H new ATOM 771 N ILE A 51 -8.029 0.600 3.273 1.00 0.00 N ATOM 772 CA ILE A 51 -7.342 1.874 3.104 1.00 0.00 C ATOM 773 C ILE A 51 -8.127 3.011 3.749 1.00 0.00 C ATOM 774 O ILE A 51 -9.122 3.485 3.199 1.00 0.00 O ATOM 775 CB ILE A 51 -7.117 2.199 1.616 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.188 1.163 0.980 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.544 3.599 1.460 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.362 1.034 -0.517 1.00 0.00 C ATOM 0 H ILE A 51 -8.852 0.483 2.682 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.374 1.779 3.596 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.078 2.162 1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.154 1.433 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.367 0.193 1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.391 3.814 0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.239 4.326 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.591 3.663 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.672 0.282 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.386 0.734 -0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.154 1.993 -0.991 1.00 0.00 H new ATOM 790 N THR A 52 -7.672 3.448 4.919 1.00 0.00 N ATOM 791 CA THR A 52 -8.330 4.531 5.639 1.00 0.00 C ATOM 792 C THR A 52 -7.871 5.891 5.126 1.00 0.00 C ATOM 793 O THR A 52 -8.146 6.922 5.740 1.00 0.00 O ATOM 794 CB THR A 52 -8.057 4.447 7.153 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.646 4.460 7.397 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.667 3.184 7.743 1.00 0.00 C ATOM 0 H THR A 52 -6.850 3.068 5.388 1.00 0.00 H new ATOM 0 HA THR A 52 -9.400 4.422 5.464 1.00 0.00 H new ATOM 0 HB THR A 52 -8.516 5.312 7.632 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.241 3.651 7.020 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.462 3.146 8.813 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.745 3.190 7.580 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.232 2.310 7.259 1.00 0.00 H new ATOM 804 N GLY A 53 -7.170 5.887 3.996 1.00 0.00 N ATOM 805 CA GLY A 53 -6.685 7.127 3.420 1.00 0.00 C ATOM 806 C GLY A 53 -5.189 7.303 3.597 1.00 0.00 C ATOM 807 O GLY A 53 -4.448 7.384 2.618 1.00 0.00 O ATOM 0 H GLY A 53 -6.930 5.047 3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.927 7.150 2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.204 7.966 3.883 1.00 0.00 H new ATOM 811 N GLU A 54 -4.746 7.362 4.849 1.00 0.00 N ATOM 812 CA GLU A 54 -3.329 7.531 5.150 1.00 0.00 C ATOM 813 C GLU A 54 -2.772 6.300 5.858 1.00 0.00 C ATOM 814 O GLU A 54 -1.581 6.230 6.158 1.00 0.00 O ATOM 815 CB GLU A 54 -3.114 8.773 6.017 1.00 0.00 C ATOM 816 CG GLU A 54 -3.216 8.499 7.508 1.00 0.00 C ATOM 817 CD GLU A 54 -3.682 9.709 8.294 1.00 0.00 C ATOM 818 OE1 GLU A 54 -4.843 10.129 8.106 1.00 0.00 O ATOM 819 OE2 GLU A 54 -2.884 10.237 9.097 1.00 0.00 O ATOM 0 H GLU A 54 -5.347 7.295 5.670 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.796 7.658 4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.132 9.192 5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.851 9.529 5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.908 7.674 7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.243 8.180 7.882 1.00 0.00 H new ATOM 826 N GLU A 55 -3.644 5.331 6.122 1.00 0.00 N ATOM 827 CA GLU A 55 -3.239 4.103 6.796 1.00 0.00 C ATOM 828 C GLU A 55 -3.890 2.886 6.146 1.00 0.00 C ATOM 829 O GLU A 55 -5.095 2.873 5.893 1.00 0.00 O ATOM 830 CB GLU A 55 -3.610 4.163 8.279 1.00 0.00 C ATOM 831 CG GLU A 55 -2.574 4.869 9.138 1.00 0.00 C ATOM 832 CD GLU A 55 -3.028 5.045 10.574 1.00 0.00 C ATOM 833 OE1 GLU A 55 -3.121 4.031 11.296 1.00 0.00 O ATOM 834 OE2 GLU A 55 -3.291 6.199 10.975 1.00 0.00 O ATOM 0 H GLU A 55 -4.634 5.373 5.880 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.157 4.007 6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.567 4.674 8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.748 3.148 8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.645 4.299 9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.356 5.846 8.708 1.00 0.00 H new ATOM 841 N VAL A 56 -3.085 1.863 5.878 1.00 0.00 N ATOM 842 CA VAL A 56 -3.581 0.641 5.258 1.00 0.00 C ATOM 843 C VAL A 56 -3.547 -0.526 6.239 1.00 0.00 C ATOM 844 O VAL A 56 -2.608 -0.663 7.023 1.00 0.00 O ATOM 845 CB VAL A 56 -2.759 0.270 4.009 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.165 -1.100 3.490 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.926 1.329 2.930 1.00 0.00 C ATOM 0 H VAL A 56 -2.085 1.857 6.081 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.612 0.834 4.961 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.706 0.229 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.574 -1.345 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.990 -1.848 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.223 -1.091 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.339 1.052 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.978 1.404 2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.581 2.291 3.308 1.00 0.00 H new ATOM 857 N GLU A 57 -4.578 -1.364 6.190 1.00 0.00 N ATOM 858 CA GLU A 57 -4.666 -2.519 7.076 1.00 0.00 C ATOM 859 C GLU A 57 -5.197 -3.738 6.328 1.00 0.00 C ATOM 860 O GLU A 57 -6.310 -3.723 5.803 1.00 0.00 O ATOM 861 CB GLU A 57 -5.570 -2.206 8.270 1.00 0.00 C ATOM 862 CG GLU A 57 -5.786 -3.391 9.197 1.00 0.00 C ATOM 863 CD GLU A 57 -6.637 -3.041 10.402 1.00 0.00 C ATOM 864 OE1 GLU A 57 -6.113 -2.389 11.329 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.826 -3.420 10.418 1.00 0.00 O ATOM 0 H GLU A 57 -5.363 -1.265 5.547 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.663 -2.745 7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.135 -1.385 8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.537 -1.862 7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.263 -4.199 8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.819 -3.764 9.535 1.00 0.00 H new ATOM 872 N VAL A 58 -4.391 -4.795 6.284 1.00 0.00 N ATOM 873 CA VAL A 58 -4.778 -6.024 5.601 1.00 0.00 C ATOM 874 C VAL A 58 -4.760 -7.212 6.556 1.00 0.00 C ATOM 875 O VAL A 58 -3.700 -7.631 7.021 1.00 0.00 O ATOM 876 CB VAL A 58 -3.848 -6.322 4.411 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.442 -7.408 3.527 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.586 -5.055 3.610 1.00 0.00 C ATOM 0 H VAL A 58 -3.466 -4.825 6.713 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.792 -5.874 5.231 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.896 -6.684 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.770 -7.605 2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.573 -8.320 4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.409 -7.079 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.927 -5.284 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.530 -4.662 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.113 -4.311 4.251 1.00 0.00 H new ATOM 888 N GLN A 59 -5.940 -7.751 6.845 1.00 0.00 N ATOM 889 CA GLN A 59 -6.060 -8.891 7.745 1.00 0.00 C ATOM 890 C GLN A 59 -5.629 -10.179 7.052 1.00 0.00 C ATOM 891 O GLN A 59 -5.870 -10.365 5.859 1.00 0.00 O ATOM 892 CB GLN A 59 -7.499 -9.024 8.246 1.00 0.00 C ATOM 893 CG GLN A 59 -7.979 -7.824 9.045 1.00 0.00 C ATOM 894 CD GLN A 59 -9.421 -7.958 9.491 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.720 -8.648 10.467 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.326 -7.298 8.778 1.00 0.00 N ATOM 0 H GLN A 59 -6.827 -7.416 6.468 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.401 -8.720 8.597 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.160 -9.169 7.392 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.578 -9.917 8.865 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.342 -7.697 9.921 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.872 -6.924 8.440 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.035 -6.738 7.977 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.313 -7.351 9.031 1.00 0.00 H new ATOM 905 N ASP A 60 -4.989 -11.066 7.807 1.00 0.00 N ATOM 906 CA ASP A 60 -4.525 -12.338 7.265 1.00 0.00 C ATOM 907 C ASP A 60 -3.665 -12.118 6.024 1.00 0.00 C ATOM 908 O ASP A 60 -3.813 -12.818 5.022 1.00 0.00 O ATOM 909 CB ASP A 60 -5.715 -13.236 6.924 1.00 0.00 C ATOM 910 CG ASP A 60 -5.368 -14.710 7.001 1.00 0.00 C ATOM 911 OD1 ASP A 60 -5.449 -15.282 8.108 1.00 0.00 O ATOM 912 OD2 ASP A 60 -5.017 -15.292 5.953 1.00 0.00 O ATOM 0 H ASP A 60 -4.780 -10.927 8.796 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.916 -12.828 8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.536 -13.023 7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.068 -13.001 5.920 1.00 0.00 H new ATOM 917 N SER A 61 -2.767 -11.141 6.098 1.00 0.00 N ATOM 918 CA SER A 61 -1.887 -10.826 4.979 1.00 0.00 C ATOM 919 C SER A 61 -1.378 -12.101 4.312 1.00 0.00 C ATOM 920 O SER A 61 -1.453 -13.188 4.886 1.00 0.00 O ATOM 921 CB SER A 61 -0.705 -9.979 5.455 1.00 0.00 C ATOM 922 OG SER A 61 0.203 -10.754 6.219 1.00 0.00 O ATOM 0 H SER A 61 -2.630 -10.554 6.921 1.00 0.00 H new ATOM 0 HA SER A 61 -2.461 -10.258 4.247 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.189 -9.552 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.069 -9.145 6.054 1.00 0.00 H new ATOM 0 HG SER A 61 0.950 -10.190 6.510 1.00 0.00 H new ATOM 928 N VAL A 62 -0.859 -11.959 3.097 1.00 0.00 N ATOM 929 CA VAL A 62 -0.336 -13.097 2.351 1.00 0.00 C ATOM 930 C VAL A 62 0.886 -12.702 1.530 1.00 0.00 C ATOM 931 O VAL A 62 1.129 -11.526 1.259 1.00 0.00 O ATOM 932 CB VAL A 62 -1.403 -13.690 1.411 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.181 -14.791 2.114 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.338 -12.599 0.912 1.00 0.00 C ATOM 0 H VAL A 62 -0.789 -11.067 2.608 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.049 -13.851 3.084 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.900 -14.128 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.930 -15.198 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.497 -15.584 2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.675 -14.382 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.085 -13.035 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.835 -12.130 1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.764 -11.849 0.368 1.00 0.00 H new ATOM 944 N PRO A 63 1.676 -13.707 1.123 1.00 0.00 N ATOM 945 CA PRO A 63 2.886 -13.489 0.326 1.00 0.00 C ATOM 946 C PRO A 63 2.571 -13.032 -1.094 1.00 0.00 C ATOM 947 O PRO A 63 3.471 -12.857 -1.915 1.00 0.00 O ATOM 948 CB PRO A 63 3.552 -14.867 0.308 1.00 0.00 C ATOM 949 CG PRO A 63 2.435 -15.830 0.516 1.00 0.00 C ATOM 950 CD PRO A 63 1.447 -15.133 1.410 1.00 0.00 C ATOM 0 HA PRO A 63 3.513 -12.702 0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.060 -15.049 -0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.302 -14.955 1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.975 -16.105 -0.433 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.794 -16.751 0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.422 -15.429 1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.622 -15.365 2.461 1.00 0.00 H new ATOM 958 N ALA A 64 1.287 -12.840 -1.378 1.00 0.00 N ATOM 959 CA ALA A 64 0.853 -12.401 -2.698 1.00 0.00 C ATOM 960 C ALA A 64 0.483 -10.922 -2.690 1.00 0.00 C ATOM 961 O ALA A 64 0.536 -10.253 -3.723 1.00 0.00 O ATOM 962 CB ALA A 64 -0.324 -13.239 -3.173 1.00 0.00 C ATOM 0 H ALA A 64 0.529 -12.982 -0.711 1.00 0.00 H new ATOM 0 HA ALA A 64 1.684 -12.537 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.637 -12.900 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.027 -14.286 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.153 -13.132 -2.473 1.00 0.00 H new ATOM 968 N ASP A 65 0.106 -10.417 -1.521 1.00 0.00 N ATOM 969 CA ASP A 65 -0.274 -9.016 -1.379 1.00 0.00 C ATOM 970 C ASP A 65 0.958 -8.136 -1.188 1.00 0.00 C ATOM 971 O ASP A 65 0.931 -6.941 -1.482 1.00 0.00 O ATOM 972 CB ASP A 65 -1.228 -8.842 -0.197 1.00 0.00 C ATOM 973 CG ASP A 65 -2.516 -9.622 -0.373 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.942 -9.810 -1.531 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.099 -10.043 0.649 1.00 0.00 O ATOM 0 H ASP A 65 0.055 -10.957 -0.657 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.781 -8.708 -2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.732 -9.167 0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.461 -7.784 -0.075 1.00 0.00 H new ATOM 980 N SER A 66 2.036 -8.735 -0.693 1.00 0.00 N ATOM 981 CA SER A 66 3.276 -8.005 -0.458 1.00 0.00 C ATOM 982 C SER A 66 3.648 -7.161 -1.673 1.00 0.00 C ATOM 983 O SER A 66 2.999 -7.234 -2.716 1.00 0.00 O ATOM 984 CB SER A 66 4.412 -8.978 -0.132 1.00 0.00 C ATOM 985 OG SER A 66 4.636 -9.877 -1.204 1.00 0.00 O ATOM 0 H SER A 66 2.076 -9.724 -0.447 1.00 0.00 H new ATOM 0 HA SER A 66 3.121 -7.340 0.392 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.325 -8.420 0.076 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.168 -9.537 0.771 1.00 0.00 H new ATOM 0 HG SER A 66 5.367 -10.487 -0.972 1.00 0.00 H new ATOM 991 N GLY A 67 4.698 -6.358 -1.529 1.00 0.00 N ATOM 992 CA GLY A 67 5.139 -5.510 -2.622 1.00 0.00 C ATOM 993 C GLY A 67 5.701 -4.188 -2.139 1.00 0.00 C ATOM 994 O GLY A 67 6.165 -4.079 -1.003 1.00 0.00 O ATOM 0 H GLY A 67 5.251 -6.279 -0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.899 -6.035 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.301 -5.322 -3.293 1.00 0.00 H new ATOM 998 N LEU A 68 5.662 -3.180 -3.003 1.00 0.00 N ATOM 999 CA LEU A 68 6.173 -1.857 -2.659 1.00 0.00 C ATOM 1000 C LEU A 68 5.054 -0.820 -2.675 1.00 0.00 C ATOM 1001 O LEU A 68 4.730 -0.258 -3.721 1.00 0.00 O ATOM 1002 CB LEU A 68 7.278 -1.446 -3.634 1.00 0.00 C ATOM 1003 CG LEU A 68 7.953 -0.103 -3.356 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.699 -0.145 -2.032 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.898 0.264 -4.491 1.00 0.00 C ATOM 0 H LEU A 68 5.282 -3.253 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 68 6.585 -1.905 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.044 -2.222 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.856 -1.417 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 68 7.181 0.663 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.173 0.820 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.998 -0.362 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.462 -0.923 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.370 1.223 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.665 -0.504 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.337 0.336 -5.423 1.00 0.00 H new ATOM 1017 N TYR A 69 4.470 -0.571 -1.508 1.00 0.00 N ATOM 1018 CA TYR A 69 3.387 0.398 -1.387 1.00 0.00 C ATOM 1019 C TYR A 69 3.927 1.825 -1.423 1.00 0.00 C ATOM 1020 O TYR A 69 4.949 2.129 -0.809 1.00 0.00 O ATOM 1021 CB TYR A 69 2.610 0.168 -0.090 1.00 0.00 C ATOM 1022 CG TYR A 69 1.965 -1.197 -0.005 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.722 -2.330 0.268 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.597 -1.354 -0.198 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.136 -3.579 0.345 1.00 0.00 C ATOM 1026 CE2 TYR A 69 0.003 -2.598 -0.121 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.777 -3.708 0.150 1.00 0.00 C ATOM 1028 OH TYR A 69 0.190 -4.950 0.228 1.00 0.00 O ATOM 0 H TYR A 69 4.728 -1.027 -0.633 1.00 0.00 H new ATOM 0 HA TYR A 69 2.715 0.261 -2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.286 0.295 0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.838 0.932 0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.786 -2.233 0.423 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.012 -0.488 -0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.739 -4.450 0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.061 -2.702 -0.272 1.00 0.00 H new ATOM 0 HH TYR A 69 0.628 -5.559 -0.403 1.00 0.00 H new ATOM 1038 N ALA A 70 3.231 2.696 -2.147 1.00 0.00 N ATOM 1039 CA ALA A 70 3.637 4.091 -2.262 1.00 0.00 C ATOM 1040 C ALA A 70 2.438 5.024 -2.135 1.00 0.00 C ATOM 1041 O ALA A 70 1.525 4.994 -2.961 1.00 0.00 O ATOM 1042 CB ALA A 70 4.353 4.325 -3.583 1.00 0.00 C ATOM 0 H ALA A 70 2.383 2.460 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 70 4.324 4.312 -1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.650 5.371 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.239 3.692 -3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.684 4.080 -4.408 1.00 0.00 H new ATOM 1048 N CYS A 71 2.445 5.852 -1.096 1.00 0.00 N ATOM 1049 CA CYS A 71 1.357 6.794 -0.860 1.00 0.00 C ATOM 1050 C CYS A 71 1.708 8.177 -1.402 1.00 0.00 C ATOM 1051 O CYS A 71 2.739 8.751 -1.049 1.00 0.00 O ATOM 1052 CB CYS A 71 1.047 6.883 0.635 1.00 0.00 C ATOM 1053 SG CYS A 71 2.163 7.986 1.561 1.00 0.00 S ATOM 0 H CYS A 71 3.193 5.890 -0.403 1.00 0.00 H new ATOM 0 HA CYS A 71 0.474 6.431 -1.386 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.022 7.231 0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.101 5.884 1.067 1.00 0.00 H new ATOM 1058 N VAL A 72 0.843 8.707 -2.261 1.00 0.00 N ATOM 1059 CA VAL A 72 1.060 10.022 -2.851 1.00 0.00 C ATOM 1060 C VAL A 72 -0.009 11.010 -2.398 1.00 0.00 C ATOM 1061 O VAL A 72 -1.199 10.814 -2.651 1.00 0.00 O ATOM 1062 CB VAL A 72 1.063 9.955 -4.389 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.604 11.248 -4.980 1.00 0.00 C ATOM 1064 CG2 VAL A 72 1.874 8.760 -4.868 1.00 0.00 C ATOM 0 H VAL A 72 -0.015 8.245 -2.564 1.00 0.00 H new ATOM 0 HA VAL A 72 2.037 10.365 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 72 0.036 9.830 -4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.598 11.181 -6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.978 12.082 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.624 11.408 -4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.866 8.728 -5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.901 8.853 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.437 7.842 -4.474 1.00 0.00 H new ATOM 1074 N THR A 73 0.421 12.075 -1.728 1.00 0.00 N ATOM 1075 CA THR A 73 -0.499 13.094 -1.239 1.00 0.00 C ATOM 1076 C THR A 73 -0.413 14.362 -2.081 1.00 0.00 C ATOM 1077 O THR A 73 0.679 14.829 -2.406 1.00 0.00 O ATOM 1078 CB THR A 73 -0.214 13.448 0.232 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.052 14.108 0.341 1.00 0.00 O ATOM 1080 CG2 THR A 73 -0.218 12.199 1.100 1.00 0.00 C ATOM 0 H THR A 73 1.402 12.254 -1.512 1.00 0.00 H new ATOM 0 HA THR A 73 -1.503 12.677 -1.317 1.00 0.00 H new ATOM 0 HB THR A 73 -1.002 14.116 0.581 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.374 14.048 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.014 12.474 2.135 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.193 11.716 1.038 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.551 11.510 0.750 1.00 0.00 H new ATOM 1088 N SER A 74 -1.570 14.914 -2.432 1.00 0.00 N ATOM 1089 CA SER A 74 -1.625 16.127 -3.239 1.00 0.00 C ATOM 1090 C SER A 74 -1.648 17.369 -2.353 1.00 0.00 C ATOM 1091 O SER A 74 -2.622 17.620 -1.643 1.00 0.00 O ATOM 1092 CB SER A 74 -2.859 16.108 -4.143 1.00 0.00 C ATOM 1093 OG SER A 74 -2.680 15.218 -5.231 1.00 0.00 O ATOM 0 H SER A 74 -2.482 14.540 -2.170 1.00 0.00 H new ATOM 0 HA SER A 74 -0.730 16.162 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.733 15.809 -3.564 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.054 17.112 -4.519 1.00 0.00 H new ATOM 0 HG SER A 74 -3.483 15.223 -5.793 1.00 0.00 H new ATOM 1099 N SER A 75 -0.569 18.142 -2.401 1.00 0.00 N ATOM 1100 CA SER A 75 -0.462 19.356 -1.600 1.00 0.00 C ATOM 1101 C SER A 75 -0.119 20.557 -2.477 1.00 0.00 C ATOM 1102 O SER A 75 0.517 20.432 -3.524 1.00 0.00 O ATOM 1103 CB SER A 75 0.600 19.184 -0.513 1.00 0.00 C ATOM 1104 OG SER A 75 1.905 19.252 -1.060 1.00 0.00 O ATOM 0 H SER A 75 0.244 17.950 -2.986 1.00 0.00 H new ATOM 0 HA SER A 75 -1.428 19.536 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.479 19.959 0.244 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.461 18.225 -0.013 1.00 0.00 H new ATOM 0 HG SER A 75 2.147 18.381 -1.438 1.00 0.00 H new ATOM 1110 N PRO A 76 -0.549 21.750 -2.040 1.00 0.00 N ATOM 1111 CA PRO A 76 -0.299 22.997 -2.769 1.00 0.00 C ATOM 1112 C PRO A 76 1.170 23.404 -2.734 1.00 0.00 C ATOM 1113 O PRO A 76 1.557 24.418 -3.315 1.00 0.00 O ATOM 1114 CB PRO A 76 -1.156 24.022 -2.022 1.00 0.00 C ATOM 1115 CG PRO A 76 -1.296 23.469 -0.646 1.00 0.00 C ATOM 1116 CD PRO A 76 -1.312 21.973 -0.801 1.00 0.00 C ATOM 0 HA PRO A 76 -0.544 22.907 -3.827 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.679 25.002 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.128 24.148 -2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.469 23.787 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.213 23.822 -0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.849 21.476 0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.329 21.588 -0.880 1.00 0.00 H new ATOM 1124 N SER A 77 1.984 22.608 -2.048 1.00 0.00 N ATOM 1125 CA SER A 77 3.411 22.888 -1.935 1.00 0.00 C ATOM 1126 C SER A 77 4.232 21.829 -2.665 1.00 0.00 C ATOM 1127 O SER A 77 5.435 21.990 -2.866 1.00 0.00 O ATOM 1128 CB SER A 77 3.825 22.946 -0.464 1.00 0.00 C ATOM 1129 OG SER A 77 5.167 23.382 -0.329 1.00 0.00 O ATOM 0 H SER A 77 1.680 21.764 -1.562 1.00 0.00 H new ATOM 0 HA SER A 77 3.604 23.856 -2.398 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.163 23.622 0.077 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.712 21.961 -0.012 1.00 0.00 H new ATOM 0 HG SER A 77 5.678 23.117 -1.122 1.00 0.00 H new ATOM 1135 N GLY A 78 3.571 20.744 -3.059 1.00 0.00 N ATOM 1136 CA GLY A 78 4.254 19.674 -3.761 1.00 0.00 C ATOM 1137 C GLY A 78 3.774 18.301 -3.334 1.00 0.00 C ATOM 1138 O GLY A 78 3.737 17.992 -2.143 1.00 0.00 O ATOM 0 H GLY A 78 2.575 20.588 -2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.101 19.792 -4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.326 19.753 -3.582 1.00 0.00 H new ATOM 1142 N SER A 79 3.405 17.475 -4.308 1.00 0.00 N ATOM 1143 CA SER A 79 2.920 16.130 -4.026 1.00 0.00 C ATOM 1144 C SER A 79 4.036 15.257 -3.460 1.00 0.00 C ATOM 1145 O SER A 79 5.033 14.993 -4.131 1.00 0.00 O ATOM 1146 CB SER A 79 2.354 15.492 -5.297 1.00 0.00 C ATOM 1147 OG SER A 79 3.252 15.635 -6.383 1.00 0.00 O ATOM 0 H SER A 79 3.433 17.714 -5.299 1.00 0.00 H new ATOM 0 HA SER A 79 2.128 16.205 -3.281 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.158 14.434 -5.120 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.400 15.956 -5.547 1.00 0.00 H new ATOM 0 HG SER A 79 4.153 15.376 -6.098 1.00 0.00 H new ATOM 1153 N ASP A 80 3.859 14.813 -2.220 1.00 0.00 N ATOM 1154 CA ASP A 80 4.850 13.969 -1.562 1.00 0.00 C ATOM 1155 C ASP A 80 4.624 12.499 -1.902 1.00 0.00 C ATOM 1156 O ASP A 80 3.624 12.141 -2.526 1.00 0.00 O ATOM 1157 CB ASP A 80 4.796 14.169 -0.047 1.00 0.00 C ATOM 1158 CG ASP A 80 6.153 14.003 0.608 1.00 0.00 C ATOM 1159 OD1 ASP A 80 6.630 12.853 0.702 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.739 15.024 1.026 1.00 0.00 O ATOM 0 H ASP A 80 3.039 15.023 -1.651 1.00 0.00 H new ATOM 0 HA ASP A 80 5.836 14.259 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.410 15.165 0.171 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.097 13.454 0.386 1.00 0.00 H new ATOM 1165 N THR A 81 5.560 11.651 -1.488 1.00 0.00 N ATOM 1166 CA THR A 81 5.464 10.220 -1.750 1.00 0.00 C ATOM 1167 C THR A 81 6.180 9.415 -0.672 1.00 0.00 C ATOM 1168 O THR A 81 7.306 9.733 -0.288 1.00 0.00 O ATOM 1169 CB THR A 81 6.060 9.860 -3.124 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.585 10.774 -4.119 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.691 8.438 -3.518 1.00 0.00 C ATOM 0 H THR A 81 6.393 11.930 -0.970 1.00 0.00 H new ATOM 0 HA THR A 81 4.404 9.968 -1.744 1.00 0.00 H new ATOM 0 HB THR A 81 7.145 9.931 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.970 10.539 -4.989 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.123 8.206 -4.492 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.079 7.742 -2.774 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.606 8.345 -3.571 1.00 0.00 H new ATOM 1179 N THR A 82 5.520 8.367 -0.186 1.00 0.00 N ATOM 1180 CA THR A 82 6.093 7.516 0.848 1.00 0.00 C ATOM 1181 C THR A 82 6.024 6.046 0.452 1.00 0.00 C ATOM 1182 O THR A 82 4.938 5.488 0.288 1.00 0.00 O ATOM 1183 CB THR A 82 5.372 7.707 2.196 1.00 0.00 C ATOM 1184 OG1 THR A 82 4.943 9.066 2.334 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.285 7.337 3.356 1.00 0.00 C ATOM 0 H THR A 82 4.588 8.088 -0.493 1.00 0.00 H new ATOM 0 HA THR A 82 7.137 7.811 0.957 1.00 0.00 H new ATOM 0 HB THR A 82 4.503 7.049 2.215 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.985 9.128 2.139 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.754 7.480 4.297 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.585 6.293 3.264 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.171 7.972 3.339 1.00 0.00 H new ATOM 1193 N TYR A 83 7.187 5.424 0.299 1.00 0.00 N ATOM 1194 CA TYR A 83 7.258 4.018 -0.081 1.00 0.00 C ATOM 1195 C TYR A 83 7.255 3.119 1.153 1.00 0.00 C ATOM 1196 O TYR A 83 7.596 3.554 2.253 1.00 0.00 O ATOM 1197 CB TYR A 83 8.514 3.755 -0.913 1.00 0.00 C ATOM 1198 CG TYR A 83 8.519 4.473 -2.244 1.00 0.00 C ATOM 1199 CD1 TYR A 83 8.895 5.807 -2.334 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.150 3.816 -3.411 1.00 0.00 C ATOM 1201 CE1 TYR A 83 8.900 6.467 -3.548 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.154 4.467 -4.629 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.529 5.793 -4.692 1.00 0.00 C ATOM 1204 OH TYR A 83 8.535 6.446 -5.904 1.00 0.00 O ATOM 0 H TYR A 83 8.094 5.871 0.432 1.00 0.00 H new ATOM 0 HA TYR A 83 6.378 3.786 -0.680 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.390 4.062 -0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.606 2.683 -1.087 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.188 6.337 -1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.855 2.778 -3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.193 7.505 -3.600 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.865 3.941 -5.527 1.00 0.00 H new ATOM 0 HH TYR A 83 8.249 5.829 -6.609 1.00 0.00 H new ATOM 1214 N PHE A 84 6.867 1.863 0.961 1.00 0.00 N ATOM 1215 CA PHE A 84 6.818 0.902 2.056 1.00 0.00 C ATOM 1216 C PHE A 84 7.080 -0.513 1.550 1.00 0.00 C ATOM 1217 O PHE A 84 6.223 -1.124 0.911 1.00 0.00 O ATOM 1218 CB PHE A 84 5.458 0.962 2.756 1.00 0.00 C ATOM 1219 CG PHE A 84 4.999 2.361 3.053 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.271 3.079 2.118 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.294 2.957 4.268 1.00 0.00 C ATOM 1222 CE1 PHE A 84 3.847 4.366 2.389 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.873 4.245 4.545 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.148 4.949 3.605 1.00 0.00 C ATOM 0 H PHE A 84 6.582 1.487 0.057 1.00 0.00 H new ATOM 0 HA PHE A 84 7.598 1.164 2.771 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.714 0.469 2.130 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.513 0.400 3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.032 2.628 1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.859 2.410 5.008 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.281 4.915 1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.111 4.699 5.495 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.816 5.954 3.820 1.00 0.00 H new ATOM 1234 N SER A 85 8.270 -1.029 1.841 1.00 0.00 N ATOM 1235 CA SER A 85 8.648 -2.370 1.412 1.00 0.00 C ATOM 1236 C SER A 85 8.041 -3.426 2.332 1.00 0.00 C ATOM 1237 O SER A 85 8.505 -3.628 3.454 1.00 0.00 O ATOM 1238 CB SER A 85 10.171 -2.511 1.390 1.00 0.00 C ATOM 1239 OG SER A 85 10.559 -3.870 1.503 1.00 0.00 O ATOM 0 H SER A 85 8.989 -0.538 2.372 1.00 0.00 H new ATOM 0 HA SER A 85 8.261 -2.525 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.565 -2.093 0.464 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.604 -1.936 2.209 1.00 0.00 H new ATOM 0 HG SER A 85 11.537 -3.934 1.485 1.00 0.00 H new ATOM 1245 N VAL A 86 7.000 -4.096 1.848 1.00 0.00 N ATOM 1246 CA VAL A 86 6.330 -5.131 2.625 1.00 0.00 C ATOM 1247 C VAL A 86 6.746 -6.523 2.161 1.00 0.00 C ATOM 1248 O VAL A 86 6.990 -6.746 0.976 1.00 0.00 O ATOM 1249 CB VAL A 86 4.798 -5.006 2.523 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.120 -6.211 3.156 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.325 -3.715 3.175 1.00 0.00 C ATOM 0 H VAL A 86 6.603 -3.940 0.922 1.00 0.00 H new ATOM 0 HA VAL A 86 6.631 -4.992 3.663 1.00 0.00 H new ATOM 0 HB VAL A 86 4.523 -4.977 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.038 -6.105 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.435 -7.118 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.400 -6.275 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.240 -3.643 3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.611 -3.712 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.784 -2.864 2.672 1.00 0.00 H new ATOM 1261 N ASN A 87 6.826 -7.455 3.105 1.00 0.00 N ATOM 1262 CA ASN A 87 7.213 -8.826 2.793 1.00 0.00 C ATOM 1263 C ASN A 87 6.460 -9.818 3.674 1.00 0.00 C ATOM 1264 O ASN A 87 6.763 -9.970 4.857 1.00 0.00 O ATOM 1265 CB ASN A 87 8.721 -9.007 2.978 1.00 0.00 C ATOM 1266 CG ASN A 87 9.297 -10.056 2.046 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.790 -9.737 0.964 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.235 -11.315 2.463 1.00 0.00 N ATOM 0 H ASN A 87 6.628 -7.286 4.091 1.00 0.00 H new ATOM 0 HA ASN A 87 6.955 -9.022 1.752 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.222 -8.055 2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.926 -9.290 4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.605 -12.065 1.879 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.817 -11.533 3.368 1.00 0.00 H new ATOM 1275 N VAL A 88 5.475 -10.493 3.088 1.00 0.00 N ATOM 1276 CA VAL A 88 4.679 -11.472 3.818 1.00 0.00 C ATOM 1277 C VAL A 88 5.158 -12.891 3.534 1.00 0.00 C ATOM 1278 O VAL A 88 5.107 -13.359 2.397 1.00 0.00 O ATOM 1279 CB VAL A 88 3.186 -11.363 3.455 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.353 -12.273 4.345 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.715 -9.921 3.564 1.00 0.00 C ATOM 0 H VAL A 88 5.210 -10.379 2.110 1.00 0.00 H new ATOM 0 HA VAL A 88 4.804 -11.255 4.879 1.00 0.00 H new ATOM 0 HB VAL A 88 3.056 -11.686 2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.301 -12.183 4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.675 -13.306 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.486 -11.983 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.658 -9.863 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.857 -9.568 4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.292 -9.297 2.881 1.00 0.00 H new ATOM 1291 N SER A 89 5.622 -13.573 4.577 1.00 0.00 N ATOM 1292 CA SER A 89 6.113 -14.939 4.439 1.00 0.00 C ATOM 1293 C SER A 89 6.117 -15.653 5.788 1.00 0.00 C ATOM 1294 O SER A 89 6.434 -15.056 6.817 1.00 0.00 O ATOM 1295 CB SER A 89 7.523 -14.939 3.845 1.00 0.00 C ATOM 1296 OG SER A 89 7.836 -16.198 3.275 1.00 0.00 O ATOM 0 H SER A 89 5.668 -13.202 5.526 1.00 0.00 H new ATOM 0 HA SER A 89 5.443 -15.474 3.766 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.600 -14.162 3.084 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.248 -14.698 4.622 1.00 0.00 H new ATOM 0 HG SER A 89 8.741 -16.172 2.901 1.00 0.00 H new ATOM 1302 N ASP A 90 5.763 -16.933 5.773 1.00 0.00 N ATOM 1303 CA ASP A 90 5.726 -17.730 6.994 1.00 0.00 C ATOM 1304 C ASP A 90 7.114 -17.833 7.617 1.00 0.00 C ATOM 1305 O ASP A 90 7.257 -18.219 8.777 1.00 0.00 O ATOM 1306 CB ASP A 90 5.180 -19.128 6.699 1.00 0.00 C ATOM 1307 CG ASP A 90 5.676 -20.163 7.689 1.00 0.00 C ATOM 1308 OD1 ASP A 90 6.898 -20.418 7.719 1.00 0.00 O ATOM 1309 OD2 ASP A 90 4.841 -20.718 8.434 1.00 0.00 O ATOM 0 H ASP A 90 5.498 -17.441 4.929 1.00 0.00 H new ATOM 0 HA ASP A 90 5.065 -17.233 7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.091 -19.102 6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.472 -19.424 5.691 1.00 0.00 H new ATOM 1314 N ALA A 91 8.134 -17.487 6.839 1.00 0.00 N ATOM 1315 CA ALA A 91 9.511 -17.540 7.315 1.00 0.00 C ATOM 1316 C ALA A 91 9.807 -16.386 8.267 1.00 0.00 C ATOM 1317 O ALA A 91 9.948 -15.238 7.842 1.00 0.00 O ATOM 1318 CB ALA A 91 10.477 -17.520 6.140 1.00 0.00 C ATOM 0 H ALA A 91 8.033 -17.167 5.876 1.00 0.00 H new ATOM 0 HA ALA A 91 9.644 -18.472 7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.501 -17.560 6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.289 -18.382 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.334 -16.604 5.567 1.00 0.00 H new ATOM 1324 N LEU A 92 9.901 -16.696 9.555 1.00 0.00 N ATOM 1325 CA LEU A 92 10.180 -15.684 10.567 1.00 0.00 C ATOM 1326 C LEU A 92 11.293 -16.143 11.504 1.00 0.00 C ATOM 1327 O LEU A 92 11.491 -17.337 11.735 1.00 0.00 O ATOM 1328 CB LEU A 92 8.916 -15.376 11.372 1.00 0.00 C ATOM 1329 CG LEU A 92 7.688 -14.963 10.560 1.00 0.00 C ATOM 1330 CD1 LEU A 92 6.421 -15.135 11.383 1.00 0.00 C ATOM 1331 CD2 LEU A 92 7.824 -13.524 10.082 1.00 0.00 C ATOM 0 H LEU A 92 9.788 -17.640 9.923 1.00 0.00 H new ATOM 0 HA LEU A 92 10.509 -14.778 10.058 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.659 -16.258 11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.145 -14.578 12.079 1.00 0.00 H new ATOM 0 HG LEU A 92 7.620 -15.611 9.686 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.558 -14.836 10.789 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.316 -16.180 11.675 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.480 -14.513 12.276 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.941 -13.247 9.506 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.918 -12.862 10.943 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.710 -13.431 9.455 1.00 0.00 H new ATOM 1343 N PRO A 93 12.037 -15.175 12.059 1.00 0.00 N ATOM 1344 CA PRO A 93 13.141 -15.456 12.982 1.00 0.00 C ATOM 1345 C PRO A 93 12.653 -15.986 14.326 1.00 0.00 C ATOM 1346 O PRO A 93 13.448 -16.420 15.159 1.00 0.00 O ATOM 1347 CB PRO A 93 13.813 -14.092 13.157 1.00 0.00 C ATOM 1348 CG PRO A 93 12.737 -13.101 12.873 1.00 0.00 C ATOM 1349 CD PRO A 93 11.858 -13.732 11.829 1.00 0.00 C ATOM 0 HA PRO A 93 13.807 -16.228 12.597 1.00 0.00 H new ATOM 0 HB2 PRO A 93 14.206 -13.971 14.166 1.00 0.00 H new ATOM 0 HB3 PRO A 93 14.652 -13.973 12.471 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.169 -12.872 13.775 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.157 -12.161 12.514 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.817 -13.433 11.946 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.161 -13.445 10.822 1.00 0.00 H new ATOM 1357 N SER A 94 11.340 -15.948 14.530 1.00 0.00 N ATOM 1358 CA SER A 94 10.746 -16.422 15.774 1.00 0.00 C ATOM 1359 C SER A 94 11.495 -17.641 16.305 1.00 0.00 C ATOM 1360 O SER A 94 11.825 -17.714 17.487 1.00 0.00 O ATOM 1361 CB SER A 94 9.271 -16.769 15.561 1.00 0.00 C ATOM 1362 OG SER A 94 8.471 -15.600 15.532 1.00 0.00 O ATOM 0 H SER A 94 10.668 -15.594 13.850 1.00 0.00 H new ATOM 0 HA SER A 94 10.821 -15.622 16.510 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.154 -17.316 14.626 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.930 -17.427 16.360 1.00 0.00 H new ATOM 0 HG SER A 94 7.533 -15.849 15.393 1.00 0.00 H new ATOM 1368 N GLY A 95 11.761 -18.596 15.419 1.00 0.00 N ATOM 1369 CA GLY A 95 12.469 -19.799 15.815 1.00 0.00 C ATOM 1370 C GLY A 95 12.715 -20.737 14.651 1.00 0.00 C ATOM 1371 O GLY A 95 11.876 -20.893 13.763 1.00 0.00 O ATOM 0 H GLY A 95 11.499 -18.558 14.434 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.423 -19.524 16.264 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.895 -20.319 16.582 1.00 0.00 H new ATOM 1375 N PRO A 96 13.892 -21.381 14.643 1.00 0.00 N ATOM 1376 CA PRO A 96 14.274 -22.319 13.583 1.00 0.00 C ATOM 1377 C PRO A 96 13.458 -23.607 13.627 1.00 0.00 C ATOM 1378 O PRO A 96 12.801 -23.903 14.624 1.00 0.00 O ATOM 1379 CB PRO A 96 15.747 -22.609 13.881 1.00 0.00 C ATOM 1380 CG PRO A 96 15.896 -22.357 15.341 1.00 0.00 C ATOM 1381 CD PRO A 96 14.939 -21.244 15.669 1.00 0.00 C ATOM 0 HA PRO A 96 14.099 -21.906 12.590 1.00 0.00 H new ATOM 0 HB2 PRO A 96 16.007 -23.637 13.628 1.00 0.00 H new ATOM 0 HB3 PRO A 96 16.403 -21.962 13.299 1.00 0.00 H new ATOM 0 HG2 PRO A 96 15.665 -23.253 15.917 1.00 0.00 H new ATOM 0 HG3 PRO A 96 16.920 -22.076 15.586 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.532 -21.347 16.675 1.00 0.00 H new ATOM 0 HD3 PRO A 96 15.424 -20.269 15.620 1.00 0.00 H new ATOM 1389 N SER A 97 13.506 -24.369 12.539 1.00 0.00 N ATOM 1390 CA SER A 97 12.768 -25.624 12.452 1.00 0.00 C ATOM 1391 C SER A 97 13.137 -26.384 11.181 1.00 0.00 C ATOM 1392 O SER A 97 13.654 -25.805 10.226 1.00 0.00 O ATOM 1393 CB SER A 97 11.262 -25.358 12.481 1.00 0.00 C ATOM 1394 OG SER A 97 10.779 -25.304 13.813 1.00 0.00 O ATOM 0 H SER A 97 14.048 -24.140 11.706 1.00 0.00 H new ATOM 0 HA SER A 97 13.038 -26.236 13.313 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.046 -24.418 11.974 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.740 -26.143 11.933 1.00 0.00 H new ATOM 0 HG SER A 97 11.406 -24.794 14.368 1.00 0.00 H new ATOM 1400 N SER A 98 12.867 -27.686 11.178 1.00 0.00 N ATOM 1401 CA SER A 98 13.174 -28.527 10.028 1.00 0.00 C ATOM 1402 C SER A 98 11.895 -29.060 9.388 1.00 0.00 C ATOM 1403 O SER A 98 10.835 -29.074 10.012 1.00 0.00 O ATOM 1404 CB SER A 98 14.071 -29.693 10.447 1.00 0.00 C ATOM 1405 OG SER A 98 14.372 -30.528 9.342 1.00 0.00 O ATOM 0 H SER A 98 12.436 -28.181 11.959 1.00 0.00 H new ATOM 0 HA SER A 98 13.701 -27.918 9.294 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.995 -29.308 10.878 1.00 0.00 H new ATOM 0 HB3 SER A 98 13.576 -30.276 11.223 1.00 0.00 H new ATOM 0 HG SER A 98 14.948 -31.265 9.636 1.00 0.00 H new ATOM 1411 N GLY A 99 12.004 -29.497 8.137 1.00 0.00 N ATOM 1412 CA GLY A 99 10.850 -30.024 7.432 1.00 0.00 C ATOM 1413 C GLY A 99 11.224 -30.690 6.123 1.00 0.00 C ATOM 1414 O GLY A 99 11.690 -30.030 5.195 1.00 0.00 O ATOM 0 H GLY A 99 12.871 -29.495 7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 99 10.337 -30.745 8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.147 -29.214 7.236 1.00 0.00 H new TER 1418 GLY A 99