USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1036 hydrogens (44 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 37 SER OG : rot 180:sc= -0.0794 USER MOD Set 1.2: A 39 HIS : no HE2:sc= -1.7 K(o=-1.9,f=-13!) USER MOD Set 1.3: A 501 C2E O2' : rot 130:sc= -0.0699 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0.792 (180deg=0.381) USER MOD Single : A 2 SER OG : rot 71:sc= 1.22 USER MOD Single : A 4 GLN :FLIP amide:sc= -4.73! C(o=-11!,f=-4.7!) USER MOD Single : A 5 HIS :FLIP no HE2:sc= -4.12! C(o=-6!,f=-4.1!) USER MOD Single : A 12 HIS :FLIP no HD1:sc= -1.23 F(o=-3.2!,f=-1.2) USER MOD Single : A 20 SER OG : rot 11:sc= -0.201 USER MOD Single : A 24 GLN : amide:sc= -5.38! C(o=-5.4!,f=-18!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.617 F(o=-3!,f=-0.62) USER MOD Single : A 47 GLN : amide:sc= -0.0182 K(o=-0.018,f=-1.5!) USER MOD Single : A 50 ASN : amide:sc= -2.05! X(o=-2.1!,f=-2.3) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0542 F(o=-0.67,f=-0.054) USER MOD Single : A 62 TYR OH : rot 33:sc= -2.04! USER MOD Single : A 71 MET CE :methyl 173:sc= -0.641 (180deg=-0.913) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0777 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -1.42 F(o=-3.4,f=-1.4) USER MOD Single : A 89 HIS : no HD1:sc= -4.54! C(o=-4.5!,f=-8.5!) USER MOD Single : A 94 SER OG : rot 80:sc= -0.216 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.031) USER MOD Single : A 105 ASN : amide:sc= -0.456 X(o=-0.46,f=-0.63) USER MOD Single : A 121 SER OG : rot -93:sc= 1.26 USER MOD Single : A 123 HIS :FLIP no HD1:sc= -2.5! C(o=-4.8!,f=-2.5!) USER MOD Single : A 501 C2E O2A : rot -32:sc= 0.28 USER MOD Single : A 502 C2E O2' : rot -14:sc= -1.65 USER MOD Single : A 502 C2E O2A : rot -14:sc= 0.207 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 110.849 27.526 8.668 1.00 0.00 N ATOM 2 CA MET A 1 111.475 27.390 7.322 1.00 0.00 C ATOM 3 C MET A 1 111.577 25.911 6.957 1.00 0.00 C ATOM 4 O MET A 1 112.215 25.549 5.969 1.00 0.00 O ATOM 5 CB MET A 1 112.871 28.031 7.339 1.00 0.00 C ATOM 6 CG MET A 1 113.431 28.015 8.762 1.00 0.00 C ATOM 7 SD MET A 1 113.408 26.324 9.402 1.00 0.00 S ATOM 8 CE MET A 1 114.663 26.553 10.687 1.00 0.00 C ATOM 0 H1 MET A 1 110.856 28.526 8.955 1.00 0.00 H new ATOM 0 H2 MET A 1 109.868 27.183 8.631 1.00 0.00 H new ATOM 0 H3 MET A 1 111.386 26.964 9.359 1.00 0.00 H new ATOM 0 HA MET A 1 110.862 27.898 6.577 1.00 0.00 H new ATOM 0 HB2 MET A 1 113.539 27.488 6.670 1.00 0.00 H new ATOM 0 HB3 MET A 1 112.815 29.056 6.972 1.00 0.00 H new ATOM 0 HG2 MET A 1 114.450 28.403 8.767 1.00 0.00 H new ATOM 0 HG3 MET A 1 112.838 28.666 9.405 1.00 0.00 H new ATOM 0 HE1 MET A 1 114.813 25.614 11.221 1.00 0.00 H new ATOM 0 HE2 MET A 1 115.602 26.863 10.228 1.00 0.00 H new ATOM 0 HE3 MET A 1 114.331 27.319 11.387 1.00 0.00 H new ATOM 18 N SER A 2 110.941 25.062 7.761 1.00 0.00 N ATOM 19 CA SER A 2 110.957 23.621 7.517 1.00 0.00 C ATOM 20 C SER A 2 109.539 23.104 7.300 1.00 0.00 C ATOM 21 O SER A 2 109.028 22.316 8.093 1.00 0.00 O ATOM 22 CB SER A 2 111.587 22.899 8.708 1.00 0.00 C ATOM 23 OG SER A 2 110.657 22.869 9.782 1.00 0.00 O ATOM 0 H SER A 2 110.410 25.345 8.584 1.00 0.00 H new ATOM 0 HA SER A 2 111.546 23.426 6.621 1.00 0.00 H new ATOM 0 HB2 SER A 2 111.868 21.884 8.426 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.500 23.409 9.016 1.00 0.00 H new ATOM 0 HG SER A 2 109.927 22.252 9.565 1.00 0.00 H new ATOM 29 N ASP A 3 108.911 23.548 6.213 1.00 0.00 N ATOM 30 CA ASP A 3 107.552 23.115 5.898 1.00 0.00 C ATOM 31 C ASP A 3 107.573 22.000 4.855 1.00 0.00 C ATOM 32 O ASP A 3 106.640 21.860 4.066 1.00 0.00 O ATOM 33 CB ASP A 3 106.726 24.294 5.381 1.00 0.00 C ATOM 34 CG ASP A 3 107.315 24.810 4.073 1.00 0.00 C ATOM 35 OD1 ASP A 3 108.522 24.975 4.013 1.00 0.00 O ATOM 36 OD2 ASP A 3 106.549 25.035 3.149 1.00 0.00 O ATOM 0 H ASP A 3 109.317 24.201 5.542 1.00 0.00 H new ATOM 0 HA ASP A 3 107.094 22.733 6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 3 105.692 23.984 5.227 1.00 0.00 H new ATOM 0 HB3 ASP A 3 106.712 25.092 6.123 1.00 0.00 H new ATOM 41 N GLN A 4 108.646 21.210 4.857 1.00 0.00 N ATOM 42 CA GLN A 4 108.780 20.110 3.903 1.00 0.00 C ATOM 43 C GLN A 4 108.702 18.765 4.614 1.00 0.00 C ATOM 44 O GLN A 4 109.021 17.726 4.035 1.00 0.00 O ATOM 45 CB GLN A 4 110.107 20.221 3.145 1.00 0.00 C ATOM 46 CG GLN A 4 111.248 20.523 4.120 1.00 0.00 C ATOM 47 CD GLN A 4 111.517 19.306 4.993 1.00 0.00 C ATOM 48 OE1 GLN A 4 110.829 19.138 6.085 1.00 0.00 O flip ATOM 49 NE2 GLN A 4 112.378 18.488 4.673 1.00 0.00 N flip ATOM 0 H GLN A 4 109.429 21.310 5.503 1.00 0.00 H new ATOM 0 HA GLN A 4 107.957 20.176 3.192 1.00 0.00 H new ATOM 0 HB2 GLN A 4 110.310 19.291 2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 4 110.041 21.009 2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 4 112.149 20.792 3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 4 110.989 21.379 4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 4 112.916 18.622 3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 4 112.554 17.676 5.264 1.00 0.00 H new ATOM 58 N HIS A 5 108.271 18.794 5.870 1.00 0.00 N ATOM 59 CA HIS A 5 108.146 17.572 6.659 1.00 0.00 C ATOM 60 C HIS A 5 109.392 16.701 6.522 1.00 0.00 C ATOM 61 O HIS A 5 109.568 16.005 5.522 1.00 0.00 O ATOM 62 CB HIS A 5 106.911 16.776 6.215 1.00 0.00 C ATOM 63 CG HIS A 5 106.111 17.579 5.225 1.00 0.00 C ATOM 64 ND1 HIS A 5 106.182 17.688 3.858 1.00 0.00 N flip ATOM 65 CD2 HIS A 5 105.070 18.406 5.616 1.00 0.00 C flip ATOM 66 CE1 HIS A 5 105.203 18.567 3.406 1.00 0.00 C flip ATOM 67 NE2 HIS A 5 104.561 18.971 4.506 1.00 0.00 N flip ATOM 0 H HIS A 5 108.003 19.646 6.363 1.00 0.00 H new ATOM 0 HA HIS A 5 108.035 17.859 7.705 1.00 0.00 H new ATOM 0 HB2 HIS A 5 107.219 15.832 5.766 1.00 0.00 H new ATOM 0 HB3 HIS A 5 106.295 16.532 7.080 1.00 0.00 H new ATOM 0 HD1 HIS A 5 106.851 17.199 3.264 1.00 0.00 H new ATOM 0 HD2 HIS A 5 104.729 18.568 6.628 1.00 0.00 H new ATOM 0 HE1 HIS A 5 105.005 18.860 2.386 1.00 0.00 H new ATOM 75 N ASP A 6 110.245 16.733 7.539 1.00 0.00 N ATOM 76 CA ASP A 6 111.462 15.932 7.524 1.00 0.00 C ATOM 77 C ASP A 6 111.129 14.473 7.226 1.00 0.00 C ATOM 78 O ASP A 6 109.995 14.035 7.419 1.00 0.00 O ATOM 79 CB ASP A 6 112.165 16.032 8.879 1.00 0.00 C ATOM 80 CG ASP A 6 112.340 17.495 9.269 1.00 0.00 C ATOM 81 OD1 ASP A 6 111.434 18.038 9.882 1.00 0.00 O ATOM 82 OD2 ASP A 6 113.378 18.052 8.953 1.00 0.00 O ATOM 0 H ASP A 6 110.118 17.300 8.377 1.00 0.00 H new ATOM 0 HA ASP A 6 112.123 16.311 6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 6 111.583 15.512 9.639 1.00 0.00 H new ATOM 0 HB3 ASP A 6 113.137 15.541 8.831 1.00 0.00 H new ATOM 87 N GLU A 7 112.120 13.724 6.751 1.00 0.00 N ATOM 88 CA GLU A 7 111.914 12.315 6.427 1.00 0.00 C ATOM 89 C GLU A 7 112.248 11.426 7.629 1.00 0.00 C ATOM 90 O GLU A 7 113.259 11.622 8.303 1.00 0.00 O ATOM 91 CB GLU A 7 112.739 11.918 5.201 1.00 0.00 C ATOM 92 CG GLU A 7 114.220 12.253 5.421 1.00 0.00 C ATOM 93 CD GLU A 7 114.522 13.662 4.921 1.00 0.00 C ATOM 94 OE1 GLU A 7 113.649 14.507 5.026 1.00 0.00 O ATOM 95 OE2 GLU A 7 115.624 13.875 4.441 1.00 0.00 O ATOM 0 H GLU A 7 113.066 14.065 6.583 1.00 0.00 H new ATOM 0 HA GLU A 7 110.861 12.168 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 7 112.626 10.851 5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 7 112.368 12.442 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 7 114.464 12.175 6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 7 114.845 11.531 4.896 1.00 0.00 H new ATOM 102 N ARG A 8 111.370 10.461 7.898 1.00 0.00 N ATOM 103 CA ARG A 8 111.543 9.547 9.029 1.00 0.00 C ATOM 104 C ARG A 8 111.572 8.087 8.564 1.00 0.00 C ATOM 105 O ARG A 8 111.859 7.186 9.352 1.00 0.00 O ATOM 106 CB ARG A 8 110.387 9.720 10.025 1.00 0.00 C ATOM 107 CG ARG A 8 110.580 10.991 10.868 1.00 0.00 C ATOM 108 CD ARG A 8 110.080 12.221 10.104 1.00 0.00 C ATOM 109 NE ARG A 8 108.683 12.054 9.706 1.00 0.00 N ATOM 110 CZ ARG A 8 107.808 13.058 9.796 1.00 0.00 C ATOM 111 NH1 ARG A 8 108.178 14.217 10.273 1.00 0.00 N ATOM 112 NH2 ARG A 8 106.580 12.886 9.400 1.00 0.00 N ATOM 0 H ARG A 8 110.529 10.291 7.347 1.00 0.00 H new ATOM 0 HA ARG A 8 112.493 9.788 9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 8 109.441 9.776 9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 8 110.330 8.850 10.679 1.00 0.00 H new ATOM 0 HG2 ARG A 8 110.039 10.896 11.810 1.00 0.00 H new ATOM 0 HG3 ARG A 8 111.634 11.113 11.117 1.00 0.00 H new ATOM 0 HD2 ARG A 8 110.181 13.108 10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 8 110.698 12.381 9.220 1.00 0.00 H new ATOM 0 HE ARG A 8 108.370 11.150 9.352 1.00 0.00 H new ATOM 0 HH11 ARG A 8 109.141 14.359 10.579 1.00 0.00 H new ATOM 0 HH12 ARG A 8 107.504 14.980 10.339 1.00 0.00 H new ATOM 0 HH21 ARG A 8 106.288 11.985 9.022 1.00 0.00 H new ATOM 0 HH22 ARG A 8 105.910 13.652 9.468 1.00 0.00 H new ATOM 126 N ARG A 9 111.277 7.862 7.283 1.00 0.00 N ATOM 127 CA ARG A 9 111.276 6.500 6.731 1.00 0.00 C ATOM 128 C ARG A 9 112.422 6.333 5.742 1.00 0.00 C ATOM 129 O ARG A 9 112.285 6.639 4.558 1.00 0.00 O ATOM 130 CB ARG A 9 109.938 6.179 6.037 1.00 0.00 C ATOM 131 CG ARG A 9 109.322 7.462 5.486 1.00 0.00 C ATOM 132 CD ARG A 9 107.880 7.219 5.039 1.00 0.00 C ATOM 133 NE ARG A 9 107.141 8.488 5.007 1.00 0.00 N ATOM 134 CZ ARG A 9 106.744 9.040 3.860 1.00 0.00 C ATOM 135 NH1 ARG A 9 107.031 8.476 2.720 1.00 0.00 N ATOM 136 NH2 ARG A 9 106.069 10.157 3.881 1.00 0.00 N ATOM 0 H ARG A 9 111.038 8.593 6.613 1.00 0.00 H new ATOM 0 HA ARG A 9 111.408 5.804 7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 9 110.099 5.465 5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 9 109.254 5.711 6.744 1.00 0.00 H new ATOM 0 HG2 ARG A 9 109.345 8.240 6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 9 109.913 7.823 4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 9 107.870 6.758 4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 9 107.392 6.522 5.721 1.00 0.00 H new ATOM 0 HE ARG A 9 106.926 8.959 5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 9 107.563 7.606 2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 9 106.723 8.905 1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 9 105.848 10.603 4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 9 105.763 10.584 3.007 1.00 0.00 H new ATOM 150 N ARG A 10 113.551 5.847 6.254 1.00 0.00 N ATOM 151 CA ARG A 10 114.754 5.628 5.442 1.00 0.00 C ATOM 152 C ARG A 10 114.690 6.395 4.118 1.00 0.00 C ATOM 153 O ARG A 10 115.251 7.484 3.997 1.00 0.00 O ATOM 154 CB ARG A 10 114.965 4.125 5.165 1.00 0.00 C ATOM 155 CG ARG A 10 113.656 3.343 5.362 1.00 0.00 C ATOM 156 CD ARG A 10 113.518 2.914 6.826 1.00 0.00 C ATOM 157 NE ARG A 10 112.124 2.610 7.132 1.00 0.00 N ATOM 158 CZ ARG A 10 111.650 1.369 7.055 1.00 0.00 C ATOM 159 NH1 ARG A 10 112.433 0.385 6.701 1.00 0.00 N ATOM 160 NH2 ARG A 10 110.397 1.136 7.331 1.00 0.00 N ATOM 0 H ARG A 10 113.661 5.594 7.236 1.00 0.00 H new ATOM 0 HA ARG A 10 115.600 6.007 6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 10 115.327 3.986 4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.732 3.732 5.832 1.00 0.00 H new ATOM 0 HG2 ARG A 10 112.806 3.962 5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 10 113.646 2.466 4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 10 114.139 2.039 7.016 1.00 0.00 H new ATOM 0 HD3 ARG A 10 113.877 3.708 7.481 1.00 0.00 H new ATOM 0 HE ARG A 10 111.499 3.366 7.411 1.00 0.00 H new ATOM 0 HH11 ARG A 10 113.413 0.566 6.482 1.00 0.00 H new ATOM 0 HH12 ARG A 10 112.065 -0.564 6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 10 109.784 1.904 7.605 1.00 0.00 H new ATOM 0 HH22 ARG A 10 110.030 0.186 7.273 1.00 0.00 H new ATOM 174 N PHE A 11 114.010 5.818 3.129 1.00 0.00 N ATOM 175 CA PHE A 11 113.887 6.452 1.818 1.00 0.00 C ATOM 176 C PHE A 11 112.417 6.528 1.400 1.00 0.00 C ATOM 177 O PHE A 11 111.586 5.754 1.874 1.00 0.00 O ATOM 178 CB PHE A 11 114.689 5.645 0.785 1.00 0.00 C ATOM 179 CG PHE A 11 115.948 6.396 0.407 1.00 0.00 C ATOM 180 CD1 PHE A 11 117.071 6.346 1.242 1.00 0.00 C ATOM 181 CD2 PHE A 11 115.990 7.138 -0.779 1.00 0.00 C ATOM 182 CE1 PHE A 11 118.235 7.040 0.891 1.00 0.00 C ATOM 183 CE2 PHE A 11 117.155 7.831 -1.130 1.00 0.00 C ATOM 184 CZ PHE A 11 118.277 7.781 -0.295 1.00 0.00 C ATOM 0 H PHE A 11 113.538 4.917 3.210 1.00 0.00 H new ATOM 0 HA PHE A 11 114.283 7.466 1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 11 114.947 4.669 1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 11 114.081 5.468 -0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 11 117.039 5.772 2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 11 115.124 7.176 -1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 11 119.101 7.003 1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 11 117.188 8.404 -2.045 1.00 0.00 H new ATOM 0 HZ PHE A 11 119.176 8.315 -0.566 1.00 0.00 H new ATOM 194 N HIS A 12 112.106 7.467 0.508 1.00 0.00 N ATOM 195 CA HIS A 12 110.735 7.636 0.036 1.00 0.00 C ATOM 196 C HIS A 12 110.161 6.303 -0.435 1.00 0.00 C ATOM 197 O HIS A 12 110.824 5.544 -1.143 1.00 0.00 O ATOM 198 CB HIS A 12 110.691 8.655 -1.107 1.00 0.00 C ATOM 199 CG HIS A 12 111.488 8.148 -2.282 1.00 0.00 C ATOM 200 ND1 HIS A 12 112.459 7.183 -2.389 1.00 0.00 N flip ATOM 201 CD2 HIS A 12 111.324 8.660 -3.560 1.00 0.00 C flip ATOM 202 CE1 HIS A 12 112.891 7.096 -3.710 1.00 0.00 C flip ATOM 203 NE2 HIS A 12 112.175 8.008 -4.373 1.00 0.00 N flip ATOM 0 H HIS A 12 112.779 8.117 0.101 1.00 0.00 H new ATOM 0 HA HIS A 12 110.130 8.003 0.865 1.00 0.00 H new ATOM 0 HB2 HIS A 12 109.658 8.832 -1.407 1.00 0.00 H new ATOM 0 HB3 HIS A 12 111.093 9.610 -0.769 1.00 0.00 H new ATOM 0 HD2 HIS A 12 110.637 9.441 -3.850 1.00 0.00 H new ATOM 0 HE1 HIS A 12 113.643 6.434 -4.112 1.00 0.00 H new ATOM 0 HE2 HIS A 12 112.263 8.188 -5.373 1.00 0.00 H new ATOM 211 N ARG A 13 108.926 6.022 -0.034 1.00 0.00 N ATOM 212 CA ARG A 13 108.275 4.773 -0.417 1.00 0.00 C ATOM 213 C ARG A 13 107.793 4.835 -1.864 1.00 0.00 C ATOM 214 O ARG A 13 107.637 5.914 -2.433 1.00 0.00 O ATOM 215 CB ARG A 13 107.087 4.491 0.514 1.00 0.00 C ATOM 216 CG ARG A 13 107.351 5.120 1.887 1.00 0.00 C ATOM 217 CD ARG A 13 106.428 4.487 2.932 1.00 0.00 C ATOM 218 NE ARG A 13 105.040 4.844 2.659 1.00 0.00 N ATOM 219 CZ ARG A 13 104.509 5.970 3.127 1.00 0.00 C ATOM 220 NH1 ARG A 13 105.222 6.774 3.868 1.00 0.00 N ATOM 221 NH2 ARG A 13 103.272 6.269 2.848 1.00 0.00 N ATOM 0 H ARG A 13 108.359 6.636 0.551 1.00 0.00 H new ATOM 0 HA ARG A 13 109.003 3.967 -0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 13 106.171 4.899 0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 13 106.940 3.416 0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 13 108.393 4.972 2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 13 107.182 6.196 1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 13 106.542 3.403 2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 13 106.709 4.826 3.929 1.00 0.00 H new ATOM 0 HE ARG A 13 104.465 4.217 2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 13 106.190 6.540 4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 13 104.812 7.637 4.225 1.00 0.00 H new ATOM 0 HH21 ARG A 13 102.713 5.640 2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 13 102.863 7.132 3.206 1.00 0.00 H new ATOM 235 N ILE A 14 107.555 3.665 -2.447 1.00 0.00 N ATOM 236 CA ILE A 14 107.085 3.584 -3.825 1.00 0.00 C ATOM 237 C ILE A 14 105.625 4.011 -3.897 1.00 0.00 C ATOM 238 O ILE A 14 104.721 3.216 -3.638 1.00 0.00 O ATOM 239 CB ILE A 14 107.234 2.152 -4.339 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.715 1.840 -4.580 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.462 1.985 -5.653 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.512 2.058 -3.291 1.00 0.00 C ATOM 0 H ILE A 14 107.679 2.762 -1.988 1.00 0.00 H new ATOM 0 HA ILE A 14 107.682 4.250 -4.447 1.00 0.00 H new ATOM 0 HB ILE A 14 106.832 1.466 -3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.828 0.810 -4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 14 109.106 2.479 -5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.573 0.962 -6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.406 2.198 -5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 14 106.857 2.676 -6.397 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.563 1.834 -3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.411 3.095 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 14 109.129 1.400 -2.511 1.00 0.00 H new ATOM 254 N ALA A 15 105.402 5.277 -4.227 1.00 0.00 N ATOM 255 CA ALA A 15 104.044 5.806 -4.302 1.00 0.00 C ATOM 256 C ALA A 15 103.483 5.774 -5.719 1.00 0.00 C ATOM 257 O ALA A 15 104.009 6.414 -6.630 1.00 0.00 O ATOM 258 CB ALA A 15 104.024 7.247 -3.790 1.00 0.00 C ATOM 0 H ALA A 15 106.135 5.952 -4.445 1.00 0.00 H new ATOM 0 HA ALA A 15 103.416 5.167 -3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 15 103.009 7.639 -3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.364 7.270 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.685 7.860 -4.403 1.00 0.00 H new ATOM 264 N PHE A 16 102.375 5.062 -5.867 1.00 0.00 N ATOM 265 CA PHE A 16 101.670 4.971 -7.138 1.00 0.00 C ATOM 266 C PHE A 16 100.187 4.779 -6.850 1.00 0.00 C ATOM 267 O PHE A 16 99.823 4.355 -5.753 1.00 0.00 O ATOM 268 CB PHE A 16 102.217 3.827 -7.999 1.00 0.00 C ATOM 269 CG PHE A 16 101.799 2.491 -7.436 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.494 1.942 -6.357 1.00 0.00 C ATOM 271 CD2 PHE A 16 100.729 1.792 -8.010 1.00 0.00 C ATOM 272 CE1 PHE A 16 102.121 0.695 -5.845 1.00 0.00 C ATOM 273 CE2 PHE A 16 100.359 0.542 -7.500 1.00 0.00 C ATOM 274 CZ PHE A 16 101.055 -0.005 -6.418 1.00 0.00 C ATOM 0 H PHE A 16 101.940 4.532 -5.112 1.00 0.00 H new ATOM 0 HA PHE A 16 101.821 5.890 -7.705 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.852 3.927 -9.021 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.305 3.885 -8.042 1.00 0.00 H new ATOM 0 HD1 PHE A 16 103.320 2.481 -5.917 1.00 0.00 H new ATOM 0 HD2 PHE A 16 100.191 2.217 -8.844 1.00 0.00 H new ATOM 0 HE1 PHE A 16 102.656 0.273 -5.007 1.00 0.00 H new ATOM 0 HE2 PHE A 16 99.536 0.000 -7.942 1.00 0.00 H new ATOM 0 HZ PHE A 16 100.769 -0.969 -6.024 1.00 0.00 H new ATOM 284 N ASP A 17 99.329 5.098 -7.808 1.00 0.00 N ATOM 285 CA ASP A 17 97.894 4.953 -7.585 1.00 0.00 C ATOM 286 C ASP A 17 97.397 3.616 -8.121 1.00 0.00 C ATOM 287 O ASP A 17 97.915 3.100 -9.111 1.00 0.00 O ATOM 288 CB ASP A 17 97.141 6.092 -8.274 1.00 0.00 C ATOM 289 CG ASP A 17 97.716 6.329 -9.666 1.00 0.00 C ATOM 290 OD1 ASP A 17 97.378 5.571 -10.560 1.00 0.00 O ATOM 291 OD2 ASP A 17 98.485 7.263 -9.817 1.00 0.00 O ATOM 0 H ASP A 17 99.591 5.451 -8.728 1.00 0.00 H new ATOM 0 HA ASP A 17 97.709 4.990 -6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 17 96.081 5.847 -8.346 1.00 0.00 H new ATOM 0 HB3 ASP A 17 97.218 7.002 -7.680 1.00 0.00 H new ATOM 296 N ALA A 18 96.387 3.061 -7.459 1.00 0.00 N ATOM 297 CA ALA A 18 95.820 1.785 -7.873 1.00 0.00 C ATOM 298 C ALA A 18 94.693 1.381 -6.928 1.00 0.00 C ATOM 299 O ALA A 18 94.418 2.066 -5.946 1.00 0.00 O ATOM 300 CB ALA A 18 96.903 0.701 -7.886 1.00 0.00 C ATOM 0 H ALA A 18 95.946 3.474 -6.637 1.00 0.00 H new ATOM 0 HA ALA A 18 95.418 1.893 -8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.465 -0.247 -8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.692 0.983 -8.584 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.324 0.595 -6.886 1.00 0.00 H new ATOM 306 N ASP A 19 94.044 0.264 -7.232 1.00 0.00 N ATOM 307 CA ASP A 19 92.946 -0.218 -6.399 1.00 0.00 C ATOM 308 C ASP A 19 93.435 -1.264 -5.405 1.00 0.00 C ATOM 309 O ASP A 19 94.163 -2.187 -5.770 1.00 0.00 O ATOM 310 CB ASP A 19 91.853 -0.825 -7.280 1.00 0.00 C ATOM 311 CG ASP A 19 90.615 -1.128 -6.444 1.00 0.00 C ATOM 312 OD1 ASP A 19 90.116 -0.214 -5.807 1.00 0.00 O ATOM 313 OD2 ASP A 19 90.183 -2.269 -6.452 1.00 0.00 O ATOM 0 H ASP A 19 94.255 -0.321 -8.040 1.00 0.00 H new ATOM 0 HA ASP A 19 92.543 0.629 -5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.598 -0.135 -8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 19 92.218 -1.739 -7.748 1.00 0.00 H new ATOM 318 N SER A 20 93.015 -1.128 -4.149 1.00 0.00 N ATOM 319 CA SER A 20 93.402 -2.084 -3.119 1.00 0.00 C ATOM 320 C SER A 20 92.190 -2.482 -2.281 1.00 0.00 C ATOM 321 O SER A 20 91.234 -1.720 -2.151 1.00 0.00 O ATOM 322 CB SER A 20 94.474 -1.480 -2.217 1.00 0.00 C ATOM 323 OG SER A 20 94.081 -0.168 -1.837 1.00 0.00 O ATOM 0 H SER A 20 92.412 -0.372 -3.824 1.00 0.00 H new ATOM 0 HA SER A 20 93.803 -2.973 -3.606 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.614 -2.101 -1.332 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.430 -1.449 -2.739 1.00 0.00 H new ATOM 0 HG SER A 20 93.145 -0.021 -2.088 1.00 0.00 H new ATOM 329 N GLU A 21 92.245 -3.678 -1.713 1.00 0.00 N ATOM 330 CA GLU A 21 91.160 -4.182 -0.874 1.00 0.00 C ATOM 331 C GLU A 21 91.745 -4.771 0.394 1.00 0.00 C ATOM 332 O GLU A 21 92.784 -5.427 0.354 1.00 0.00 O ATOM 333 CB GLU A 21 90.367 -5.262 -1.616 1.00 0.00 C ATOM 334 CG GLU A 21 89.907 -4.728 -2.972 1.00 0.00 C ATOM 335 CD GLU A 21 89.361 -5.867 -3.824 1.00 0.00 C ATOM 336 OE1 GLU A 21 89.742 -7.000 -3.579 1.00 0.00 O ATOM 337 OE2 GLU A 21 88.569 -5.590 -4.711 1.00 0.00 O ATOM 0 H GLU A 21 93.030 -4.321 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 21 90.489 -3.359 -0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 21 90.985 -6.149 -1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.504 -5.565 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 21 89.138 -3.968 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 21 90.740 -4.247 -3.484 1.00 0.00 H new ATOM 344 N ILE A 22 91.088 -4.533 1.520 1.00 0.00 N ATOM 345 CA ILE A 22 91.588 -5.053 2.788 1.00 0.00 C ATOM 346 C ILE A 22 90.565 -5.982 3.428 1.00 0.00 C ATOM 347 O ILE A 22 89.376 -5.695 3.457 1.00 0.00 O ATOM 348 CB ILE A 22 91.926 -3.884 3.720 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.120 -3.090 3.130 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.260 -4.412 5.122 1.00 0.00 C ATOM 351 CD1 ILE A 22 94.273 -2.986 4.138 1.00 0.00 C ATOM 0 H ILE A 22 90.224 -3.994 1.585 1.00 0.00 H new ATOM 0 HA ILE A 22 92.493 -5.633 2.607 1.00 0.00 H new ATOM 0 HB ILE A 22 91.067 -3.218 3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 22 93.471 -3.579 2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 22 92.790 -2.090 2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.499 -3.575 5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.402 -4.953 5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.117 -5.083 5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 22 95.095 -2.424 3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 22 93.926 -2.474 5.036 1.00 0.00 H new ATOM 0 HD13 ILE A 22 94.618 -3.986 4.401 1.00 0.00 H new ATOM 363 N LEU A 23 91.055 -7.111 3.929 1.00 0.00 N ATOM 364 CA LEU A 23 90.203 -8.112 4.556 1.00 0.00 C ATOM 365 C LEU A 23 90.662 -8.411 5.975 1.00 0.00 C ATOM 366 O LEU A 23 91.804 -8.809 6.204 1.00 0.00 O ATOM 367 CB LEU A 23 90.246 -9.407 3.735 1.00 0.00 C ATOM 368 CG LEU A 23 90.446 -9.070 2.253 1.00 0.00 C ATOM 369 CD1 LEU A 23 91.944 -9.027 1.923 1.00 0.00 C ATOM 370 CD2 LEU A 23 89.772 -10.138 1.385 1.00 0.00 C ATOM 0 H LEU A 23 92.045 -7.356 3.912 1.00 0.00 H new ATOM 0 HA LEU A 23 89.187 -7.719 4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 23 91.057 -10.045 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.320 -9.966 3.870 1.00 0.00 H new ATOM 0 HG LEU A 23 90.001 -8.096 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.077 -8.787 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.429 -8.265 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.391 -9.999 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 23 89.916 -9.895 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.214 -11.111 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.705 -10.168 1.608 1.00 0.00 H new ATOM 382 N GLN A 24 89.750 -8.232 6.915 1.00 0.00 N ATOM 383 CA GLN A 24 90.049 -8.501 8.320 1.00 0.00 C ATOM 384 C GLN A 24 88.972 -9.392 8.921 1.00 0.00 C ATOM 385 O GLN A 24 87.875 -8.927 9.230 1.00 0.00 O ATOM 386 CB GLN A 24 90.111 -7.185 9.100 1.00 0.00 C ATOM 387 CG GLN A 24 90.622 -7.439 10.530 1.00 0.00 C ATOM 388 CD GLN A 24 89.463 -7.411 11.523 1.00 0.00 C ATOM 389 OE1 GLN A 24 88.450 -8.080 11.316 1.00 0.00 O ATOM 390 NE2 GLN A 24 89.552 -6.674 12.596 1.00 0.00 N ATOM 0 H GLN A 24 88.801 -7.904 6.738 1.00 0.00 H new ATOM 0 HA GLN A 24 91.012 -9.007 8.383 1.00 0.00 H new ATOM 0 HB2 GLN A 24 90.770 -6.482 8.590 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.122 -6.727 9.135 1.00 0.00 H new ATOM 0 HG2 GLN A 24 91.126 -8.404 10.577 1.00 0.00 H new ATOM 0 HG3 GLN A 24 91.358 -6.682 10.800 1.00 0.00 H new ATOM 0 HE21 GLN A 24 90.392 -6.120 12.766 1.00 0.00 H new ATOM 0 HE22 GLN A 24 88.782 -6.652 13.265 1.00 0.00 H new ATOM 399 N GLY A 25 89.273 -10.680 9.067 1.00 0.00 N ATOM 400 CA GLY A 25 88.300 -11.617 9.610 1.00 0.00 C ATOM 401 C GLY A 25 87.327 -12.046 8.520 1.00 0.00 C ATOM 402 O GLY A 25 87.735 -12.494 7.449 1.00 0.00 O ATOM 0 H GLY A 25 90.172 -11.093 8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.811 -12.490 10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.756 -11.153 10.433 1.00 0.00 H new ATOM 406 N GLU A 26 86.039 -11.892 8.794 1.00 0.00 N ATOM 407 CA GLU A 26 85.005 -12.249 7.830 1.00 0.00 C ATOM 408 C GLU A 26 84.509 -10.996 7.128 1.00 0.00 C ATOM 409 O GLU A 26 83.462 -11.003 6.480 1.00 0.00 O ATOM 410 CB GLU A 26 83.834 -12.907 8.565 1.00 0.00 C ATOM 411 CG GLU A 26 82.975 -11.835 9.245 1.00 0.00 C ATOM 412 CD GLU A 26 82.082 -12.474 10.302 1.00 0.00 C ATOM 413 OE1 GLU A 26 82.145 -13.684 10.451 1.00 0.00 O ATOM 414 OE2 GLU A 26 81.346 -11.746 10.947 1.00 0.00 O ATOM 0 H GLU A 26 85.684 -11.522 9.676 1.00 0.00 H new ATOM 0 HA GLU A 26 85.418 -12.941 7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 26 83.228 -13.479 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.209 -13.610 9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 26 83.615 -11.082 9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 26 82.364 -11.322 8.502 1.00 0.00 H new ATOM 421 N ARG A 27 85.236 -9.905 7.322 1.00 0.00 N ATOM 422 CA ARG A 27 84.836 -8.621 6.774 1.00 0.00 C ATOM 423 C ARG A 27 85.811 -8.104 5.717 1.00 0.00 C ATOM 424 O ARG A 27 87.025 -8.112 5.918 1.00 0.00 O ATOM 425 CB ARG A 27 84.764 -7.646 7.942 1.00 0.00 C ATOM 426 CG ARG A 27 84.172 -8.398 9.142 1.00 0.00 C ATOM 427 CD ARG A 27 83.681 -7.422 10.209 1.00 0.00 C ATOM 428 NE ARG A 27 84.297 -7.730 11.496 1.00 0.00 N ATOM 429 CZ ARG A 27 85.586 -7.496 11.716 1.00 0.00 C ATOM 430 NH1 ARG A 27 86.326 -6.981 10.774 1.00 0.00 N ATOM 431 NH2 ARG A 27 86.111 -7.780 12.876 1.00 0.00 N ATOM 0 H ARG A 27 86.105 -9.885 7.855 1.00 0.00 H new ATOM 0 HA ARG A 27 83.874 -8.726 6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.756 -7.263 8.182 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.144 -6.787 7.685 1.00 0.00 H new ATOM 0 HG2 ARG A 27 83.345 -9.027 8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 27 84.925 -9.061 9.569 1.00 0.00 H new ATOM 0 HD2 ARG A 27 83.924 -6.400 9.917 1.00 0.00 H new ATOM 0 HD3 ARG A 27 82.596 -7.480 10.294 1.00 0.00 H new ATOM 0 HE ARG A 27 83.727 -8.132 12.240 1.00 0.00 H new ATOM 0 HH11 ARG A 27 85.915 -6.758 9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 27 87.316 -6.802 10.944 1.00 0.00 H new ATOM 0 HH21 ARG A 27 85.532 -8.181 13.613 1.00 0.00 H new ATOM 0 HH22 ARG A 27 87.101 -7.601 13.046 1.00 0.00 H new ATOM 445 N ARG A 28 85.261 -7.648 4.593 1.00 0.00 N ATOM 446 CA ARG A 28 86.073 -7.114 3.499 1.00 0.00 C ATOM 447 C ARG A 28 85.568 -5.742 3.088 1.00 0.00 C ATOM 448 O ARG A 28 84.394 -5.416 3.261 1.00 0.00 O ATOM 449 CB ARG A 28 86.027 -8.055 2.288 1.00 0.00 C ATOM 450 CG ARG A 28 86.497 -7.305 1.032 1.00 0.00 C ATOM 451 CD ARG A 28 86.860 -8.304 -0.068 1.00 0.00 C ATOM 452 NE ARG A 28 87.063 -7.608 -1.334 1.00 0.00 N ATOM 453 CZ ARG A 28 86.032 -7.239 -2.088 1.00 0.00 C ATOM 454 NH1 ARG A 28 84.813 -7.499 -1.699 1.00 0.00 N ATOM 455 NH2 ARG A 28 86.237 -6.616 -3.216 1.00 0.00 N ATOM 0 H ARG A 28 84.257 -7.637 4.415 1.00 0.00 H new ATOM 0 HA ARG A 28 87.102 -7.030 3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.663 -8.922 2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 28 85.013 -8.428 2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 28 85.711 -6.636 0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.361 -6.684 1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 28 87.765 -8.846 0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 28 86.066 -9.043 -0.174 1.00 0.00 H new ATOM 0 HE ARG A 28 88.012 -7.401 -1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 28 84.652 -7.985 -0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 28 84.022 -7.216 -2.277 1.00 0.00 H new ATOM 0 HH21 ARG A 28 87.189 -6.412 -3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 28 85.445 -6.333 -3.794 1.00 0.00 H new ATOM 469 N TRP A 29 86.476 -4.943 2.553 1.00 0.00 N ATOM 470 CA TRP A 29 86.148 -3.598 2.123 1.00 0.00 C ATOM 471 C TRP A 29 87.041 -3.176 0.963 1.00 0.00 C ATOM 472 O TRP A 29 88.143 -3.698 0.793 1.00 0.00 O ATOM 473 CB TRP A 29 86.360 -2.644 3.288 1.00 0.00 C ATOM 474 CG TRP A 29 85.538 -3.078 4.452 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.190 -3.019 4.520 1.00 0.00 C ATOM 476 CD2 TRP A 29 85.992 -3.633 5.714 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.785 -3.497 5.754 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.864 -3.888 6.528 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.265 -3.935 6.228 1.00 0.00 C ATOM 480 CZ2 TRP A 29 84.995 -4.423 7.809 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.403 -4.475 7.514 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.270 -4.717 8.305 1.00 0.00 C ATOM 0 H TRP A 29 87.450 -5.206 2.406 1.00 0.00 H new ATOM 0 HA TRP A 29 85.109 -3.572 1.794 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.414 -2.621 3.564 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.085 -1.631 2.995 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.536 -2.658 3.740 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.812 -3.554 6.056 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.143 -3.750 5.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.120 -4.609 8.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.386 -4.706 7.898 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.382 -5.130 9.297 1.00 0.00 H new ATOM 493 N GLU A 30 86.565 -2.220 0.173 1.00 0.00 N ATOM 494 CA GLU A 30 87.333 -1.725 -0.962 1.00 0.00 C ATOM 495 C GLU A 30 87.998 -0.403 -0.595 1.00 0.00 C ATOM 496 O GLU A 30 87.386 0.437 0.064 1.00 0.00 O ATOM 497 CB GLU A 30 86.406 -1.514 -2.160 1.00 0.00 C ATOM 498 CG GLU A 30 85.893 -2.871 -2.651 1.00 0.00 C ATOM 499 CD GLU A 30 85.001 -3.506 -1.591 1.00 0.00 C ATOM 500 OE1 GLU A 30 83.901 -3.013 -1.396 1.00 0.00 O ATOM 501 OE2 GLU A 30 85.428 -4.478 -0.989 1.00 0.00 O ATOM 0 H GLU A 30 85.656 -1.775 0.297 1.00 0.00 H new ATOM 0 HA GLU A 30 88.099 -2.456 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 30 85.568 -0.876 -1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 30 86.940 -1.003 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 30 85.335 -2.744 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 30 86.734 -3.529 -2.872 1.00 0.00 H new ATOM 508 N VAL A 31 89.248 -0.216 -1.000 1.00 0.00 N ATOM 509 CA VAL A 31 89.959 1.015 -0.675 1.00 0.00 C ATOM 510 C VAL A 31 90.952 1.387 -1.768 1.00 0.00 C ATOM 511 O VAL A 31 91.393 0.540 -2.545 1.00 0.00 O ATOM 512 CB VAL A 31 90.715 0.843 0.645 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.718 0.722 1.795 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.572 -0.423 0.581 1.00 0.00 C ATOM 0 H VAL A 31 89.785 -0.890 -1.546 1.00 0.00 H new ATOM 0 HA VAL A 31 89.222 1.813 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 31 91.355 1.710 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.258 0.600 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.107 1.623 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.076 -0.143 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.110 -0.546 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 31 90.931 -1.288 0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.286 -0.338 -0.238 1.00 0.00 H new ATOM 524 N LEU A 32 91.314 2.664 -1.797 1.00 0.00 N ATOM 525 CA LEU A 32 92.276 3.169 -2.765 1.00 0.00 C ATOM 526 C LEU A 32 93.649 3.204 -2.105 1.00 0.00 C ATOM 527 O LEU A 32 93.805 3.761 -1.017 1.00 0.00 O ATOM 528 CB LEU A 32 91.858 4.583 -3.208 1.00 0.00 C ATOM 529 CG LEU A 32 93.032 5.323 -3.868 1.00 0.00 C ATOM 530 CD1 LEU A 32 93.452 4.609 -5.161 1.00 0.00 C ATOM 531 CD2 LEU A 32 92.601 6.758 -4.190 1.00 0.00 C ATOM 0 H LEU A 32 90.953 3.371 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 32 92.310 2.525 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 32 91.025 4.517 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 32 91.506 5.149 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 32 93.880 5.334 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 32 94.284 5.144 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 32 93.759 3.589 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 32 92.611 4.587 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 32 93.429 7.290 -4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 32 91.750 6.738 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 32 92.317 7.268 -3.269 1.00 0.00 H new ATOM 543 N LEU A 33 94.644 2.611 -2.754 1.00 0.00 N ATOM 544 CA LEU A 33 95.987 2.597 -2.191 1.00 0.00 C ATOM 545 C LEU A 33 96.769 3.802 -2.680 1.00 0.00 C ATOM 546 O LEU A 33 96.868 4.055 -3.882 1.00 0.00 O ATOM 547 CB LEU A 33 96.713 1.297 -2.569 1.00 0.00 C ATOM 548 CG LEU A 33 98.225 1.400 -2.261 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.629 0.304 -1.272 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.024 1.224 -3.557 1.00 0.00 C ATOM 0 H LEU A 33 94.549 2.142 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 33 95.912 2.645 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.282 0.461 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.567 1.089 -3.629 1.00 0.00 H new ATOM 0 HG LEU A 33 98.435 2.378 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.695 0.381 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.064 0.422 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.416 -0.673 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.090 1.297 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.807 0.247 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.744 2.003 -4.266 1.00 0.00 H new ATOM 562 N HIS A 34 97.302 4.552 -1.732 1.00 0.00 N ATOM 563 CA HIS A 34 98.056 5.752 -2.051 1.00 0.00 C ATOM 564 C HIS A 34 99.552 5.462 -2.189 1.00 0.00 C ATOM 565 O HIS A 34 100.231 6.139 -2.961 1.00 0.00 O ATOM 566 CB HIS A 34 97.792 6.805 -0.983 1.00 0.00 C ATOM 567 CG HIS A 34 96.418 7.384 -1.181 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.197 8.536 -1.918 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.180 6.976 -0.745 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.874 8.779 -1.904 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.208 7.858 -1.203 1.00 0.00 N ATOM 0 H HIS A 34 97.227 4.352 -0.735 1.00 0.00 H new ATOM 0 HA HIS A 34 97.724 6.129 -3.018 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.872 6.361 0.009 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.543 7.593 -1.040 1.00 0.00 H new ATOM 0 HD2 HIS A 34 94.991 6.103 -0.139 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.407 9.617 -2.400 1.00 0.00 H new ATOM 0 HE2 HIS A 34 93.202 7.812 -1.039 1.00 0.00 H new ATOM 579 N ASP A 35 100.067 4.448 -1.500 1.00 0.00 N ATOM 580 CA ASP A 35 101.489 4.119 -1.656 1.00 0.00 C ATOM 581 C ASP A 35 101.851 2.842 -0.907 1.00 0.00 C ATOM 582 O ASP A 35 101.111 2.381 -0.038 1.00 0.00 O ATOM 583 CB ASP A 35 102.376 5.276 -1.187 1.00 0.00 C ATOM 584 CG ASP A 35 102.292 5.403 0.329 1.00 0.00 C ATOM 585 OD1 ASP A 35 103.072 4.748 1.000 1.00 0.00 O ATOM 586 OD2 ASP A 35 101.449 6.151 0.795 1.00 0.00 O ATOM 0 H ASP A 35 99.548 3.857 -0.851 1.00 0.00 H new ATOM 0 HA ASP A 35 101.668 3.952 -2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.408 5.102 -1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 35 102.057 6.206 -1.658 1.00 0.00 H new ATOM 591 N VAL A 36 102.997 2.266 -1.272 1.00 0.00 N ATOM 592 CA VAL A 36 103.459 1.028 -0.655 1.00 0.00 C ATOM 593 C VAL A 36 104.981 1.006 -0.540 1.00 0.00 C ATOM 594 O VAL A 36 105.677 1.830 -1.134 1.00 0.00 O ATOM 595 CB VAL A 36 102.980 -0.174 -1.487 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.893 -0.362 -2.701 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.011 -1.451 -0.645 1.00 0.00 C ATOM 0 H VAL A 36 103.619 2.638 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 36 103.042 0.968 0.350 1.00 0.00 H new ATOM 0 HB VAL A 36 101.959 0.020 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.549 -1.215 -3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.867 0.536 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.914 -0.542 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.669 -2.293 -1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.030 -1.638 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.356 -1.334 0.218 1.00 0.00 H new ATOM 607 N SER A 37 105.482 0.031 0.213 1.00 0.00 N ATOM 608 CA SER A 37 106.913 -0.157 0.410 1.00 0.00 C ATOM 609 C SER A 37 107.194 -1.652 0.405 1.00 0.00 C ATOM 610 O SER A 37 106.260 -2.454 0.440 1.00 0.00 O ATOM 611 CB SER A 37 107.358 0.444 1.743 1.00 0.00 C ATOM 612 OG SER A 37 108.772 0.345 1.852 1.00 0.00 O ATOM 0 H SER A 37 104.905 -0.652 0.704 1.00 0.00 H new ATOM 0 HA SER A 37 107.463 0.343 -0.387 1.00 0.00 H new ATOM 0 HB2 SER A 37 107.049 1.487 1.806 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.880 -0.081 2.570 1.00 0.00 H new ATOM 0 HG SER A 37 109.062 0.731 2.705 1.00 0.00 H new ATOM 618 N LEU A 38 108.457 -2.042 0.353 1.00 0.00 N ATOM 619 CA LEU A 38 108.766 -3.463 0.330 1.00 0.00 C ATOM 620 C LEU A 38 108.330 -4.119 1.636 1.00 0.00 C ATOM 621 O LEU A 38 108.507 -5.322 1.825 1.00 0.00 O ATOM 622 CB LEU A 38 110.260 -3.696 0.096 1.00 0.00 C ATOM 623 CG LEU A 38 110.653 -3.194 -1.299 1.00 0.00 C ATOM 624 CD1 LEU A 38 110.778 -1.665 -1.292 1.00 0.00 C ATOM 625 CD2 LEU A 38 111.997 -3.812 -1.697 1.00 0.00 C ATOM 0 H LEU A 38 109.263 -1.417 0.327 1.00 0.00 H new ATOM 0 HA LEU A 38 108.217 -3.916 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.842 -3.176 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.491 -4.757 0.189 1.00 0.00 H new ATOM 0 HG LEU A 38 109.884 -3.485 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 38 111.057 -1.318 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 38 109.823 -1.223 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 38 111.543 -1.366 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 38 112.281 -3.458 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 38 112.760 -3.520 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 38 111.908 -4.898 -1.711 1.00 0.00 H new ATOM 637 N HIS A 39 107.761 -3.324 2.539 1.00 0.00 N ATOM 638 CA HIS A 39 107.310 -3.857 3.819 1.00 0.00 C ATOM 639 C HIS A 39 106.341 -2.898 4.519 1.00 0.00 C ATOM 640 O HIS A 39 106.447 -2.677 5.725 1.00 0.00 O ATOM 641 CB HIS A 39 108.515 -4.107 4.727 1.00 0.00 C ATOM 642 CG HIS A 39 109.340 -2.852 4.825 1.00 0.00 C ATOM 643 ND1 HIS A 39 110.120 -2.397 3.774 1.00 0.00 N ATOM 644 CD2 HIS A 39 109.514 -1.944 5.841 1.00 0.00 C ATOM 645 CE1 HIS A 39 110.723 -1.264 4.176 1.00 0.00 C ATOM 646 NE2 HIS A 39 110.388 -0.941 5.428 1.00 0.00 N ATOM 0 H HIS A 39 107.604 -2.324 2.411 1.00 0.00 H new ATOM 0 HA HIS A 39 106.785 -4.792 3.624 1.00 0.00 H new ATOM 0 HB2 HIS A 39 108.180 -4.412 5.718 1.00 0.00 H new ATOM 0 HB3 HIS A 39 109.120 -4.922 4.330 1.00 0.00 H new ATOM 0 HD1 HIS A 39 110.219 -2.841 2.861 1.00 0.00 H new ATOM 0 HD2 HIS A 39 109.045 -1.999 6.812 1.00 0.00 H new ATOM 0 HE1 HIS A 39 111.396 -0.685 3.561 1.00 0.00 H new ATOM 654 N GLY A 40 105.396 -2.336 3.767 1.00 0.00 N ATOM 655 CA GLY A 40 104.425 -1.411 4.354 1.00 0.00 C ATOM 656 C GLY A 40 103.458 -0.869 3.300 1.00 0.00 C ATOM 657 O GLY A 40 103.752 -0.897 2.110 1.00 0.00 O ATOM 0 H GLY A 40 105.281 -2.500 2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 40 103.863 -1.920 5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 40 104.951 -0.582 4.827 1.00 0.00 H new ATOM 661 N ILE A 41 102.290 -0.398 3.747 1.00 0.00 N ATOM 662 CA ILE A 41 101.273 0.122 2.828 1.00 0.00 C ATOM 663 C ILE A 41 100.433 1.227 3.477 1.00 0.00 C ATOM 664 O ILE A 41 100.187 1.220 4.683 1.00 0.00 O ATOM 665 CB ILE A 41 100.359 -1.035 2.362 1.00 0.00 C ATOM 666 CG1 ILE A 41 98.874 -0.642 2.464 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.608 -2.268 3.229 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.003 -1.729 1.822 1.00 0.00 C ATOM 0 H ILE A 41 102.026 -0.366 4.732 1.00 0.00 H new ATOM 0 HA ILE A 41 101.783 0.559 1.970 1.00 0.00 H new ATOM 0 HB ILE A 41 100.594 -1.254 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.595 -0.510 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.706 0.313 1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 41 99.963 -3.082 2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.651 -2.572 3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.389 -2.031 4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 41 96.953 -1.446 1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.275 -1.840 0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.161 -2.675 2.340 1.00 0.00 H new ATOM 680 N LEU A 42 99.977 2.157 2.633 1.00 0.00 N ATOM 681 CA LEU A 42 99.129 3.267 3.067 1.00 0.00 C ATOM 682 C LEU A 42 97.822 3.212 2.281 1.00 0.00 C ATOM 683 O LEU A 42 97.843 3.133 1.053 1.00 0.00 O ATOM 684 CB LEU A 42 99.831 4.613 2.800 1.00 0.00 C ATOM 685 CG LEU A 42 99.544 5.599 3.942 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.421 6.847 3.788 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.076 6.020 3.908 1.00 0.00 C ATOM 0 H LEU A 42 100.185 2.161 1.634 1.00 0.00 H new ATOM 0 HA LEU A 42 98.935 3.182 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.906 4.458 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.485 5.030 1.854 1.00 0.00 H new ATOM 0 HG LEU A 42 99.765 5.109 4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.212 7.541 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.472 6.559 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.204 7.329 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 42 97.879 6.719 4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 42 97.857 6.501 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.443 5.141 4.025 1.00 0.00 H new ATOM 699 N VAL A 43 96.692 3.233 2.975 1.00 0.00 N ATOM 700 CA VAL A 43 95.401 3.162 2.293 1.00 0.00 C ATOM 701 C VAL A 43 94.449 4.248 2.782 1.00 0.00 C ATOM 702 O VAL A 43 94.738 4.969 3.735 1.00 0.00 O ATOM 703 CB VAL A 43 94.766 1.791 2.525 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.713 0.695 2.033 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.501 1.602 4.019 1.00 0.00 C ATOM 0 H VAL A 43 96.639 3.297 3.992 1.00 0.00 H new ATOM 0 HA VAL A 43 95.579 3.316 1.229 1.00 0.00 H new ATOM 0 HB VAL A 43 93.827 1.729 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.258 -0.281 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.903 0.830 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.654 0.755 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.048 0.625 4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.442 1.665 4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.824 2.381 4.370 1.00 0.00 H new ATOM 715 N GLY A 44 93.292 4.319 2.132 1.00 0.00 N ATOM 716 CA GLY A 44 92.254 5.283 2.511 1.00 0.00 C ATOM 717 C GLY A 44 91.235 4.593 3.414 1.00 0.00 C ATOM 718 O GLY A 44 90.957 3.408 3.231 1.00 0.00 O ATOM 0 H GLY A 44 93.046 3.724 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.701 6.132 3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.762 5.675 1.621 1.00 0.00 H new ATOM 722 N GLN A 45 90.691 5.306 4.406 1.00 0.00 N ATOM 723 CA GLN A 45 89.730 4.694 5.325 1.00 0.00 C ATOM 724 C GLN A 45 88.306 4.740 4.768 1.00 0.00 C ATOM 725 O GLN A 45 87.745 5.825 4.612 1.00 0.00 O ATOM 726 CB GLN A 45 89.749 5.465 6.648 1.00 0.00 C ATOM 727 CG GLN A 45 88.866 4.747 7.685 1.00 0.00 C ATOM 728 CD GLN A 45 87.612 5.569 7.972 1.00 0.00 C ATOM 729 OE1 GLN A 45 86.740 5.768 7.022 1.00 0.00 O flip ATOM 730 NE2 GLN A 45 87.422 6.043 9.092 1.00 0.00 N flip ATOM 0 H GLN A 45 90.895 6.288 4.590 1.00 0.00 H new ATOM 0 HA GLN A 45 90.017 3.652 5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 45 90.771 5.543 7.019 1.00 0.00 H new ATOM 0 HB3 GLN A 45 89.388 6.482 6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 45 88.586 3.761 7.314 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.427 4.593 8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 45 88.104 5.887 9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 45 86.582 6.592 9.278 1.00 0.00 H new ATOM 739 N PRO A 46 87.694 3.620 4.485 1.00 0.00 N ATOM 740 CA PRO A 46 86.303 3.601 3.964 1.00 0.00 C ATOM 741 C PRO A 46 85.282 3.642 5.105 1.00 0.00 C ATOM 742 O PRO A 46 85.611 3.348 6.255 1.00 0.00 O ATOM 743 CB PRO A 46 86.246 2.286 3.199 1.00 0.00 C ATOM 744 CG PRO A 46 87.149 1.373 3.975 1.00 0.00 C ATOM 745 CD PRO A 46 88.236 2.262 4.607 1.00 0.00 C ATOM 0 HA PRO A 46 86.060 4.463 3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.229 1.896 3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.589 2.407 2.171 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.591 0.838 4.743 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.594 0.622 3.322 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.415 1.995 5.649 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.187 2.163 4.084 1.00 0.00 H new ATOM 753 N GLN A 47 84.052 4.025 4.783 1.00 0.00 N ATOM 754 CA GLN A 47 82.994 4.123 5.787 1.00 0.00 C ATOM 755 C GLN A 47 82.631 2.757 6.378 1.00 0.00 C ATOM 756 O GLN A 47 82.205 2.666 7.529 1.00 0.00 O ATOM 757 CB GLN A 47 81.751 4.752 5.158 1.00 0.00 C ATOM 758 CG GLN A 47 81.243 3.862 4.023 1.00 0.00 C ATOM 759 CD GLN A 47 80.308 4.654 3.117 1.00 0.00 C ATOM 760 OE1 GLN A 47 79.954 5.791 3.430 1.00 0.00 O ATOM 761 NE2 GLN A 47 79.886 4.120 2.004 1.00 0.00 N ATOM 0 H GLN A 47 83.761 4.273 3.837 1.00 0.00 H new ATOM 0 HA GLN A 47 83.366 4.747 6.600 1.00 0.00 H new ATOM 0 HB2 GLN A 47 80.973 4.877 5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 47 81.987 5.745 4.777 1.00 0.00 H new ATOM 0 HG2 GLN A 47 82.085 3.480 3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 47 80.720 2.999 4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 47 80.180 3.178 1.747 1.00 0.00 H new ATOM 0 HE22 GLN A 47 79.262 4.645 1.391 1.00 0.00 H new ATOM 770 N ASP A 48 82.773 1.702 5.580 1.00 0.00 N ATOM 771 CA ASP A 48 82.428 0.353 6.034 1.00 0.00 C ATOM 772 C ASP A 48 83.538 -0.265 6.887 1.00 0.00 C ATOM 773 O ASP A 48 83.489 -1.452 7.211 1.00 0.00 O ATOM 774 CB ASP A 48 82.157 -0.543 4.825 1.00 0.00 C ATOM 775 CG ASP A 48 80.856 -0.128 4.146 1.00 0.00 C ATOM 776 OD1 ASP A 48 79.818 -0.245 4.778 1.00 0.00 O ATOM 777 OD2 ASP A 48 80.916 0.301 3.006 1.00 0.00 O ATOM 0 H ASP A 48 83.122 1.751 4.623 1.00 0.00 H new ATOM 0 HA ASP A 48 81.535 0.431 6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 48 82.984 -0.473 4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.095 -1.584 5.141 1.00 0.00 H new ATOM 782 N TRP A 49 84.538 0.535 7.234 1.00 0.00 N ATOM 783 CA TRP A 49 85.660 0.046 8.038 1.00 0.00 C ATOM 784 C TRP A 49 85.207 -0.479 9.394 1.00 0.00 C ATOM 785 O TRP A 49 85.555 0.091 10.425 1.00 0.00 O ATOM 786 CB TRP A 49 86.659 1.174 8.272 1.00 0.00 C ATOM 787 CG TRP A 49 87.912 0.624 8.879 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.203 0.617 10.198 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.030 0.007 8.206 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.455 0.039 10.381 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.012 -0.345 9.168 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.280 -0.268 6.854 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.213 -0.955 8.771 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.472 -0.877 6.462 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.434 -1.212 7.414 1.00 0.00 C ATOM 0 H TRP A 49 84.599 1.520 6.975 1.00 0.00 H new ATOM 0 HA TRP A 49 86.118 -0.772 7.483 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.888 1.670 7.329 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.225 1.926 8.931 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.567 0.998 10.983 1.00 0.00 H new ATOM 0 HE1 TRP A 49 89.905 -0.086 11.288 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.543 -0.006 6.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 91.958 -1.223 9.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.650 -1.090 5.418 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.358 -1.674 7.101 1.00 0.00 H new ATOM 806 N ASN A 50 84.458 -1.575 9.407 1.00 0.00 N ATOM 807 CA ASN A 50 84.022 -2.147 10.679 1.00 0.00 C ATOM 808 C ASN A 50 85.016 -3.216 11.126 1.00 0.00 C ATOM 809 O ASN A 50 84.777 -4.412 10.958 1.00 0.00 O ATOM 810 CB ASN A 50 82.615 -2.739 10.563 1.00 0.00 C ATOM 811 CG ASN A 50 82.186 -3.330 11.902 1.00 0.00 C ATOM 812 OD1 ASN A 50 81.156 -2.940 12.452 1.00 0.00 O ATOM 813 ND2 ASN A 50 82.918 -4.255 12.463 1.00 0.00 N ATOM 0 H ASN A 50 84.145 -2.076 8.576 1.00 0.00 H new ATOM 0 HA ASN A 50 83.987 -1.353 11.425 1.00 0.00 H new ATOM 0 HB2 ASN A 50 81.911 -1.966 10.255 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.598 -3.511 9.793 1.00 0.00 H new ATOM 0 HD21 ASN A 50 82.636 -4.655 13.358 1.00 0.00 H new ATOM 0 HD22 ASN A 50 83.771 -4.577 12.006 1.00 0.00 H new ATOM 820 N GLY A 51 86.139 -2.771 11.686 1.00 0.00 N ATOM 821 CA GLY A 51 87.177 -3.691 12.146 1.00 0.00 C ATOM 822 C GLY A 51 87.840 -3.178 13.417 1.00 0.00 C ATOM 823 O GLY A 51 87.761 -1.993 13.739 1.00 0.00 O ATOM 0 H GLY A 51 86.353 -1.784 11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.741 -4.673 12.330 1.00 0.00 H new ATOM 0 HA3 GLY A 51 87.928 -3.817 11.366 1.00 0.00 H new ATOM 827 N ASP A 52 88.486 -4.090 14.137 1.00 0.00 N ATOM 828 CA ASP A 52 89.165 -3.747 15.382 1.00 0.00 C ATOM 829 C ASP A 52 90.652 -3.466 15.129 1.00 0.00 C ATOM 830 O ASP A 52 91.417 -4.387 14.842 1.00 0.00 O ATOM 831 CB ASP A 52 89.028 -4.911 16.366 1.00 0.00 C ATOM 832 CG ASP A 52 87.678 -4.844 17.075 1.00 0.00 C ATOM 833 OD1 ASP A 52 86.747 -4.320 16.485 1.00 0.00 O ATOM 834 OD2 ASP A 52 87.596 -5.317 18.196 1.00 0.00 O ATOM 0 H ASP A 52 88.554 -5.074 13.879 1.00 0.00 H new ATOM 0 HA ASP A 52 88.707 -2.849 15.797 1.00 0.00 H new ATOM 0 HB2 ASP A 52 89.122 -5.859 15.835 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.834 -4.875 17.099 1.00 0.00 H new ATOM 839 N PRO A 53 91.077 -2.227 15.231 1.00 0.00 N ATOM 840 CA PRO A 53 92.505 -1.850 15.008 1.00 0.00 C ATOM 841 C PRO A 53 93.470 -2.743 15.772 1.00 0.00 C ATOM 842 O PRO A 53 94.645 -2.845 15.418 1.00 0.00 O ATOM 843 CB PRO A 53 92.589 -0.401 15.500 1.00 0.00 C ATOM 844 CG PRO A 53 91.201 0.137 15.388 1.00 0.00 C ATOM 845 CD PRO A 53 90.253 -1.051 15.565 1.00 0.00 C ATOM 0 HA PRO A 53 92.792 -1.964 13.963 1.00 0.00 H new ATOM 0 HB2 PRO A 53 92.946 -0.356 16.529 1.00 0.00 H new ATOM 0 HB3 PRO A 53 93.285 0.180 14.895 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.017 0.895 16.149 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.048 0.614 14.420 1.00 0.00 H new ATOM 0 HD2 PRO A 53 89.873 -1.108 16.585 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.388 -0.971 14.907 1.00 0.00 H new ATOM 853 N GLN A 54 92.980 -3.373 16.829 1.00 0.00 N ATOM 854 CA GLN A 54 93.830 -4.234 17.634 1.00 0.00 C ATOM 855 C GLN A 54 94.093 -5.567 16.937 1.00 0.00 C ATOM 856 O GLN A 54 95.096 -6.227 17.210 1.00 0.00 O ATOM 857 CB GLN A 54 93.185 -4.484 18.998 1.00 0.00 C ATOM 858 CG GLN A 54 92.706 -3.156 19.588 1.00 0.00 C ATOM 859 CD GLN A 54 92.426 -3.319 21.078 1.00 0.00 C ATOM 860 OE1 GLN A 54 93.264 -3.988 21.820 1.00 0.00 O flip ATOM 861 NE2 GLN A 54 91.419 -2.820 21.579 1.00 0.00 N flip ATOM 0 H GLN A 54 92.013 -3.306 17.145 1.00 0.00 H new ATOM 0 HA GLN A 54 94.785 -3.726 17.770 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.346 -5.172 18.895 1.00 0.00 H new ATOM 0 HB3 GLN A 54 93.902 -4.955 19.670 1.00 0.00 H new ATOM 0 HG2 GLN A 54 93.462 -2.386 19.434 1.00 0.00 H new ATOM 0 HG3 GLN A 54 91.804 -2.824 19.074 1.00 0.00 H new ATOM 0 HE21 GLN A 54 90.765 -2.297 20.996 1.00 0.00 H new ATOM 0 HE22 GLN A 54 91.238 -2.929 22.577 1.00 0.00 H new ATOM 870 N ARG A 55 93.196 -5.959 16.036 1.00 0.00 N ATOM 871 CA ARG A 55 93.362 -7.218 15.312 1.00 0.00 C ATOM 872 C ARG A 55 94.049 -6.965 13.969 1.00 0.00 C ATOM 873 O ARG A 55 93.998 -5.858 13.439 1.00 0.00 O ATOM 874 CB ARG A 55 91.996 -7.885 15.094 1.00 0.00 C ATOM 875 CG ARG A 55 91.751 -8.937 16.182 1.00 0.00 C ATOM 876 CD ARG A 55 90.360 -9.548 16.003 1.00 0.00 C ATOM 877 NE ARG A 55 89.357 -8.710 16.649 1.00 0.00 N ATOM 878 CZ ARG A 55 88.094 -8.701 16.233 1.00 0.00 C ATOM 879 NH1 ARG A 55 87.733 -9.451 15.227 1.00 0.00 N ATOM 880 NH2 ARG A 55 87.216 -7.944 16.831 1.00 0.00 N ATOM 0 H ARG A 55 92.358 -5.432 15.791 1.00 0.00 H new ATOM 0 HA ARG A 55 93.987 -7.886 15.904 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.207 -7.134 15.118 1.00 0.00 H new ATOM 0 HB3 ARG A 55 91.962 -8.352 14.110 1.00 0.00 H new ATOM 0 HG2 ARG A 55 92.511 -9.716 16.126 1.00 0.00 H new ATOM 0 HG3 ARG A 55 91.834 -8.481 17.168 1.00 0.00 H new ATOM 0 HD2 ARG A 55 90.132 -9.648 14.942 1.00 0.00 H new ATOM 0 HD3 ARG A 55 90.337 -10.551 16.430 1.00 0.00 H new ATOM 0 HE ARG A 55 89.629 -8.119 17.435 1.00 0.00 H new ATOM 0 HH11 ARG A 55 88.420 -10.044 14.760 1.00 0.00 H new ATOM 0 HH12 ARG A 55 86.764 -9.444 14.908 1.00 0.00 H new ATOM 0 HH21 ARG A 55 87.498 -7.359 17.618 1.00 0.00 H new ATOM 0 HH22 ARG A 55 86.247 -7.937 16.512 1.00 0.00 H new ATOM 894 N PRO A 56 94.699 -7.962 13.426 1.00 0.00 N ATOM 895 CA PRO A 56 95.428 -7.840 12.130 1.00 0.00 C ATOM 896 C PRO A 56 94.496 -7.618 10.942 1.00 0.00 C ATOM 897 O PRO A 56 93.302 -7.905 11.005 1.00 0.00 O ATOM 898 CB PRO A 56 96.189 -9.165 12.004 1.00 0.00 C ATOM 899 CG PRO A 56 95.439 -10.134 12.858 1.00 0.00 C ATOM 900 CD PRO A 56 94.812 -9.319 13.989 1.00 0.00 C ATOM 0 HA PRO A 56 96.084 -6.969 12.121 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.225 -9.501 10.968 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.220 -9.060 12.341 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.672 -10.649 12.279 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.106 -10.899 13.255 1.00 0.00 H new ATOM 0 HD2 PRO A 56 93.838 -9.716 14.275 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.436 -9.330 14.883 1.00 0.00 H new ATOM 908 N PHE A 57 95.074 -7.114 9.858 1.00 0.00 N ATOM 909 CA PHE A 57 94.335 -6.850 8.628 1.00 0.00 C ATOM 910 C PHE A 57 95.095 -7.462 7.451 1.00 0.00 C ATOM 911 O PHE A 57 96.310 -7.631 7.532 1.00 0.00 O ATOM 912 CB PHE A 57 94.226 -5.334 8.410 1.00 0.00 C ATOM 913 CG PHE A 57 93.456 -4.695 9.548 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.080 -4.472 10.781 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.117 -4.326 9.367 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.365 -3.880 11.830 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.402 -3.736 10.416 1.00 0.00 C ATOM 918 CZ PHE A 57 92.025 -3.513 11.647 1.00 0.00 C ATOM 0 H PHE A 57 96.065 -6.877 9.806 1.00 0.00 H new ATOM 0 HA PHE A 57 93.338 -7.284 8.702 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.222 -4.896 8.344 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.725 -5.131 7.463 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.112 -4.756 10.923 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.635 -4.497 8.416 1.00 0.00 H new ATOM 0 HE1 PHE A 57 93.847 -3.706 12.781 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.369 -3.453 10.274 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.474 -3.058 12.457 1.00 0.00 H new ATOM 928 N GLU A 58 94.405 -7.768 6.353 1.00 0.00 N ATOM 929 CA GLU A 58 95.087 -8.327 5.180 1.00 0.00 C ATOM 930 C GLU A 58 94.827 -7.429 3.979 1.00 0.00 C ATOM 931 O GLU A 58 93.727 -6.925 3.817 1.00 0.00 O ATOM 932 CB GLU A 58 94.602 -9.752 4.901 1.00 0.00 C ATOM 933 CG GLU A 58 94.492 -10.520 6.217 1.00 0.00 C ATOM 934 CD GLU A 58 94.066 -11.959 5.948 1.00 0.00 C ATOM 935 OE1 GLU A 58 93.796 -12.272 4.801 1.00 0.00 O ATOM 936 OE2 GLU A 58 94.017 -12.729 6.894 1.00 0.00 O ATOM 0 H GLU A 58 93.398 -7.643 6.248 1.00 0.00 H new ATOM 0 HA GLU A 58 96.159 -8.372 5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.634 -9.727 4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 58 95.295 -10.258 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 58 95.450 -10.507 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 58 93.768 -10.034 6.871 1.00 0.00 H new ATOM 943 N ALA A 59 95.843 -7.188 3.161 1.00 0.00 N ATOM 944 CA ALA A 59 95.690 -6.300 2.011 1.00 0.00 C ATOM 945 C ALA A 59 95.969 -7.004 0.692 1.00 0.00 C ATOM 946 O ALA A 59 96.930 -7.760 0.566 1.00 0.00 O ATOM 947 CB ALA A 59 96.679 -5.136 2.149 1.00 0.00 C ATOM 0 H ALA A 59 96.774 -7.590 3.268 1.00 0.00 H new ATOM 0 HA ALA A 59 94.656 -5.955 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.574 -4.466 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.470 -4.588 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.697 -5.525 2.182 1.00 0.00 H new ATOM 953 N ARG A 60 95.136 -6.712 -0.299 1.00 0.00 N ATOM 954 CA ARG A 60 95.310 -7.271 -1.629 1.00 0.00 C ATOM 955 C ARG A 60 95.402 -6.124 -2.626 1.00 0.00 C ATOM 956 O ARG A 60 94.547 -5.239 -2.634 1.00 0.00 O ATOM 957 CB ARG A 60 94.114 -8.160 -1.984 1.00 0.00 C ATOM 958 CG ARG A 60 94.211 -9.494 -1.231 1.00 0.00 C ATOM 959 CD ARG A 60 93.478 -10.582 -2.017 1.00 0.00 C ATOM 960 NE ARG A 60 92.100 -10.179 -2.274 1.00 0.00 N ATOM 961 CZ ARG A 60 91.397 -10.724 -3.262 1.00 0.00 C ATOM 962 NH1 ARG A 60 91.937 -11.637 -4.022 1.00 0.00 N ATOM 963 NH2 ARG A 60 90.165 -10.347 -3.473 1.00 0.00 N ATOM 0 H ARG A 60 94.333 -6.090 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 60 96.218 -7.874 -1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.184 -7.653 -1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.090 -8.340 -3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 60 95.256 -9.771 -1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 60 93.776 -9.394 -0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 60 93.992 -10.768 -2.960 1.00 0.00 H new ATOM 0 HD3 ARG A 60 93.492 -11.517 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 60 91.668 -9.467 -1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 60 92.899 -11.933 -3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 60 91.397 -12.055 -4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 60 89.741 -9.634 -2.880 1.00 0.00 H new ATOM 0 HH22 ARG A 60 89.626 -10.766 -4.231 1.00 0.00 H new ATOM 977 N LEU A 61 96.444 -6.120 -3.450 1.00 0.00 N ATOM 978 CA LEU A 61 96.625 -5.043 -4.421 1.00 0.00 C ATOM 979 C LEU A 61 96.363 -5.534 -5.837 1.00 0.00 C ATOM 980 O LEU A 61 96.569 -6.708 -6.150 1.00 0.00 O ATOM 981 CB LEU A 61 98.054 -4.491 -4.330 1.00 0.00 C ATOM 982 CG LEU A 61 98.143 -3.447 -3.211 1.00 0.00 C ATOM 983 CD1 LEU A 61 97.839 -4.106 -1.861 1.00 0.00 C ATOM 984 CD2 LEU A 61 99.555 -2.851 -3.184 1.00 0.00 C ATOM 0 H LEU A 61 97.168 -6.839 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 61 95.910 -4.254 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.755 -5.303 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.340 -4.042 -5.281 1.00 0.00 H new ATOM 0 HG LEU A 61 97.415 -2.657 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 61 97.904 -3.360 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 61 96.834 -4.529 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 61 98.563 -4.899 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 61 99.621 -2.108 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 61 100.281 -3.643 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 61 99.768 -2.377 -4.142 1.00 0.00 H new ATOM 996 N TYR A 62 95.915 -4.620 -6.692 1.00 0.00 N ATOM 997 CA TYR A 62 95.634 -4.957 -8.081 1.00 0.00 C ATOM 998 C TYR A 62 96.237 -3.911 -9.011 1.00 0.00 C ATOM 999 O TYR A 62 95.752 -2.778 -9.093 1.00 0.00 O ATOM 1000 CB TYR A 62 94.126 -5.035 -8.313 1.00 0.00 C ATOM 1001 CG TYR A 62 93.501 -5.933 -7.276 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.140 -5.416 -6.026 1.00 0.00 C ATOM 1003 CD2 TYR A 62 93.281 -7.285 -7.563 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.559 -6.251 -5.064 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.700 -8.120 -6.603 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.339 -7.603 -5.353 1.00 0.00 C ATOM 1007 OH TYR A 62 91.767 -8.426 -4.407 1.00 0.00 O ATOM 0 H TYR A 62 95.740 -3.645 -6.448 1.00 0.00 H new ATOM 0 HA TYR A 62 96.080 -5.928 -8.296 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.687 -4.039 -8.258 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.921 -5.419 -9.312 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.310 -4.373 -5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 62 93.560 -7.684 -8.527 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.281 -5.852 -4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 62 92.530 -9.163 -6.826 1.00 0.00 H new ATOM 0 HH TYR A 62 91.131 -7.912 -3.868 1.00 0.00 H new ATOM 1017 N LEU A 63 97.293 -4.308 -9.713 1.00 0.00 N ATOM 1018 CA LEU A 63 97.969 -3.422 -10.653 1.00 0.00 C ATOM 1019 C LEU A 63 97.591 -3.819 -12.075 1.00 0.00 C ATOM 1020 O LEU A 63 96.593 -3.342 -12.618 1.00 0.00 O ATOM 1021 CB LEU A 63 99.487 -3.529 -10.466 1.00 0.00 C ATOM 1022 CG LEU A 63 99.931 -2.634 -9.307 1.00 0.00 C ATOM 1023 CD1 LEU A 63 99.100 -2.952 -8.060 1.00 0.00 C ATOM 1024 CD2 LEU A 63 101.411 -2.885 -9.014 1.00 0.00 C ATOM 0 H LEU A 63 97.700 -5.241 -9.648 1.00 0.00 H new ATOM 0 HA LEU A 63 97.663 -2.392 -10.470 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.766 -4.564 -10.266 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.997 -3.233 -11.382 1.00 0.00 H new ATOM 0 HG LEU A 63 99.783 -1.589 -9.578 1.00 0.00 H new ATOM 0 HD11 LEU A 63 99.419 -2.313 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 63 98.045 -2.773 -8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 63 99.243 -3.997 -7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 63 101.731 -2.249 -8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 63 101.556 -3.931 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 63 102.002 -2.654 -9.900 1.00 0.00 H new ATOM 1036 N GLY A 64 98.375 -4.719 -12.662 1.00 0.00 N ATOM 1037 CA GLY A 64 98.084 -5.197 -14.007 1.00 0.00 C ATOM 1038 C GLY A 64 96.835 -6.067 -13.969 1.00 0.00 C ATOM 1039 O GLY A 64 96.276 -6.298 -12.897 1.00 0.00 O ATOM 0 H GLY A 64 99.206 -5.127 -12.233 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.934 -4.354 -14.681 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.928 -5.768 -14.394 1.00 0.00 H new ATOM 1043 N LEU A 65 96.385 -6.547 -15.121 1.00 0.00 N ATOM 1044 CA LEU A 65 95.186 -7.378 -15.142 1.00 0.00 C ATOM 1045 C LEU A 65 95.493 -8.762 -14.574 1.00 0.00 C ATOM 1046 O LEU A 65 94.635 -9.394 -13.957 1.00 0.00 O ATOM 1047 CB LEU A 65 94.628 -7.501 -16.568 1.00 0.00 C ATOM 1048 CG LEU A 65 95.026 -6.269 -17.397 1.00 0.00 C ATOM 1049 CD1 LEU A 65 96.369 -6.524 -18.095 1.00 0.00 C ATOM 1050 CD2 LEU A 65 93.949 -5.999 -18.452 1.00 0.00 C ATOM 0 H LEU A 65 96.817 -6.382 -16.030 1.00 0.00 H new ATOM 0 HA LEU A 65 94.429 -6.900 -14.520 1.00 0.00 H new ATOM 0 HB2 LEU A 65 95.010 -8.406 -17.040 1.00 0.00 H new ATOM 0 HB3 LEU A 65 93.542 -7.593 -16.536 1.00 0.00 H new ATOM 0 HG LEU A 65 95.121 -5.406 -16.738 1.00 0.00 H new ATOM 0 HD11 LEU A 65 96.647 -5.648 -18.681 1.00 0.00 H new ATOM 0 HD12 LEU A 65 97.137 -6.718 -17.346 1.00 0.00 H new ATOM 0 HD13 LEU A 65 96.278 -7.388 -18.754 1.00 0.00 H new ATOM 0 HD21 LEU A 65 94.228 -5.126 -19.042 1.00 0.00 H new ATOM 0 HD22 LEU A 65 93.856 -6.865 -19.107 1.00 0.00 H new ATOM 0 HD23 LEU A 65 92.995 -5.814 -17.959 1.00 0.00 H new ATOM 1062 N ASP A 66 96.719 -9.229 -14.790 1.00 0.00 N ATOM 1063 CA ASP A 66 97.163 -10.535 -14.316 1.00 0.00 C ATOM 1064 C ASP A 66 98.037 -10.404 -13.070 1.00 0.00 C ATOM 1065 O ASP A 66 98.666 -11.373 -12.644 1.00 0.00 O ATOM 1066 CB ASP A 66 98.001 -11.186 -15.420 1.00 0.00 C ATOM 1067 CG ASP A 66 98.148 -12.680 -15.154 1.00 0.00 C ATOM 1068 OD1 ASP A 66 97.150 -13.378 -15.237 1.00 0.00 O ATOM 1069 OD2 ASP A 66 99.255 -13.106 -14.868 1.00 0.00 O ATOM 0 H ASP A 66 97.434 -8.711 -15.300 1.00 0.00 H new ATOM 0 HA ASP A 66 96.286 -11.133 -14.068 1.00 0.00 H new ATOM 0 HB2 ASP A 66 97.528 -11.026 -16.389 1.00 0.00 H new ATOM 0 HB3 ASP A 66 98.984 -10.718 -15.465 1.00 0.00 H new ATOM 1074 N VAL A 67 98.098 -9.201 -12.500 1.00 0.00 N ATOM 1075 CA VAL A 67 98.932 -8.970 -11.316 1.00 0.00 C ATOM 1076 C VAL A 67 98.099 -8.833 -10.050 1.00 0.00 C ATOM 1077 O VAL A 67 97.602 -7.756 -9.722 1.00 0.00 O ATOM 1078 CB VAL A 67 99.793 -7.714 -11.513 1.00 0.00 C ATOM 1079 CG1 VAL A 67 100.378 -7.265 -10.169 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.941 -8.030 -12.478 1.00 0.00 C ATOM 0 H VAL A 67 97.589 -8.381 -12.831 1.00 0.00 H new ATOM 0 HA VAL A 67 99.576 -9.841 -11.196 1.00 0.00 H new ATOM 0 HB VAL A 67 99.172 -6.917 -11.922 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.988 -6.374 -10.317 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.567 -7.039 -9.476 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.996 -8.063 -9.756 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.553 -7.139 -12.619 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.554 -8.830 -12.064 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.533 -8.345 -13.438 1.00 0.00 H new ATOM 1090 N LEU A 68 97.980 -9.943 -9.332 1.00 0.00 N ATOM 1091 CA LEU A 68 97.244 -9.976 -8.078 1.00 0.00 C ATOM 1092 C LEU A 68 98.234 -10.234 -6.944 1.00 0.00 C ATOM 1093 O LEU A 68 98.897 -11.271 -6.918 1.00 0.00 O ATOM 1094 CB LEU A 68 96.186 -11.085 -8.139 1.00 0.00 C ATOM 1095 CG LEU A 68 95.788 -11.518 -6.727 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.301 -10.303 -5.930 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.667 -12.558 -6.814 1.00 0.00 C ATOM 0 H LEU A 68 98.388 -10.838 -9.601 1.00 0.00 H new ATOM 0 HA LEU A 68 96.737 -9.027 -7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.308 -10.730 -8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.576 -11.939 -8.692 1.00 0.00 H new ATOM 0 HG LEU A 68 96.652 -11.952 -6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 68 95.019 -10.617 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 68 96.100 -9.564 -5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.437 -9.863 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.381 -12.869 -5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.805 -12.122 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 68 95.017 -13.424 -7.376 1.00 0.00 H new ATOM 1109 N ILE A 69 98.351 -9.279 -6.025 1.00 0.00 N ATOM 1110 CA ILE A 69 99.292 -9.414 -4.912 1.00 0.00 C ATOM 1111 C ILE A 69 98.565 -9.517 -3.571 1.00 0.00 C ATOM 1112 O ILE A 69 97.530 -8.884 -3.362 1.00 0.00 O ATOM 1113 CB ILE A 69 100.245 -8.210 -4.915 1.00 0.00 C ATOM 1114 CG1 ILE A 69 101.165 -8.301 -6.152 1.00 0.00 C ATOM 1115 CG2 ILE A 69 101.098 -8.212 -3.635 1.00 0.00 C ATOM 1116 CD1 ILE A 69 101.135 -6.982 -6.927 1.00 0.00 C ATOM 0 H ILE A 69 97.814 -8.412 -6.026 1.00 0.00 H new ATOM 0 HA ILE A 69 99.859 -10.336 -5.043 1.00 0.00 H new ATOM 0 HB ILE A 69 99.666 -7.287 -4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 69 102.185 -8.526 -5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.841 -9.118 -6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.771 -7.355 -3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.446 -8.151 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.682 -9.131 -3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.787 -7.056 -7.797 1.00 0.00 H new ATOM 0 HD12 ILE A 69 100.116 -6.775 -7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.481 -6.174 -6.283 1.00 0.00 H new ATOM 1128 N ARG A 70 99.134 -10.311 -2.659 1.00 0.00 N ATOM 1129 CA ARG A 70 98.560 -10.488 -1.324 1.00 0.00 C ATOM 1130 C ARG A 70 99.610 -10.234 -0.244 1.00 0.00 C ATOM 1131 O ARG A 70 100.750 -10.697 -0.344 1.00 0.00 O ATOM 1132 CB ARG A 70 97.979 -11.895 -1.179 1.00 0.00 C ATOM 1133 CG ARG A 70 99.063 -12.941 -1.449 1.00 0.00 C ATOM 1134 CD ARG A 70 98.475 -14.337 -1.249 1.00 0.00 C ATOM 1135 NE ARG A 70 97.787 -14.414 0.034 1.00 0.00 N ATOM 1136 CZ ARG A 70 98.462 -14.381 1.178 1.00 0.00 C ATOM 1137 NH1 ARG A 70 99.764 -14.291 1.165 1.00 0.00 N ATOM 1138 NH2 ARG A 70 97.824 -14.439 2.314 1.00 0.00 N ATOM 0 H ARG A 70 99.991 -10.840 -2.822 1.00 0.00 H new ATOM 0 HA ARG A 70 97.757 -9.762 -1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 70 97.575 -12.029 -0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 70 97.152 -12.029 -1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 70 99.442 -12.835 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 70 99.907 -12.789 -0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 70 97.780 -14.566 -2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 70 99.269 -15.083 -1.290 1.00 0.00 H new ATOM 0 HE ARG A 70 96.770 -14.495 0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 70 100.263 -14.246 0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 70 100.282 -14.266 2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 70 96.807 -14.510 2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 70 98.343 -14.414 3.192 1.00 0.00 H new ATOM 1152 N MET A 71 99.213 -9.490 0.784 1.00 0.00 N ATOM 1153 CA MET A 71 100.112 -9.160 1.883 1.00 0.00 C ATOM 1154 C MET A 71 99.338 -9.077 3.199 1.00 0.00 C ATOM 1155 O MET A 71 98.170 -8.691 3.213 1.00 0.00 O ATOM 1156 CB MET A 71 100.808 -7.809 1.609 1.00 0.00 C ATOM 1157 CG MET A 71 100.189 -7.113 0.386 1.00 0.00 C ATOM 1158 SD MET A 71 100.363 -5.317 0.559 1.00 0.00 S ATOM 1159 CE MET A 71 102.155 -5.272 0.818 1.00 0.00 C ATOM 0 H MET A 71 98.273 -9.104 0.878 1.00 0.00 H new ATOM 0 HA MET A 71 100.863 -9.946 1.962 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.718 -7.165 2.484 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.873 -7.971 1.440 1.00 0.00 H new ATOM 0 HG2 MET A 71 100.682 -7.451 -0.526 1.00 0.00 H new ATOM 0 HG3 MET A 71 99.136 -7.380 0.297 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.496 -4.237 0.825 1.00 0.00 H new ATOM 0 HE2 MET A 71 102.397 -5.740 1.772 1.00 0.00 H new ATOM 0 HE3 MET A 71 102.653 -5.812 0.013 1.00 0.00 H new ATOM 1169 N GLU A 72 100.003 -9.405 4.306 1.00 0.00 N ATOM 1170 CA GLU A 72 99.366 -9.321 5.620 1.00 0.00 C ATOM 1171 C GLU A 72 99.877 -8.066 6.311 1.00 0.00 C ATOM 1172 O GLU A 72 101.071 -7.776 6.242 1.00 0.00 O ATOM 1173 CB GLU A 72 99.693 -10.555 6.465 1.00 0.00 C ATOM 1174 CG GLU A 72 98.658 -10.692 7.583 1.00 0.00 C ATOM 1175 CD GLU A 72 99.103 -11.753 8.582 1.00 0.00 C ATOM 1176 OE1 GLU A 72 100.244 -12.176 8.497 1.00 0.00 O ATOM 1177 OE2 GLU A 72 98.298 -12.126 9.419 1.00 0.00 O ATOM 0 H GLU A 72 100.971 -9.728 4.321 1.00 0.00 H new ATOM 0 HA GLU A 72 98.283 -9.279 5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.691 -11.448 5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.693 -10.465 6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 72 98.530 -9.735 8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 72 97.690 -10.962 7.162 1.00 0.00 H new ATOM 1184 N ILE A 73 98.996 -7.294 6.936 1.00 0.00 N ATOM 1185 CA ILE A 73 99.445 -6.055 7.564 1.00 0.00 C ATOM 1186 C ILE A 73 98.701 -5.734 8.861 1.00 0.00 C ATOM 1187 O ILE A 73 97.582 -6.194 9.086 1.00 0.00 O ATOM 1188 CB ILE A 73 99.237 -4.918 6.566 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.763 -4.485 6.590 1.00 0.00 C ATOM 1190 CG2 ILE A 73 99.599 -5.411 5.161 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.439 -3.608 5.375 1.00 0.00 C ATOM 0 H ILE A 73 97.999 -7.493 7.022 1.00 0.00 H new ATOM 0 HA ILE A 73 100.495 -6.174 7.830 1.00 0.00 H new ATOM 0 HB ILE A 73 99.870 -4.072 6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.120 -5.365 6.592 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.555 -3.936 7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 73 99.453 -4.604 4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 73 100.642 -5.727 5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 73 98.960 -6.253 4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.391 -3.311 5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 73 98.069 -2.718 5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 73 97.627 -4.170 4.460 1.00 0.00 H new ATOM 1203 N SER A 74 99.340 -4.915 9.699 1.00 0.00 N ATOM 1204 CA SER A 74 98.750 -4.491 10.971 1.00 0.00 C ATOM 1205 C SER A 74 98.680 -2.965 11.034 1.00 0.00 C ATOM 1206 O SER A 74 99.444 -2.275 10.356 1.00 0.00 O ATOM 1207 CB SER A 74 99.583 -5.013 12.144 1.00 0.00 C ATOM 1208 OG SER A 74 99.470 -4.110 13.237 1.00 0.00 O ATOM 0 H SER A 74 100.268 -4.531 9.519 1.00 0.00 H new ATOM 0 HA SER A 74 97.743 -4.902 11.039 1.00 0.00 H new ATOM 0 HB2 SER A 74 99.237 -6.004 12.438 1.00 0.00 H new ATOM 0 HB3 SER A 74 100.627 -5.115 11.847 1.00 0.00 H new ATOM 0 HG SER A 74 100.001 -4.441 13.991 1.00 0.00 H new ATOM 1214 N LEU A 75 97.763 -2.442 11.844 1.00 0.00 N ATOM 1215 CA LEU A 75 97.601 -0.995 11.978 1.00 0.00 C ATOM 1216 C LEU A 75 98.847 -0.378 12.603 1.00 0.00 C ATOM 1217 O LEU A 75 99.191 -0.669 13.748 1.00 0.00 O ATOM 1218 CB LEU A 75 96.381 -0.702 12.867 1.00 0.00 C ATOM 1219 CG LEU A 75 95.789 0.684 12.549 1.00 0.00 C ATOM 1220 CD1 LEU A 75 96.889 1.747 12.571 1.00 0.00 C ATOM 1221 CD2 LEU A 75 95.113 0.669 11.170 1.00 0.00 C ATOM 0 H LEU A 75 97.123 -2.994 12.415 1.00 0.00 H new ATOM 0 HA LEU A 75 97.452 -0.560 10.990 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.622 -1.470 12.715 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.672 -0.745 13.917 1.00 0.00 H new ATOM 0 HG LEU A 75 95.045 0.925 13.308 1.00 0.00 H new ATOM 0 HD11 LEU A 75 96.457 2.722 12.345 1.00 0.00 H new ATOM 0 HD12 LEU A 75 97.349 1.774 13.559 1.00 0.00 H new ATOM 0 HD13 LEU A 75 97.646 1.503 11.825 1.00 0.00 H new ATOM 0 HD21 LEU A 75 94.699 1.654 10.957 1.00 0.00 H new ATOM 0 HD22 LEU A 75 95.848 0.412 10.407 1.00 0.00 H new ATOM 0 HD23 LEU A 75 94.312 -0.070 11.166 1.00 0.00 H new ATOM 1233 N ALA A 76 99.493 0.513 11.851 1.00 0.00 N ATOM 1234 CA ALA A 76 100.669 1.212 12.352 1.00 0.00 C ATOM 1235 C ALA A 76 100.271 2.590 12.891 1.00 0.00 C ATOM 1236 O ALA A 76 100.764 3.034 13.929 1.00 0.00 O ATOM 1237 CB ALA A 76 101.729 1.323 11.257 1.00 0.00 C ATOM 0 H ALA A 76 99.222 0.764 10.900 1.00 0.00 H new ATOM 0 HA ALA A 76 101.102 0.641 13.174 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.601 1.848 11.647 1.00 0.00 H new ATOM 0 HB2 ALA A 76 102.022 0.325 10.931 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.321 1.876 10.411 1.00 0.00 H new ATOM 1243 N TRP A 77 99.371 3.255 12.166 1.00 0.00 N ATOM 1244 CA TRP A 77 98.894 4.586 12.556 1.00 0.00 C ATOM 1245 C TRP A 77 97.716 5.008 11.674 1.00 0.00 C ATOM 1246 O TRP A 77 97.434 4.373 10.658 1.00 0.00 O ATOM 1247 CB TRP A 77 100.029 5.609 12.396 1.00 0.00 C ATOM 1248 CG TRP A 77 100.405 5.651 10.955 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.404 4.933 10.394 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.805 6.432 9.879 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.391 5.146 9.033 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.453 6.095 8.671 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.759 7.372 9.828 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 100.087 6.673 7.455 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.387 7.959 8.606 1.00 0.00 C ATOM 1256 CH2 TRP A 77 99.055 7.615 7.421 1.00 0.00 C ATOM 0 H TRP A 77 98.957 2.896 11.306 1.00 0.00 H new ATOM 0 HA TRP A 77 98.570 4.549 13.596 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.707 6.593 12.735 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.887 5.326 13.006 1.00 0.00 H new ATOM 0 HD1 TRP A 77 102.097 4.298 10.925 1.00 0.00 H new ATOM 0 HE1 TRP A 77 102.000 4.662 8.373 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.238 7.644 10.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.598 6.394 6.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.582 8.679 8.579 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.773 8.076 6.486 1.00 0.00 H new ATOM 1267 N ALA A 78 97.045 6.092 12.058 1.00 0.00 N ATOM 1268 CA ALA A 78 95.917 6.606 11.280 1.00 0.00 C ATOM 1269 C ALA A 78 95.796 8.114 11.472 1.00 0.00 C ATOM 1270 O ALA A 78 95.676 8.586 12.604 1.00 0.00 O ATOM 1271 CB ALA A 78 94.628 5.944 11.772 1.00 0.00 C ATOM 0 H ALA A 78 97.260 6.630 12.898 1.00 0.00 H new ATOM 0 HA ALA A 78 96.080 6.385 10.225 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.783 6.322 11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.701 4.864 11.643 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.481 6.174 12.827 1.00 0.00 H new ATOM 1277 N ARG A 79 95.821 8.880 10.380 1.00 0.00 N ATOM 1278 CA ARG A 79 95.701 10.331 10.507 1.00 0.00 C ATOM 1279 C ARG A 79 95.085 10.992 9.269 1.00 0.00 C ATOM 1280 O ARG A 79 95.505 10.734 8.141 1.00 0.00 O ATOM 1281 CB ARG A 79 97.088 10.932 10.819 1.00 0.00 C ATOM 1282 CG ARG A 79 97.341 12.206 9.998 1.00 0.00 C ATOM 1283 CD ARG A 79 98.626 12.878 10.485 1.00 0.00 C ATOM 1284 NE ARG A 79 98.355 13.682 11.672 1.00 0.00 N ATOM 1285 CZ ARG A 79 99.317 13.969 12.542 1.00 0.00 C ATOM 1286 NH1 ARG A 79 100.529 13.527 12.342 1.00 0.00 N ATOM 1287 NH2 ARG A 79 99.051 14.692 13.596 1.00 0.00 N ATOM 0 H ARG A 79 95.920 8.533 9.426 1.00 0.00 H new ATOM 0 HA ARG A 79 95.014 10.535 11.329 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.156 11.162 11.882 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.863 10.197 10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 79 97.425 11.959 8.940 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.499 12.890 10.099 1.00 0.00 H new ATOM 0 HD2 ARG A 79 99.377 12.121 10.713 1.00 0.00 H new ATOM 0 HD3 ARG A 79 99.037 13.508 9.696 1.00 0.00 H new ATOM 0 HE ARG A 79 97.410 14.030 11.837 1.00 0.00 H new ATOM 0 HH11 ARG A 79 100.736 12.962 11.518 1.00 0.00 H new ATOM 0 HH12 ARG A 79 101.269 13.747 13.009 1.00 0.00 H new ATOM 0 HH21 ARG A 79 98.104 15.037 13.752 1.00 0.00 H new ATOM 0 HH22 ARG A 79 99.790 14.912 14.263 1.00 0.00 H new ATOM 1301 N ASP A 80 94.133 11.896 9.499 1.00 0.00 N ATOM 1302 CA ASP A 80 93.517 12.655 8.410 1.00 0.00 C ATOM 1303 C ASP A 80 92.889 11.784 7.324 1.00 0.00 C ATOM 1304 O ASP A 80 93.075 12.052 6.137 1.00 0.00 O ATOM 1305 CB ASP A 80 94.567 13.567 7.771 1.00 0.00 C ATOM 1306 CG ASP A 80 95.041 14.606 8.783 1.00 0.00 C ATOM 1307 OD1 ASP A 80 94.579 14.558 9.912 1.00 0.00 O ATOM 1308 OD2 ASP A 80 95.859 15.433 8.414 1.00 0.00 O ATOM 0 H ASP A 80 93.772 12.120 10.426 1.00 0.00 H new ATOM 0 HA ASP A 80 92.706 13.230 8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.413 12.974 7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 80 94.146 14.064 6.897 1.00 0.00 H new ATOM 1313 N GLY A 81 92.104 10.781 7.705 1.00 0.00 N ATOM 1314 CA GLY A 81 91.428 9.952 6.710 1.00 0.00 C ATOM 1315 C GLY A 81 92.295 8.820 6.174 1.00 0.00 C ATOM 1316 O GLY A 81 91.771 7.793 5.745 1.00 0.00 O ATOM 0 H GLY A 81 91.922 10.525 8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.526 9.530 7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 81 91.111 10.582 5.879 1.00 0.00 H new ATOM 1320 N LEU A 82 93.612 8.995 6.171 1.00 0.00 N ATOM 1321 CA LEU A 82 94.490 7.955 5.650 1.00 0.00 C ATOM 1322 C LEU A 82 94.883 6.985 6.759 1.00 0.00 C ATOM 1323 O LEU A 82 94.850 7.330 7.940 1.00 0.00 O ATOM 1324 CB LEU A 82 95.744 8.588 5.037 1.00 0.00 C ATOM 1325 CG LEU A 82 95.379 9.917 4.370 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.604 10.479 3.646 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.254 9.687 3.358 1.00 0.00 C ATOM 0 H LEU A 82 94.087 9.829 6.516 1.00 0.00 H new ATOM 0 HA LEU A 82 93.956 7.402 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.495 8.752 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.184 7.911 4.304 1.00 0.00 H new ATOM 0 HG LEU A 82 95.048 10.625 5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.344 11.425 3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.408 10.642 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 82 96.934 9.771 2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 82 93.993 10.633 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.586 8.979 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.380 9.286 3.871 1.00 0.00 H new ATOM 1339 N LEU A 83 95.239 5.763 6.368 1.00 0.00 N ATOM 1340 CA LEU A 83 95.619 4.736 7.332 1.00 0.00 C ATOM 1341 C LEU A 83 96.953 4.103 6.973 1.00 0.00 C ATOM 1342 O LEU A 83 97.186 3.758 5.815 1.00 0.00 O ATOM 1343 CB LEU A 83 94.574 3.616 7.284 1.00 0.00 C ATOM 1344 CG LEU A 83 93.166 4.188 7.448 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.145 3.067 7.230 1.00 0.00 C ATOM 1346 CD2 LEU A 83 92.998 4.761 8.861 1.00 0.00 C ATOM 0 H LEU A 83 95.272 5.462 5.394 1.00 0.00 H new ATOM 0 HA LEU A 83 95.687 5.205 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.648 3.083 6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.773 2.892 8.074 1.00 0.00 H new ATOM 0 HG LEU A 83 93.009 4.983 6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.137 3.466 7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.262 2.659 6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.309 2.278 7.964 1.00 0.00 H new ATOM 0 HD21 LEU A 83 91.993 5.167 8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.153 3.970 9.595 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.729 5.553 9.022 1.00 0.00 H new ATOM 1358 N GLY A 84 97.821 3.921 7.958 1.00 0.00 N ATOM 1359 CA GLY A 84 99.108 3.295 7.707 1.00 0.00 C ATOM 1360 C GLY A 84 99.049 1.833 8.097 1.00 0.00 C ATOM 1361 O GLY A 84 98.283 1.448 8.978 1.00 0.00 O ATOM 0 H GLY A 84 97.659 4.195 8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.370 3.390 6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.887 3.802 8.276 1.00 0.00 H new ATOM 1365 N PHE A 85 99.852 1.018 7.439 1.00 0.00 N ATOM 1366 CA PHE A 85 99.867 -0.402 7.733 1.00 0.00 C ATOM 1367 C PHE A 85 101.267 -0.965 7.561 1.00 0.00 C ATOM 1368 O PHE A 85 101.959 -0.644 6.594 1.00 0.00 O ATOM 1369 CB PHE A 85 98.896 -1.123 6.799 1.00 0.00 C ATOM 1370 CG PHE A 85 97.482 -0.911 7.280 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.031 -1.582 8.420 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.621 -0.051 6.591 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.724 -1.396 8.874 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.309 0.138 7.047 1.00 0.00 C ATOM 1375 CZ PHE A 85 94.862 -0.535 8.189 1.00 0.00 C ATOM 0 H PHE A 85 100.496 1.311 6.705 1.00 0.00 H new ATOM 0 HA PHE A 85 99.559 -0.554 8.767 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.006 -0.746 5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.126 -2.188 6.771 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.696 -2.247 8.952 1.00 0.00 H new ATOM 0 HD2 PHE A 85 96.967 0.467 5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.379 -1.917 9.755 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.643 0.803 6.517 1.00 0.00 H new ATOM 0 HZ PHE A 85 93.851 -0.389 8.541 1.00 0.00 H new ATOM 1385 N GLU A 86 101.686 -1.807 8.500 1.00 0.00 N ATOM 1386 CA GLU A 86 103.009 -2.407 8.430 1.00 0.00 C ATOM 1387 C GLU A 86 102.884 -3.860 7.977 1.00 0.00 C ATOM 1388 O GLU A 86 102.115 -4.631 8.552 1.00 0.00 O ATOM 1389 CB GLU A 86 103.676 -2.354 9.806 1.00 0.00 C ATOM 1390 CG GLU A 86 102.655 -2.733 10.881 1.00 0.00 C ATOM 1391 CD GLU A 86 103.333 -2.788 12.245 1.00 0.00 C ATOM 1392 OE1 GLU A 86 103.990 -3.779 12.516 1.00 0.00 O ATOM 1393 OE2 GLU A 86 103.185 -1.841 12.998 1.00 0.00 O ATOM 0 H GLU A 86 101.133 -2.086 9.310 1.00 0.00 H new ATOM 0 HA GLU A 86 103.619 -1.854 7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 86 104.524 -3.038 9.838 1.00 0.00 H new ATOM 0 HB3 GLU A 86 104.065 -1.354 9.995 1.00 0.00 H new ATOM 0 HG2 GLU A 86 101.844 -2.005 10.897 1.00 0.00 H new ATOM 0 HG3 GLU A 86 102.210 -3.700 10.647 1.00 0.00 H new ATOM 1400 N CYS A 87 103.625 -4.225 6.940 1.00 0.00 N ATOM 1401 CA CYS A 87 103.560 -5.587 6.420 1.00 0.00 C ATOM 1402 C CYS A 87 104.348 -6.551 7.299 1.00 0.00 C ATOM 1403 O CYS A 87 105.517 -6.319 7.607 1.00 0.00 O ATOM 1404 CB CYS A 87 104.107 -5.627 4.996 1.00 0.00 C ATOM 1405 SG CYS A 87 104.126 -7.337 4.404 1.00 0.00 S ATOM 0 H CYS A 87 104.270 -3.608 6.447 1.00 0.00 H new ATOM 0 HA CYS A 87 102.516 -5.899 6.420 1.00 0.00 H new ATOM 0 HB2 CYS A 87 103.491 -5.011 4.341 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.114 -5.211 4.970 1.00 0.00 H new ATOM 0 HG CYS A 87 104.590 -7.371 3.190 1.00 0.00 H new ATOM 1411 N GLN A 88 103.693 -7.637 7.697 1.00 0.00 N ATOM 1412 CA GLN A 88 104.325 -8.646 8.542 1.00 0.00 C ATOM 1413 C GLN A 88 104.695 -9.873 7.711 1.00 0.00 C ATOM 1414 O GLN A 88 105.638 -10.593 8.037 1.00 0.00 O ATOM 1415 CB GLN A 88 103.372 -9.049 9.677 1.00 0.00 C ATOM 1416 CG GLN A 88 102.067 -8.259 9.559 1.00 0.00 C ATOM 1417 CD GLN A 88 101.151 -8.590 10.729 1.00 0.00 C ATOM 1418 OE1 GLN A 88 100.387 -7.658 11.225 1.00 0.00 O flip ATOM 1419 NE2 GLN A 88 101.133 -9.725 11.203 1.00 0.00 N flip ATOM 0 H GLN A 88 102.725 -7.842 7.448 1.00 0.00 H new ATOM 0 HA GLN A 88 105.234 -8.226 8.972 1.00 0.00 H new ATOM 0 HB2 GLN A 88 103.167 -10.118 9.630 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.839 -8.856 10.643 1.00 0.00 H new ATOM 0 HG2 GLN A 88 102.279 -7.190 9.544 1.00 0.00 H new ATOM 0 HG3 GLN A 88 101.571 -8.499 8.619 1.00 0.00 H new ATOM 0 HE21 GLN A 88 101.733 -10.451 10.811 1.00 0.00 H new ATOM 0 HE22 GLN A 88 100.518 -9.940 11.988 1.00 0.00 H new ATOM 1428 N HIS A 89 103.951 -10.097 6.631 1.00 0.00 N ATOM 1429 CA HIS A 89 104.221 -11.233 5.758 1.00 0.00 C ATOM 1430 C HIS A 89 103.603 -11.001 4.381 1.00 0.00 C ATOM 1431 O HIS A 89 102.503 -10.471 4.262 1.00 0.00 O ATOM 1432 CB HIS A 89 103.655 -12.520 6.386 1.00 0.00 C ATOM 1433 CG HIS A 89 102.976 -13.361 5.335 1.00 0.00 C ATOM 1434 ND1 HIS A 89 103.572 -13.645 4.115 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.750 -13.979 5.306 1.00 0.00 C ATOM 1436 CE1 HIS A 89 102.711 -14.404 3.411 1.00 0.00 C ATOM 1437 NE2 HIS A 89 101.586 -14.637 4.090 1.00 0.00 N ATOM 0 H HIS A 89 103.165 -9.514 6.343 1.00 0.00 H new ATOM 0 HA HIS A 89 105.299 -11.340 5.640 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.459 -13.089 6.853 1.00 0.00 H new ATOM 0 HB3 HIS A 89 102.945 -12.267 7.173 1.00 0.00 H new ATOM 0 HD2 HIS A 89 101.024 -13.958 6.105 1.00 0.00 H new ATOM 0 HE1 HIS A 89 102.907 -14.779 2.417 1.00 0.00 H new ATOM 0 HE2 HIS A 89 100.779 -15.181 3.784 1.00 0.00 H new ATOM 1445 N ILE A 90 104.329 -11.403 3.350 1.00 0.00 N ATOM 1446 CA ILE A 90 103.871 -11.247 1.975 1.00 0.00 C ATOM 1447 C ILE A 90 104.363 -12.418 1.130 1.00 0.00 C ATOM 1448 O ILE A 90 105.473 -12.918 1.313 1.00 0.00 O ATOM 1449 CB ILE A 90 104.349 -9.909 1.410 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.020 -9.829 -0.084 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.859 -9.772 1.618 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.283 -8.406 -0.591 1.00 0.00 C ATOM 0 H ILE A 90 105.245 -11.843 3.439 1.00 0.00 H new ATOM 0 HA ILE A 90 102.781 -11.248 1.952 1.00 0.00 H new ATOM 0 HB ILE A 90 103.841 -9.097 1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.628 -10.543 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 90 102.978 -10.100 -0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.197 -8.818 1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.085 -9.816 2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.372 -10.585 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.049 -8.349 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 90 103.656 -7.703 -0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.332 -8.153 -0.437 1.00 0.00 H new ATOM 1464 N ASP A 91 103.493 -12.869 0.230 1.00 0.00 N ATOM 1465 CA ASP A 91 103.792 -14.013 -0.630 1.00 0.00 C ATOM 1466 C ASP A 91 105.106 -13.837 -1.391 1.00 0.00 C ATOM 1467 O ASP A 91 105.430 -12.748 -1.865 1.00 0.00 O ATOM 1468 CB ASP A 91 102.641 -14.233 -1.622 1.00 0.00 C ATOM 1469 CG ASP A 91 101.830 -15.465 -1.228 1.00 0.00 C ATOM 1470 OD1 ASP A 91 101.635 -15.668 -0.040 1.00 0.00 O ATOM 1471 OD2 ASP A 91 101.418 -16.188 -2.119 1.00 0.00 O ATOM 0 H ASP A 91 102.572 -12.459 0.076 1.00 0.00 H new ATOM 0 HA ASP A 91 103.901 -14.886 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 91 101.995 -13.355 -1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 91 103.039 -14.358 -2.629 1.00 0.00 H new ATOM 1476 N LEU A 92 105.850 -14.935 -1.496 1.00 0.00 N ATOM 1477 CA LEU A 92 107.130 -14.921 -2.199 1.00 0.00 C ATOM 1478 C LEU A 92 106.938 -14.382 -3.615 1.00 0.00 C ATOM 1479 O LEU A 92 107.738 -13.583 -4.100 1.00 0.00 O ATOM 1480 CB LEU A 92 107.710 -16.340 -2.257 1.00 0.00 C ATOM 1481 CG LEU A 92 109.040 -16.333 -3.030 1.00 0.00 C ATOM 1482 CD1 LEU A 92 110.040 -17.266 -2.342 1.00 0.00 C ATOM 1483 CD2 LEU A 92 108.809 -16.818 -4.467 1.00 0.00 C ATOM 0 H LEU A 92 105.591 -15.841 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 92 107.824 -14.274 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.869 -16.719 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.002 -17.012 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 92 109.435 -15.317 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 92 110.981 -17.259 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 92 110.213 -16.925 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 92 109.638 -18.279 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 92 109.754 -16.811 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 92 108.408 -17.832 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 92 108.100 -16.156 -4.965 1.00 0.00 H new ATOM 1495 N ASP A 93 105.863 -14.818 -4.263 1.00 0.00 N ATOM 1496 CA ASP A 93 105.563 -14.363 -5.613 1.00 0.00 C ATOM 1497 C ASP A 93 105.184 -12.889 -5.574 1.00 0.00 C ATOM 1498 O ASP A 93 105.534 -12.119 -6.467 1.00 0.00 O ATOM 1499 CB ASP A 93 104.409 -15.182 -6.200 1.00 0.00 C ATOM 1500 CG ASP A 93 103.953 -14.572 -7.522 1.00 0.00 C ATOM 1501 OD1 ASP A 93 104.805 -14.311 -8.356 1.00 0.00 O ATOM 1502 OD2 ASP A 93 102.760 -14.374 -7.680 1.00 0.00 O ATOM 0 H ASP A 93 105.190 -15.481 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 93 106.443 -14.497 -6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 93 104.727 -16.213 -6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 93 103.577 -15.209 -5.497 1.00 0.00 H new ATOM 1507 N SER A 94 104.479 -12.505 -4.514 1.00 0.00 N ATOM 1508 CA SER A 94 104.066 -11.120 -4.341 1.00 0.00 C ATOM 1509 C SER A 94 105.288 -10.246 -4.095 1.00 0.00 C ATOM 1510 O SER A 94 105.358 -9.109 -4.560 1.00 0.00 O ATOM 1511 CB SER A 94 103.105 -11.012 -3.159 1.00 0.00 C ATOM 1512 OG SER A 94 101.794 -11.359 -3.588 1.00 0.00 O ATOM 0 H SER A 94 104.184 -13.132 -3.766 1.00 0.00 H new ATOM 0 HA SER A 94 103.560 -10.781 -5.245 1.00 0.00 H new ATOM 0 HB2 SER A 94 103.424 -11.674 -2.354 1.00 0.00 H new ATOM 0 HB3 SER A 94 103.113 -9.998 -2.760 1.00 0.00 H new ATOM 0 HG SER A 94 101.710 -12.335 -3.626 1.00 0.00 H new ATOM 1518 N ILE A 95 106.254 -10.796 -3.369 1.00 0.00 N ATOM 1519 CA ILE A 95 107.483 -10.074 -3.073 1.00 0.00 C ATOM 1520 C ILE A 95 108.178 -9.680 -4.368 1.00 0.00 C ATOM 1521 O ILE A 95 108.759 -8.599 -4.466 1.00 0.00 O ATOM 1522 CB ILE A 95 108.422 -10.956 -2.233 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.992 -10.917 -0.753 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.872 -10.477 -2.380 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.806 -9.866 0.016 1.00 0.00 C ATOM 0 H ILE A 95 106.210 -11.736 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 95 107.235 -9.175 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 95 108.359 -11.983 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 95 106.929 -10.685 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 95 108.135 -11.898 -0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.527 -11.110 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 95 110.170 -10.535 -3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.951 -9.445 -2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.489 -9.852 1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 95 109.866 -10.115 -0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 95 108.642 -8.883 -0.426 1.00 0.00 H new ATOM 1537 N SER A 96 108.140 -10.572 -5.353 1.00 0.00 N ATOM 1538 CA SER A 96 108.801 -10.295 -6.620 1.00 0.00 C ATOM 1539 C SER A 96 108.065 -9.217 -7.403 1.00 0.00 C ATOM 1540 O SER A 96 108.701 -8.371 -8.033 1.00 0.00 O ATOM 1541 CB SER A 96 108.930 -11.563 -7.457 1.00 0.00 C ATOM 1542 OG SER A 96 110.268 -11.696 -7.916 1.00 0.00 O ATOM 0 H SER A 96 107.668 -11.475 -5.300 1.00 0.00 H new ATOM 0 HA SER A 96 109.802 -9.927 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.650 -12.433 -6.863 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.246 -11.523 -8.305 1.00 0.00 H new ATOM 0 HG SER A 96 110.350 -12.512 -8.452 1.00 0.00 H new ATOM 1548 N HIS A 97 106.742 -9.225 -7.372 1.00 0.00 N ATOM 1549 CA HIS A 97 106.016 -8.200 -8.101 1.00 0.00 C ATOM 1550 C HIS A 97 106.350 -6.839 -7.500 1.00 0.00 C ATOM 1551 O HIS A 97 106.611 -5.882 -8.224 1.00 0.00 O ATOM 1552 CB HIS A 97 104.511 -8.449 -8.062 1.00 0.00 C ATOM 1553 CG HIS A 97 104.121 -9.486 -9.075 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.880 -9.163 -10.400 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.891 -10.834 -8.968 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.519 -10.292 -11.032 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.510 -11.342 -10.207 1.00 0.00 N ATOM 0 H HIS A 97 106.167 -9.902 -6.870 1.00 0.00 H new ATOM 0 HA HIS A 97 106.320 -8.227 -9.148 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.217 -8.778 -7.065 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.978 -7.519 -8.261 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.990 -11.413 -8.062 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.267 -10.344 -12.081 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.275 -12.308 -10.435 1.00 0.00 H new ATOM 1565 N LEU A 98 106.381 -6.769 -6.175 1.00 0.00 N ATOM 1566 CA LEU A 98 106.728 -5.526 -5.491 1.00 0.00 C ATOM 1567 C LEU A 98 108.134 -5.083 -5.892 1.00 0.00 C ATOM 1568 O LEU A 98 108.397 -3.885 -6.002 1.00 0.00 O ATOM 1569 CB LEU A 98 106.643 -5.709 -3.967 1.00 0.00 C ATOM 1570 CG LEU A 98 105.363 -5.060 -3.430 1.00 0.00 C ATOM 1571 CD1 LEU A 98 104.144 -5.819 -3.958 1.00 0.00 C ATOM 1572 CD2 LEU A 98 105.373 -5.114 -1.902 1.00 0.00 C ATOM 0 H LEU A 98 106.172 -7.551 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 98 106.017 -4.755 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 98 106.654 -6.770 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 98 107.515 -5.261 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 98 105.314 -4.022 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 98 103.234 -5.357 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 98 104.138 -5.785 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 98 104.190 -6.857 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 98 104.464 -4.653 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 98 105.421 -6.153 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 98 106.242 -4.575 -1.525 1.00 0.00 H new ATOM 1584 N ARG A 99 109.031 -6.030 -6.133 1.00 0.00 N ATOM 1585 CA ARG A 99 110.385 -5.671 -6.542 1.00 0.00 C ATOM 1586 C ARG A 99 110.341 -4.929 -7.879 1.00 0.00 C ATOM 1587 O ARG A 99 111.105 -3.993 -8.108 1.00 0.00 O ATOM 1588 CB ARG A 99 111.253 -6.931 -6.663 1.00 0.00 C ATOM 1589 CG ARG A 99 111.880 -7.261 -5.299 1.00 0.00 C ATOM 1590 CD ARG A 99 112.042 -8.778 -5.154 1.00 0.00 C ATOM 1591 NE ARG A 99 112.267 -9.391 -6.459 1.00 0.00 N ATOM 1592 CZ ARG A 99 113.471 -9.389 -7.019 1.00 0.00 C ATOM 1593 NH1 ARG A 99 114.476 -8.836 -6.400 1.00 0.00 N ATOM 1594 NH2 ARG A 99 113.648 -9.940 -8.189 1.00 0.00 N ATOM 0 H ARG A 99 108.853 -7.031 -6.055 1.00 0.00 H new ATOM 0 HA ARG A 99 110.824 -5.018 -5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.648 -7.769 -7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 99 112.035 -6.775 -7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 99 112.850 -6.772 -5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 99 111.251 -6.875 -4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 99 112.879 -8.999 -4.492 1.00 0.00 H new ATOM 0 HD3 ARG A 99 111.150 -9.203 -4.694 1.00 0.00 H new ATOM 0 HE ARG A 99 111.487 -9.828 -6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 99 114.337 -8.405 -5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 99 115.401 -8.834 -6.830 1.00 0.00 H new ATOM 0 HH21 ARG A 99 112.861 -10.372 -8.673 1.00 0.00 H new ATOM 0 HH22 ARG A 99 114.573 -9.938 -8.619 1.00 0.00 H new ATOM 1608 N ARG A 100 109.432 -5.356 -8.750 1.00 0.00 N ATOM 1609 CA ARG A 100 109.270 -4.732 -10.064 1.00 0.00 C ATOM 1610 C ARG A 100 108.929 -3.248 -9.929 1.00 0.00 C ATOM 1611 O ARG A 100 109.569 -2.392 -10.538 1.00 0.00 O ATOM 1612 CB ARG A 100 108.139 -5.428 -10.827 1.00 0.00 C ATOM 1613 CG ARG A 100 108.447 -6.925 -10.966 1.00 0.00 C ATOM 1614 CD ARG A 100 109.276 -7.164 -12.230 1.00 0.00 C ATOM 1615 NE ARG A 100 108.534 -6.728 -13.408 1.00 0.00 N ATOM 1616 CZ ARG A 100 109.039 -6.865 -14.630 1.00 0.00 C ATOM 1617 NH1 ARG A 100 110.217 -7.400 -14.792 1.00 0.00 N ATOM 1618 NH2 ARG A 100 108.354 -6.466 -15.667 1.00 0.00 N ATOM 0 H ARG A 100 108.795 -6.132 -8.572 1.00 0.00 H new ATOM 0 HA ARG A 100 110.212 -4.832 -10.604 1.00 0.00 H new ATOM 0 HB2 ARG A 100 107.195 -5.289 -10.301 1.00 0.00 H new ATOM 0 HB3 ARG A 100 108.023 -4.978 -11.813 1.00 0.00 H new ATOM 0 HG2 ARG A 100 108.992 -7.277 -10.090 1.00 0.00 H new ATOM 0 HG3 ARG A 100 107.519 -7.494 -11.015 1.00 0.00 H new ATOM 0 HD2 ARG A 100 110.219 -6.621 -12.163 1.00 0.00 H new ATOM 0 HD3 ARG A 100 109.523 -8.222 -12.317 1.00 0.00 H new ATOM 0 HE ARG A 100 107.611 -6.310 -13.292 1.00 0.00 H new ATOM 0 HH11 ARG A 100 110.751 -7.713 -13.981 1.00 0.00 H new ATOM 0 HH12 ARG A 100 110.605 -7.505 -15.730 1.00 0.00 H new ATOM 0 HH21 ARG A 100 107.432 -6.049 -15.539 1.00 0.00 H new ATOM 0 HH22 ARG A 100 108.741 -6.571 -16.605 1.00 0.00 H new ATOM 1632 N LEU A 101 107.915 -2.959 -9.122 1.00 0.00 N ATOM 1633 CA LEU A 101 107.493 -1.574 -8.915 1.00 0.00 C ATOM 1634 C LEU A 101 108.656 -0.767 -8.348 1.00 0.00 C ATOM 1635 O LEU A 101 108.820 0.412 -8.663 1.00 0.00 O ATOM 1636 CB LEU A 101 106.286 -1.490 -7.963 1.00 0.00 C ATOM 1637 CG LEU A 101 104.991 -2.084 -8.586 1.00 0.00 C ATOM 1638 CD1 LEU A 101 105.115 -2.287 -10.104 1.00 0.00 C ATOM 1639 CD2 LEU A 101 104.682 -3.430 -7.930 1.00 0.00 C ATOM 0 H LEU A 101 107.374 -3.653 -8.605 1.00 0.00 H new ATOM 0 HA LEU A 101 107.190 -1.162 -9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 101 106.518 -2.022 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 101 106.111 -0.448 -7.695 1.00 0.00 H new ATOM 0 HG LEU A 101 104.186 -1.371 -8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 101 104.186 -2.704 -10.492 1.00 0.00 H new ATOM 0 HD12 LEU A 101 105.312 -1.329 -10.584 1.00 0.00 H new ATOM 0 HD13 LEU A 101 105.936 -2.973 -10.313 1.00 0.00 H new ATOM 0 HD21 LEU A 101 103.774 -3.847 -8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 101 105.513 -4.115 -8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 101 104.538 -3.288 -6.859 1.00 0.00 H new ATOM 1651 N VAL A 102 109.466 -1.416 -7.520 1.00 0.00 N ATOM 1652 CA VAL A 102 110.625 -0.762 -6.923 1.00 0.00 C ATOM 1653 C VAL A 102 111.683 -0.466 -7.983 1.00 0.00 C ATOM 1654 O VAL A 102 112.263 0.618 -8.011 1.00 0.00 O ATOM 1655 CB VAL A 102 111.220 -1.663 -5.836 1.00 0.00 C ATOM 1656 CG1 VAL A 102 112.529 -1.061 -5.318 1.00 0.00 C ATOM 1657 CG2 VAL A 102 110.226 -1.784 -4.679 1.00 0.00 C ATOM 0 H VAL A 102 109.343 -2.391 -7.247 1.00 0.00 H new ATOM 0 HA VAL A 102 110.304 0.181 -6.482 1.00 0.00 H new ATOM 0 HB VAL A 102 111.420 -2.649 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 102 112.946 -1.707 -4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 102 113.239 -0.973 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 102 112.335 -0.074 -4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 102 110.646 -2.425 -3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 102 110.028 -0.795 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 102 109.295 -2.218 -5.043 1.00 0.00 H new ATOM 1667 N GLU A 103 111.943 -1.448 -8.841 1.00 0.00 N ATOM 1668 CA GLU A 103 112.948 -1.297 -9.889 1.00 0.00 C ATOM 1669 C GLU A 103 112.571 -0.193 -10.872 1.00 0.00 C ATOM 1670 O GLU A 103 113.401 0.649 -11.214 1.00 0.00 O ATOM 1671 CB GLU A 103 113.120 -2.620 -10.643 1.00 0.00 C ATOM 1672 CG GLU A 103 114.290 -2.510 -11.637 1.00 0.00 C ATOM 1673 CD GLU A 103 113.765 -2.392 -13.066 1.00 0.00 C ATOM 1674 OE1 GLU A 103 113.313 -1.316 -13.424 1.00 0.00 O ATOM 1675 OE2 GLU A 103 113.824 -3.378 -13.782 1.00 0.00 O ATOM 0 H GLU A 103 111.474 -2.354 -8.832 1.00 0.00 H new ATOM 0 HA GLU A 103 113.888 -1.020 -9.411 1.00 0.00 H new ATOM 0 HB2 GLU A 103 113.307 -3.429 -9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 103 112.201 -2.867 -11.175 1.00 0.00 H new ATOM 0 HG2 GLU A 103 114.901 -1.641 -11.394 1.00 0.00 H new ATOM 0 HG3 GLU A 103 114.933 -3.386 -11.550 1.00 0.00 H new ATOM 1682 N LEU A 104 111.324 -0.200 -11.336 1.00 0.00 N ATOM 1683 CA LEU A 104 110.881 0.814 -12.288 1.00 0.00 C ATOM 1684 C LEU A 104 110.921 2.203 -11.654 1.00 0.00 C ATOM 1685 O LEU A 104 111.303 3.175 -12.304 1.00 0.00 O ATOM 1686 CB LEU A 104 109.459 0.508 -12.781 1.00 0.00 C ATOM 1687 CG LEU A 104 109.493 -0.563 -13.884 1.00 0.00 C ATOM 1688 CD1 LEU A 104 109.607 -1.954 -13.257 1.00 0.00 C ATOM 1689 CD2 LEU A 104 108.202 -0.487 -14.706 1.00 0.00 C ATOM 0 H LEU A 104 110.614 -0.884 -11.074 1.00 0.00 H new ATOM 0 HA LEU A 104 111.561 0.796 -13.139 1.00 0.00 H new ATOM 0 HB2 LEU A 104 108.845 0.163 -11.949 1.00 0.00 H new ATOM 0 HB3 LEU A 104 108.996 1.418 -13.163 1.00 0.00 H new ATOM 0 HG LEU A 104 110.354 -0.385 -14.528 1.00 0.00 H new ATOM 0 HD11 LEU A 104 109.630 -2.707 -14.044 1.00 0.00 H new ATOM 0 HD12 LEU A 104 110.523 -2.014 -12.670 1.00 0.00 H new ATOM 0 HD13 LEU A 104 108.749 -2.133 -12.610 1.00 0.00 H new ATOM 0 HD21 LEU A 104 108.224 -1.245 -15.489 1.00 0.00 H new ATOM 0 HD22 LEU A 104 107.345 -0.662 -14.055 1.00 0.00 H new ATOM 0 HD23 LEU A 104 108.117 0.500 -15.160 1.00 0.00 H new ATOM 1701 N ASN A 105 110.521 2.296 -10.390 1.00 0.00 N ATOM 1702 CA ASN A 105 110.516 3.580 -9.699 1.00 0.00 C ATOM 1703 C ASN A 105 111.914 4.199 -9.709 1.00 0.00 C ATOM 1704 O ASN A 105 112.076 5.378 -10.025 1.00 0.00 O ATOM 1705 CB ASN A 105 110.037 3.392 -8.252 1.00 0.00 C ATOM 1706 CG ASN A 105 108.631 3.962 -8.079 1.00 0.00 C ATOM 1707 OD1 ASN A 105 108.326 4.563 -7.049 1.00 0.00 O ATOM 1708 ND2 ASN A 105 107.753 3.809 -9.033 1.00 0.00 N ATOM 0 H ASN A 105 110.200 1.507 -9.829 1.00 0.00 H new ATOM 0 HA ASN A 105 109.834 4.253 -10.219 1.00 0.00 H new ATOM 0 HB2 ASN A 105 110.041 2.333 -7.996 1.00 0.00 H new ATOM 0 HB3 ASN A 105 110.724 3.888 -7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 105 106.812 4.188 -8.926 1.00 0.00 H new ATOM 0 HD22 ASN A 105 108.008 3.311 -9.886 1.00 0.00 H new ATOM 1715 N LEU A 106 112.918 3.400 -9.362 1.00 0.00 N ATOM 1716 CA LEU A 106 114.293 3.890 -9.339 1.00 0.00 C ATOM 1717 C LEU A 106 114.766 4.219 -10.752 1.00 0.00 C ATOM 1718 O LEU A 106 115.630 5.074 -10.944 1.00 0.00 O ATOM 1719 CB LEU A 106 115.217 2.835 -8.723 1.00 0.00 C ATOM 1720 CG LEU A 106 114.783 2.539 -7.284 1.00 0.00 C ATOM 1721 CD1 LEU A 106 115.637 1.401 -6.718 1.00 0.00 C ATOM 1722 CD2 LEU A 106 114.962 3.791 -6.416 1.00 0.00 C ATOM 0 H LEU A 106 112.809 2.421 -9.096 1.00 0.00 H new ATOM 0 HA LEU A 106 114.325 4.796 -8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 106 115.187 1.921 -9.317 1.00 0.00 H new ATOM 0 HB3 LEU A 106 116.248 3.189 -8.736 1.00 0.00 H new ATOM 0 HG LEU A 106 113.733 2.247 -7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 106 115.329 1.190 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 106 115.504 0.508 -7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 106 116.687 1.694 -6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 106 114.651 3.573 -5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 106 116.010 4.090 -6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 106 114.352 4.601 -6.816 1.00 0.00 H new ATOM 1734 N GLY A 107 114.189 3.536 -11.739 1.00 0.00 N ATOM 1735 CA GLY A 107 114.555 3.767 -13.134 1.00 0.00 C ATOM 1736 C GLY A 107 115.498 2.679 -13.639 1.00 0.00 C ATOM 1737 O GLY A 107 115.105 1.824 -14.434 1.00 0.00 O ATOM 0 H GLY A 107 113.472 2.824 -11.600 1.00 0.00 H new ATOM 0 HA2 GLY A 107 113.656 3.789 -13.751 1.00 0.00 H new ATOM 0 HA3 GLY A 107 115.033 4.742 -13.232 1.00 0.00 H new ATOM 1741 N ASP A 108 116.743 2.716 -13.176 1.00 0.00 N ATOM 1742 CA ASP A 108 117.733 1.728 -13.591 1.00 0.00 C ATOM 1743 C ASP A 108 118.883 1.668 -12.590 1.00 0.00 C ATOM 1744 O ASP A 108 120.004 2.075 -12.893 1.00 0.00 O ATOM 1745 CB ASP A 108 118.278 2.085 -14.975 1.00 0.00 C ATOM 1746 CG ASP A 108 117.204 1.852 -16.032 1.00 0.00 C ATOM 1747 OD1 ASP A 108 116.707 0.740 -16.108 1.00 0.00 O ATOM 1748 OD2 ASP A 108 116.896 2.788 -16.749 1.00 0.00 O ATOM 0 H ASP A 108 117.089 3.414 -12.518 1.00 0.00 H new ATOM 0 HA ASP A 108 117.250 0.752 -13.631 1.00 0.00 H new ATOM 0 HB2 ASP A 108 118.597 3.127 -14.992 1.00 0.00 H new ATOM 0 HB3 ASP A 108 119.156 1.479 -15.197 1.00 0.00 H new ATOM 1753 N GLU A 109 118.595 1.153 -11.397 1.00 0.00 N ATOM 1754 CA GLU A 109 119.610 1.037 -10.352 1.00 0.00 C ATOM 1755 C GLU A 109 119.766 -0.418 -9.923 1.00 0.00 C ATOM 1756 O GLU A 109 119.160 -1.317 -10.509 1.00 0.00 O ATOM 1757 CB GLU A 109 119.212 1.891 -9.141 1.00 0.00 C ATOM 1758 CG GLU A 109 119.635 3.348 -9.371 1.00 0.00 C ATOM 1759 CD GLU A 109 121.100 3.538 -8.986 1.00 0.00 C ATOM 1760 OE1 GLU A 109 121.901 2.689 -9.341 1.00 0.00 O ATOM 1761 OE2 GLU A 109 121.398 4.529 -8.341 1.00 0.00 O ATOM 0 H GLU A 109 117.672 0.811 -11.130 1.00 0.00 H new ATOM 0 HA GLU A 109 120.561 1.392 -10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 109 118.135 1.836 -8.984 1.00 0.00 H new ATOM 0 HB3 GLU A 109 119.686 1.503 -8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 109 119.489 3.616 -10.417 1.00 0.00 H new ATOM 0 HG3 GLU A 109 119.007 4.014 -8.780 1.00 0.00 H new ATOM 1768 N GLU A 110 120.582 -0.644 -8.898 1.00 0.00 N ATOM 1769 CA GLU A 110 120.809 -1.996 -8.399 1.00 0.00 C ATOM 1770 C GLU A 110 119.624 -2.460 -7.556 1.00 0.00 C ATOM 1771 O GLU A 110 118.470 -2.305 -7.957 1.00 0.00 O ATOM 1772 CB GLU A 110 122.088 -2.034 -7.562 1.00 0.00 C ATOM 1773 CG GLU A 110 123.228 -1.373 -8.343 1.00 0.00 C ATOM 1774 CD GLU A 110 124.567 -1.701 -7.693 1.00 0.00 C ATOM 1775 OE1 GLU A 110 124.751 -2.844 -7.306 1.00 0.00 O ATOM 1776 OE2 GLU A 110 125.389 -0.806 -7.591 1.00 0.00 O ATOM 0 H GLU A 110 121.093 0.085 -8.400 1.00 0.00 H new ATOM 0 HA GLU A 110 120.916 -2.668 -9.250 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.932 -1.515 -6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 110 122.347 -3.065 -7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.221 -1.721 -9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.083 -0.293 -8.370 1.00 0.00 H new ATOM 1783 N LEU A 111 119.916 -3.032 -6.391 1.00 0.00 N ATOM 1784 CA LEU A 111 118.864 -3.520 -5.500 1.00 0.00 C ATOM 1785 C LEU A 111 119.081 -2.997 -4.082 1.00 0.00 C ATOM 1786 O LEU A 111 119.983 -2.197 -3.834 1.00 0.00 O ATOM 1787 CB LEU A 111 118.863 -5.060 -5.493 1.00 0.00 C ATOM 1788 CG LEU A 111 117.480 -5.594 -5.884 1.00 0.00 C ATOM 1789 CD1 LEU A 111 117.282 -5.458 -7.396 1.00 0.00 C ATOM 1790 CD2 LEU A 111 117.377 -7.070 -5.492 1.00 0.00 C ATOM 0 H LEU A 111 120.865 -3.169 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 111 117.902 -3.158 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 111 119.614 -5.434 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 111 119.135 -5.426 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 111 116.712 -5.020 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 111 116.298 -5.839 -7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 111 117.357 -4.408 -7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 111 118.050 -6.030 -7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 111 116.395 -7.452 -5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 111 118.148 -7.639 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 111 117.515 -7.171 -4.416 1.00 0.00 H new ATOM 1802 N LEU A 112 118.246 -3.458 -3.156 1.00 0.00 N ATOM 1803 CA LEU A 112 118.352 -3.036 -1.763 1.00 0.00 C ATOM 1804 C LEU A 112 118.067 -1.543 -1.625 1.00 0.00 C ATOM 1805 O LEU A 112 118.144 -0.988 -0.529 1.00 0.00 O ATOM 1806 CB LEU A 112 119.759 -3.345 -1.231 1.00 0.00 C ATOM 1807 CG LEU A 112 119.696 -3.645 0.274 1.00 0.00 C ATOM 1808 CD1 LEU A 112 119.361 -5.123 0.495 1.00 0.00 C ATOM 1809 CD2 LEU A 112 121.051 -3.335 0.915 1.00 0.00 C ATOM 0 H LEU A 112 117.493 -4.120 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 112 117.613 -3.585 -1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 112 120.179 -4.198 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 112 120.420 -2.498 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 112 118.923 -3.026 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 112 119.318 -5.330 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 112 118.396 -5.349 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 112 120.131 -5.743 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 112 121.006 -3.548 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 112 121.821 -3.953 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 112 121.292 -2.283 0.765 1.00 0.00 H new ATOM 1821 N GLU A 113 117.740 -0.897 -2.740 1.00 0.00 N ATOM 1822 CA GLU A 113 117.450 0.533 -2.722 1.00 0.00 C ATOM 1823 C GLU A 113 118.444 1.267 -1.823 1.00 0.00 C ATOM 1824 O GLU A 113 119.654 1.091 -1.959 1.00 0.00 O ATOM 1825 CB GLU A 113 116.025 0.771 -2.217 1.00 0.00 C ATOM 1826 CG GLU A 113 115.066 -0.201 -2.908 1.00 0.00 C ATOM 1827 CD GLU A 113 115.175 -1.584 -2.273 1.00 0.00 C ATOM 1828 OE1 GLU A 113 114.891 -1.695 -1.091 1.00 0.00 O ATOM 1829 OE2 GLU A 113 115.538 -2.512 -2.978 1.00 0.00 O ATOM 0 H GLU A 113 117.670 -1.335 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 113 117.542 0.919 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 113 115.983 0.632 -1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 113 115.724 1.799 -2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 113 114.043 0.166 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 113 115.300 -0.261 -3.971 1.00 0.00 H new ATOM 1836 N ARG A 114 117.918 2.083 -0.906 1.00 0.00 N ATOM 1837 CA ARG A 114 118.749 2.849 0.032 1.00 0.00 C ATOM 1838 C ARG A 114 120.214 2.877 -0.402 1.00 0.00 C ATOM 1839 O ARG A 114 120.935 1.893 -0.234 1.00 0.00 O ATOM 1840 CB ARG A 114 118.650 2.237 1.432 1.00 0.00 C ATOM 1841 CG ARG A 114 117.205 2.322 1.935 1.00 0.00 C ATOM 1842 CD ARG A 114 117.182 2.162 3.457 1.00 0.00 C ATOM 1843 NE ARG A 114 118.136 1.140 3.874 1.00 0.00 N ATOM 1844 CZ ARG A 114 117.796 -0.143 3.918 1.00 0.00 C ATOM 1845 NH1 ARG A 114 116.593 -0.510 3.574 1.00 0.00 N ATOM 1846 NH2 ARG A 114 118.665 -1.037 4.305 1.00 0.00 N ATOM 0 H ARG A 114 116.915 2.232 -0.791 1.00 0.00 H new ATOM 0 HA ARG A 114 118.377 3.873 0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 114 118.976 1.197 1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 114 119.315 2.764 2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 114 116.767 3.279 1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 114 116.600 1.545 1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 114 117.425 3.112 3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 114 116.179 1.889 3.785 1.00 0.00 H new ATOM 0 HE ARG A 114 119.082 1.416 4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 114 115.914 0.188 3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 114 116.331 -1.495 3.608 1.00 0.00 H new ATOM 0 HH21 ARG A 114 119.606 -0.750 4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 114 118.403 -2.022 4.338 1.00 0.00 H new ATOM 1860 N GLU A 115 120.650 4.004 -0.955 1.00 0.00 N ATOM 1861 CA GLU A 115 122.033 4.126 -1.399 1.00 0.00 C ATOM 1862 C GLU A 115 122.410 5.586 -1.643 1.00 0.00 C ATOM 1863 O GLU A 115 121.609 6.377 -2.135 1.00 0.00 O ATOM 1864 CB GLU A 115 122.239 3.316 -2.685 1.00 0.00 C ATOM 1865 CG GLU A 115 123.678 2.795 -2.745 1.00 0.00 C ATOM 1866 CD GLU A 115 123.921 2.092 -4.077 1.00 0.00 C ATOM 1867 OE1 GLU A 115 123.263 1.096 -4.327 1.00 0.00 O ATOM 1868 OE2 GLU A 115 124.763 2.560 -4.826 1.00 0.00 O ATOM 0 H GLU A 115 120.076 4.834 -1.105 1.00 0.00 H new ATOM 0 HA GLU A 115 122.678 3.735 -0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 115 121.539 2.481 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 115 122.031 3.939 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 115 124.378 3.622 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 115 123.859 2.104 -1.921 1.00 0.00 H new ATOM 1875 N LEU A 116 123.646 5.922 -1.296 1.00 0.00 N ATOM 1876 CA LEU A 116 124.159 7.276 -1.474 1.00 0.00 C ATOM 1877 C LEU A 116 123.988 7.741 -2.919 1.00 0.00 C ATOM 1878 O LEU A 116 123.733 8.917 -3.179 1.00 0.00 O ATOM 1879 CB LEU A 116 125.650 7.307 -1.103 1.00 0.00 C ATOM 1880 CG LEU A 116 126.103 8.752 -0.815 1.00 0.00 C ATOM 1881 CD1 LEU A 116 127.159 8.746 0.294 1.00 0.00 C ATOM 1882 CD2 LEU A 116 126.711 9.369 -2.081 1.00 0.00 C ATOM 0 H LEU A 116 124.316 5.271 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 116 123.595 7.947 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 116 125.826 6.683 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 116 126.242 6.889 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 116 125.240 9.339 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 116 127.479 9.768 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 116 126.734 8.312 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 116 128.017 8.154 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 116 127.029 10.390 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 116 127.571 8.778 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 116 125.965 9.377 -2.876 1.00 0.00 H new ATOM 1894 N ALA A 117 124.126 6.806 -3.852 1.00 0.00 N ATOM 1895 CA ALA A 117 123.986 7.105 -5.275 1.00 0.00 C ATOM 1896 C ALA A 117 122.546 7.451 -5.654 1.00 0.00 C ATOM 1897 O ALA A 117 122.315 8.083 -6.678 1.00 0.00 O ATOM 1898 CB ALA A 117 124.497 5.942 -6.127 1.00 0.00 C ATOM 0 H ALA A 117 124.336 5.829 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 117 124.596 7.985 -5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 117 124.383 6.187 -7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 117 125.550 5.765 -5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 117 123.923 5.044 -5.899 1.00 0.00 H new ATOM 1904 N LEU A 118 121.574 7.006 -4.869 1.00 0.00 N ATOM 1905 CA LEU A 118 120.179 7.269 -5.220 1.00 0.00 C ATOM 1906 C LEU A 118 119.947 8.766 -5.431 1.00 0.00 C ATOM 1907 O LEU A 118 119.244 9.153 -6.365 1.00 0.00 O ATOM 1908 CB LEU A 118 119.244 6.757 -4.119 1.00 0.00 C ATOM 1909 CG LEU A 118 119.078 5.237 -4.238 1.00 0.00 C ATOM 1910 CD1 LEU A 118 118.316 4.712 -3.016 1.00 0.00 C ATOM 1911 CD2 LEU A 118 118.292 4.889 -5.513 1.00 0.00 C ATOM 0 H LEU A 118 121.715 6.476 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 118 119.961 6.743 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 118 119.648 7.011 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 118 118.273 7.245 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 118 120.064 4.775 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 118 118.197 3.632 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 118 118.875 4.948 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 118 117.334 5.183 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 118 118.180 3.807 -5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 118 117.307 5.354 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 118 118.831 5.259 -6.385 1.00 0.00 H new ATOM 1923 N LEU A 119 120.497 9.611 -4.565 1.00 0.00 N ATOM 1924 CA LEU A 119 120.274 11.049 -4.702 1.00 0.00 C ATOM 1925 C LEU A 119 120.693 11.519 -6.097 1.00 0.00 C ATOM 1926 O LEU A 119 120.309 12.603 -6.535 1.00 0.00 O ATOM 1927 CB LEU A 119 121.079 11.807 -3.634 1.00 0.00 C ATOM 1928 CG LEU A 119 120.188 12.109 -2.425 1.00 0.00 C ATOM 1929 CD1 LEU A 119 119.763 10.797 -1.763 1.00 0.00 C ATOM 1930 CD2 LEU A 119 120.968 12.957 -1.418 1.00 0.00 C ATOM 0 H LEU A 119 121.086 9.337 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 119 119.212 11.254 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 119 121.938 11.212 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 119 121.468 12.736 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 119 119.303 12.654 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 119 119.129 11.012 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 119 119.209 10.191 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 119 120.648 10.252 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 119 120.335 13.173 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 119 121.853 12.411 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 119 121.272 13.892 -1.888 1.00 0.00 H new ATOM 1942 N VAL A 120 121.470 10.698 -6.791 1.00 0.00 N ATOM 1943 CA VAL A 120 121.927 11.033 -8.137 1.00 0.00 C ATOM 1944 C VAL A 120 120.739 11.299 -9.058 1.00 0.00 C ATOM 1945 O VAL A 120 120.910 11.627 -10.231 1.00 0.00 O ATOM 1946 CB VAL A 120 122.698 9.836 -8.704 1.00 0.00 C ATOM 1947 CG1 VAL A 120 123.064 10.104 -10.169 1.00 0.00 C ATOM 1948 CG2 VAL A 120 123.982 9.625 -7.888 1.00 0.00 C ATOM 0 H VAL A 120 121.798 9.796 -6.446 1.00 0.00 H new ATOM 0 HA VAL A 120 122.553 11.923 -8.082 1.00 0.00 H new ATOM 0 HB VAL A 120 122.075 8.944 -8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 120 123.612 9.251 -10.569 1.00 0.00 H new ATOM 0 HG12 VAL A 120 122.154 10.255 -10.750 1.00 0.00 H new ATOM 0 HG13 VAL A 120 123.686 10.997 -10.231 1.00 0.00 H new ATOM 0 HG21 VAL A 120 124.532 8.774 -8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 120 124.602 10.519 -7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 120 123.724 9.432 -6.847 1.00 0.00 H new ATOM 1958 N SER A 121 119.534 11.135 -8.519 1.00 0.00 N ATOM 1959 CA SER A 121 118.317 11.336 -9.299 1.00 0.00 C ATOM 1960 C SER A 121 117.674 12.689 -9.005 1.00 0.00 C ATOM 1961 O SER A 121 117.095 13.311 -9.896 1.00 0.00 O ATOM 1962 CB SER A 121 117.319 10.222 -8.981 1.00 0.00 C ATOM 1963 OG SER A 121 117.141 10.142 -7.574 1.00 0.00 O ATOM 0 H SER A 121 119.375 10.864 -7.549 1.00 0.00 H new ATOM 0 HA SER A 121 118.588 11.313 -10.355 1.00 0.00 H new ATOM 0 HB2 SER A 121 116.365 10.422 -9.469 1.00 0.00 H new ATOM 0 HB3 SER A 121 117.683 9.270 -9.368 1.00 0.00 H new ATOM 0 HG SER A 121 117.767 9.486 -7.202 1.00 0.00 H new ATOM 1969 N ALA A 122 117.758 13.137 -7.753 1.00 0.00 N ATOM 1970 CA ALA A 122 117.154 14.414 -7.368 1.00 0.00 C ATOM 1971 C ALA A 122 118.178 15.363 -6.758 1.00 0.00 C ATOM 1972 O ALA A 122 118.730 16.216 -7.450 1.00 0.00 O ATOM 1973 CB ALA A 122 116.025 14.168 -6.364 1.00 0.00 C ATOM 0 H ALA A 122 118.231 12.643 -6.996 1.00 0.00 H new ATOM 0 HA ALA A 122 116.759 14.880 -8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 122 115.577 15.120 -6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 122 115.266 13.532 -6.819 1.00 0.00 H new ATOM 0 HB3 ALA A 122 116.427 13.677 -5.478 1.00 0.00 H new ATOM 1979 N HIS A 123 118.427 15.196 -5.464 1.00 0.00 N ATOM 1980 CA HIS A 123 119.382 16.030 -4.737 1.00 0.00 C ATOM 1981 C HIS A 123 119.358 17.483 -5.224 1.00 0.00 C ATOM 1982 O HIS A 123 118.780 17.804 -6.261 1.00 0.00 O ATOM 1983 CB HIS A 123 120.799 15.439 -4.869 1.00 0.00 C ATOM 1984 CG HIS A 123 121.796 16.509 -5.250 1.00 0.00 C ATOM 1985 ND1 HIS A 123 121.867 17.360 -6.327 1.00 0.00 N flip ATOM 1986 CD2 HIS A 123 122.907 16.792 -4.472 1.00 0.00 C flip ATOM 1987 CE1 HIS A 123 123.002 18.156 -6.221 1.00 0.00 C flip ATOM 1988 NE2 HIS A 123 123.593 17.774 -5.087 1.00 0.00 N flip ATOM 0 H HIS A 123 117.976 14.483 -4.890 1.00 0.00 H new ATOM 0 HA HIS A 123 119.090 16.037 -3.687 1.00 0.00 H new ATOM 0 HB2 HIS A 123 121.095 14.980 -3.926 1.00 0.00 H new ATOM 0 HB3 HIS A 123 120.800 14.651 -5.622 1.00 0.00 H new ATOM 0 HD2 HIS A 123 123.174 16.312 -3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 123 123.334 18.920 -6.909 1.00 0.00 H new ATOM 0 HE2 HIS A 123 124.459 18.177 -4.730 1.00 0.00 H new ATOM 1996 N ASP A 124 119.992 18.359 -4.455 1.00 0.00 N ATOM 1997 CA ASP A 124 120.045 19.773 -4.806 1.00 0.00 C ATOM 1998 C ASP A 124 121.155 20.472 -4.026 1.00 0.00 C ATOM 1999 O ASP A 124 121.815 21.371 -4.548 1.00 0.00 O ATOM 2000 CB ASP A 124 118.701 20.440 -4.506 1.00 0.00 C ATOM 2001 CG ASP A 124 118.155 19.934 -3.174 1.00 0.00 C ATOM 2002 OD1 ASP A 124 118.939 19.792 -2.250 1.00 0.00 O ATOM 2003 OD2 ASP A 124 116.961 19.696 -3.097 1.00 0.00 O ATOM 0 H ASP A 124 120.474 18.118 -3.589 1.00 0.00 H new ATOM 0 HA ASP A 124 120.256 19.858 -5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 124 118.822 21.523 -4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 124 117.992 20.224 -5.305 1.00 0.00 H new ATOM 2008 N ASP A 125 121.356 20.044 -2.781 1.00 0.00 N ATOM 2009 CA ASP A 125 122.393 20.619 -1.921 1.00 0.00 C ATOM 2010 C ASP A 125 122.743 22.044 -2.345 1.00 0.00 C ATOM 2011 O ASP A 125 123.598 22.191 -3.203 1.00 0.00 O ATOM 2012 CB ASP A 125 123.650 19.750 -1.970 1.00 0.00 C ATOM 2013 CG ASP A 125 124.719 20.331 -1.050 1.00 0.00 C ATOM 2014 OD1 ASP A 125 124.549 20.238 0.155 1.00 0.00 O ATOM 2015 OD2 ASP A 125 125.689 20.862 -1.564 1.00 0.00 O ATOM 2016 OXT ASP A 125 122.154 22.966 -1.806 1.00 0.00 O ATOM 0 H ASP A 125 120.814 19.299 -2.343 1.00 0.00 H new ATOM 0 HA ASP A 125 122.003 20.651 -0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 125 123.410 18.731 -1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 125 124.027 19.697 -2.992 1.00 0.00 H new TER 2021 ASP A 125 HETATM 2022 P1 C2E A 501 106.017 3.465 13.146 1.00 0.00 P HETATM 2023 O2P C2E A 501 106.165 2.667 14.383 1.00 0.00 O HETATM 2024 O1P C2E A 501 104.687 3.994 12.762 1.00 0.00 O HETATM 2025 O5' C2E A 501 106.594 2.597 11.915 1.00 0.00 O HETATM 2026 C5' C2E A 501 105.756 2.290 10.800 1.00 0.00 C HETATM 2027 C4' C2E A 501 106.412 1.299 9.833 1.00 0.00 C HETATM 2028 O4' C2E A 501 105.385 0.513 9.208 1.00 0.00 O HETATM 2029 C3' C2E A 501 107.223 1.957 8.701 1.00 0.00 C HETATM 2030 O3' C2E A 501 108.643 1.920 8.953 1.00 0.00 O HETATM 2031 C2' C2E A 501 106.906 1.081 7.502 1.00 0.00 C HETATM 2032 O2' C2E A 501 107.778 -0.053 7.435 1.00 0.00 O HETATM 2033 C1' C2E A 501 105.476 0.671 7.790 1.00 0.00 C HETATM 2034 N9 C2E A 501 104.482 1.683 7.388 1.00 0.00 N HETATM 2035 C8 C2E A 501 103.668 2.450 8.172 1.00 0.00 C HETATM 2036 N7 C2E A 501 102.916 3.290 7.529 1.00 0.00 N HETATM 2037 C5 C2E A 501 103.251 3.062 6.196 1.00 0.00 C HETATM 2038 C6 C2E A 501 102.757 3.677 5.017 1.00 0.00 C HETATM 2039 O6 C2E A 501 101.918 4.562 4.919 1.00 0.00 O HETATM 2040 N1 C2E A 501 103.353 3.155 3.879 1.00 0.00 N HETATM 2041 C2 C2E A 501 104.310 2.165 3.872 1.00 0.00 C HETATM 2042 N2 C2E A 501 104.758 1.785 2.675 1.00 0.00 N HETATM 2043 N3 C2E A 501 104.781 1.586 4.980 1.00 0.00 N HETATM 2044 C4 C2E A 501 104.209 2.079 6.101 1.00 0.00 C HETATM 2045 P11 C2E A 501 109.272 1.629 10.412 1.00 0.00 P HETATM 2046 O21 C2E A 501 108.568 0.471 11.007 1.00 0.00 O HETATM 2047 O11 C2E A 501 110.745 1.603 10.281 1.00 0.00 O HETATM 2048 O5A C2E A 501 108.868 2.947 11.239 1.00 0.00 O HETATM 2049 C5A C2E A 501 109.149 4.244 10.710 1.00 0.00 C HETATM 2050 C4A C2E A 501 108.821 5.338 11.718 1.00 0.00 C HETATM 2051 O4A C2E A 501 109.257 6.613 11.226 1.00 0.00 O HETATM 2052 C3A C2E A 501 107.341 5.470 12.048 1.00 0.00 C HETATM 2053 O3A C2E A 501 107.044 4.702 13.218 1.00 0.00 O HETATM 2054 C2A C2E A 501 107.193 6.943 12.356 1.00 0.00 C HETATM 2055 O2A C2E A 501 107.518 7.222 13.723 1.00 0.00 O HETATM 2056 C1A C2E A 501 108.206 7.573 11.408 1.00 0.00 C HETATM 2057 N91 C2E A 501 107.694 7.895 10.064 1.00 0.00 N HETATM 2058 C81 C2E A 501 108.035 7.332 8.866 1.00 0.00 C HETATM 2059 N71 C2E A 501 107.459 7.856 7.827 1.00 0.00 N HETATM 2060 C51 C2E A 501 106.655 8.852 8.375 1.00 0.00 C HETATM 2061 C61 C2E A 501 105.779 9.767 7.733 1.00 0.00 C HETATM 2062 O61 C2E A 501 105.539 9.878 6.533 1.00 0.00 O HETATM 2063 N11 C2E A 501 105.158 10.603 8.646 1.00 0.00 N HETATM 2064 C21 C2E A 501 105.349 10.567 10.014 1.00 0.00 C HETATM 2065 N21 C2E A 501 104.656 11.453 10.731 1.00 0.00 N HETATM 2066 N31 C2E A 501 106.173 9.708 10.624 1.00 0.00 N HETATM 2067 C41 C2E A 501 106.790 8.883 9.747 1.00 0.00 C HETATM 0 HO2A C2E A 501 107.274 6.454 14.281 1.00 0.00 H new HETATM 0 HO2' C2E A 501 107.246 -0.868 7.320 1.00 0.00 H new HETATM 0 HN24 C2E A 501 104.028 12.107 10.264 1.00 0.00 H new HETATM 0 HN23 C2E A 501 104.754 11.476 11.746 1.00 0.00 H new HETATM 0 HN22 C2E A 501 105.468 1.056 2.604 1.00 0.00 H new HETATM 0 HN21 C2E A 501 104.391 2.224 1.830 1.00 0.00 H new HETATM 0 HN11 C2E A 501 104.509 11.300 8.280 1.00 0.00 H new HETATM 0 H512 C2E A 501 110.202 4.306 10.433 1.00 0.00 H new HETATM 0 H511 C2E A 501 108.570 4.401 9.800 1.00 0.00 H new HETATM 0 H5'2 C2E A 501 104.815 1.874 11.160 1.00 0.00 H new HETATM 0 H5'1 C2E A 501 105.515 3.209 10.266 1.00 0.00 H new HETATM 0 HN1 C2E A 501 103.060 3.533 2.978 1.00 0.00 H new HETATM 0 H81 C2E A 501 108.739 6.504 8.789 1.00 0.00 H new HETATM 0 H8 C2E A 501 103.651 2.363 9.258 1.00 0.00 H new HETATM 0 H4A C2E A 501 109.344 5.041 12.627 1.00 0.00 H new HETATM 0 H4' C2E A 501 107.102 0.709 10.436 1.00 0.00 H new HETATM 0 H3A C2E A 501 106.682 5.123 11.252 1.00 0.00 H new HETATM 0 H3' C2E A 501 106.969 3.010 8.578 1.00 0.00 H new HETATM 0 H2A C2E A 501 106.178 7.318 12.224 1.00 0.00 H new HETATM 0 H2' C2E A 501 107.036 1.581 6.542 1.00 0.00 H new HETATM 0 H1A C2E A 501 108.511 8.516 11.862 1.00 0.00 H new HETATM 0 H1' C2E A 501 105.256 -0.234 7.224 1.00 0.00 H new HETATM 2090 P1 C2E A 502 101.993 12.338 2.460 1.00 0.00 P HETATM 2091 O2P C2E A 502 100.761 12.974 1.944 1.00 0.00 O HETATM 2092 O1P C2E A 502 102.488 11.085 1.849 1.00 0.00 O HETATM 2093 O5' C2E A 502 101.808 12.090 4.041 1.00 0.00 O HETATM 2094 C5' C2E A 502 100.987 11.020 4.522 1.00 0.00 C HETATM 2095 C4' C2E A 502 100.739 11.136 6.026 1.00 0.00 C HETATM 2096 O4' C2E A 502 100.475 9.839 6.586 1.00 0.00 O HETATM 2097 C3' C2E A 502 101.916 11.694 6.804 1.00 0.00 C HETATM 2098 O3' C2E A 502 101.871 13.124 6.814 1.00 0.00 O HETATM 2099 C2' C2E A 502 101.648 11.146 8.188 1.00 0.00 C HETATM 2100 O2' C2E A 502 100.662 11.925 8.872 1.00 0.00 O HETATM 2101 C1' C2E A 502 101.125 9.756 7.866 1.00 0.00 C HETATM 2102 N9 C2E A 502 102.181 8.727 7.780 1.00 0.00 N HETATM 2103 C8 C2E A 502 102.855 8.250 6.688 1.00 0.00 C HETATM 2104 N7 C2E A 502 103.743 7.338 6.947 1.00 0.00 N HETATM 2105 C5 C2E A 502 103.656 7.183 8.325 1.00 0.00 C HETATM 2106 C6 C2E A 502 104.380 6.318 9.189 1.00 0.00 C HETATM 2107 O6 C2E A 502 105.259 5.509 8.896 1.00 0.00 O HETATM 2108 N1 C2E A 502 103.986 6.470 10.510 1.00 0.00 N HETATM 2109 C2 C2E A 502 103.017 7.345 10.952 1.00 0.00 C HETATM 2110 N2 C2E A 502 102.773 7.337 12.263 1.00 0.00 N HETATM 2111 N3 C2E A 502 102.333 8.163 10.143 1.00 0.00 N HETATM 2112 C4 C2E A 502 102.704 8.028 8.847 1.00 0.00 C HETATM 2113 P11 C2E A 502 102.936 13.974 7.672 1.00 0.00 P HETATM 2114 O21 C2E A 502 102.193 14.935 8.516 1.00 0.00 O HETATM 2115 O11 C2E A 502 103.894 13.033 8.292 1.00 0.00 O HETATM 2116 O5A C2E A 502 103.709 14.799 6.529 1.00 0.00 O HETATM 2117 C5A C2E A 502 103.089 15.026 5.261 1.00 0.00 C HETATM 2118 C4A C2E A 502 104.090 14.890 4.114 1.00 0.00 C HETATM 2119 O4A C2E A 502 105.413 15.151 4.591 1.00 0.00 O HETATM 2120 C3A C2E A 502 104.133 13.509 3.475 1.00 0.00 C HETATM 2121 O3A C2E A 502 103.181 13.428 2.409 1.00 0.00 O HETATM 2122 C2A C2E A 502 105.546 13.457 2.924 1.00 0.00 C HETATM 2123 O2A C2E A 502 105.639 14.099 1.647 1.00 0.00 O HETATM 2124 C1A C2E A 502 106.323 14.215 3.994 1.00 0.00 C HETATM 2125 N91 C2E A 502 106.834 13.342 5.057 1.00 0.00 N HETATM 2126 C81 C2E A 502 106.456 13.251 6.367 1.00 0.00 C HETATM 2127 N71 C2E A 502 107.066 12.334 7.048 1.00 0.00 N HETATM 2128 C51 C2E A 502 107.935 11.775 6.120 1.00 0.00 C HETATM 2129 C61 C2E A 502 108.871 10.733 6.281 1.00 0.00 C HETATM 2130 O61 C2E A 502 109.097 10.070 7.286 1.00 0.00 O HETATM 2131 N11 C2E A 502 109.562 10.482 5.099 1.00 0.00 N HETATM 2132 C21 C2E A 502 109.362 11.146 3.910 1.00 0.00 C HETATM 2133 N21 C2E A 502 110.116 10.759 2.882 1.00 0.00 N HETATM 2134 N31 C2E A 502 108.472 12.126 3.756 1.00 0.00 N HETATM 2135 C41 C2E A 502 107.800 12.387 4.899 1.00 0.00 C HETATM 0 HO2A C2E A 502 104.739 14.241 1.286 1.00 0.00 H new HETATM 0 HO2' C2E A 502 100.525 12.770 8.396 1.00 0.00 H new HETATM 0 HN24 C2E A 502 110.796 10.008 3.002 1.00 0.00 H new HETATM 0 HN23 C2E A 502 110.014 11.214 1.975 1.00 0.00 H new HETATM 0 HN22 C2E A 502 102.067 7.961 12.654 1.00 0.00 H new HETATM 0 HN21 C2E A 502 103.292 6.707 12.875 1.00 0.00 H new HETATM 0 HN11 C2E A 502 110.271 9.749 5.115 1.00 0.00 H new HETATM 0 H512 C2E A 502 102.275 14.315 5.121 1.00 0.00 H new HETATM 0 H511 C2E A 502 102.648 16.023 5.244 1.00 0.00 H new HETATM 0 H5'2 C2E A 502 100.034 11.026 3.994 1.00 0.00 H new HETATM 0 H5'1 C2E A 502 101.467 10.066 4.304 1.00 0.00 H new HETATM 0 HN1 C2E A 502 104.449 5.889 11.209 1.00 0.00 H new HETATM 0 H81 C2E A 502 105.699 13.901 6.805 1.00 0.00 H new HETATM 0 H8 C2E A 502 102.661 8.609 5.677 1.00 0.00 H new HETATM 0 H4A C2E A 502 103.754 15.607 3.365 1.00 0.00 H new HETATM 0 H4' C2E A 502 99.895 11.819 6.117 1.00 0.00 H new HETATM 0 H3A C2E A 502 103.896 12.695 4.161 1.00 0.00 H new HETATM 0 H3' C2E A 502 102.892 11.427 6.398 1.00 0.00 H new HETATM 0 H2A C2E A 502 105.914 12.447 2.745 1.00 0.00 H new HETATM 0 H2' C2E A 502 102.517 11.154 8.846 1.00 0.00 H new HETATM 0 H1A C2E A 502 107.182 14.690 3.521 1.00 0.00 H new HETATM 0 H1' C2E A 502 100.459 9.454 8.674 1.00 0.00 H new