USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 HIS : no HD1:sc= -0.096 K(o=-0.21,f=0.71) USER MOD Set 1.2: A 57 SER OG : rot -59:sc= -0.116 USER MOD Set 2.1: A 8 GLN : amide:sc= -1.02 K(o=-1,f=-0.0061) USER MOD Set 2.2: A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 121:sc= 1.3 USER MOD Single : A 13 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=-0.019) USER MOD Single : A 17 ASN : amide:sc= -0.0269 X(o=-0.027,f=0.44) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= -0.0595 (180deg=-0.267) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 21 ASN : amide:sc= -0.75 X(o=-0.75,f=-0.87!) USER MOD Single : A 24 ASN : amide:sc= -0.0129 K(o=-0.013,f=-2.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.285 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 157:sc= -0.108 (180deg=-0.959) USER MOD Single : A 42 ASN : amide:sc= -6.43! C(o=-6.4!,f=-5.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -1.54 X(o=-1.5,f=-1.3) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= -0.0268 (180deg=-0.206) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -130:sc= 2.07 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -154:sc= 0.192 USER MOD Single : A 83 ASN : amide:sc=-0.00445 K(o=-0.0045,f=-1.2) USER MOD Single : A 84 HIS : no HD1:sc= -6.92! C(o=-6.9!,f=-11!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -40:sc= 0.112 USER MOD Single : A 89 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.011) USER MOD Single : A 91 LYS NZ :NH3+ 142:sc= -0.298 (180deg=-2.02!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 5.301 -8.887 7.820 1.00 0.00 N ATOM 2 CA MET A 6 4.186 -8.454 6.992 1.00 0.00 C ATOM 3 C MET A 6 4.119 -6.940 6.890 1.00 0.00 C ATOM 4 O MET A 6 4.849 -6.215 7.565 1.00 0.00 O ATOM 5 CB MET A 6 2.855 -8.967 7.553 1.00 0.00 C ATOM 6 CG MET A 6 2.552 -10.422 7.235 1.00 0.00 C ATOM 7 SD MET A 6 3.522 -11.584 8.217 1.00 0.00 S ATOM 8 CE MET A 6 2.893 -13.145 7.601 1.00 0.00 C ATOM 0 HA MET A 6 4.353 -8.871 5.999 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.859 -8.839 8.635 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.048 -8.348 7.161 1.00 0.00 H new ATOM 0 HG2 MET A 6 1.492 -10.611 7.404 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.743 -10.603 6.177 1.00 0.00 H new ATOM 0 HE1 MET A 6 3.395 -13.967 8.112 1.00 0.00 H new ATOM 0 HE2 MET A 6 1.821 -13.204 7.787 1.00 0.00 H new ATOM 0 HE3 MET A 6 3.080 -13.215 6.529 1.00 0.00 H new ATOM 17 N ILE A 7 3.227 -6.490 6.025 1.00 0.00 N ATOM 18 CA ILE A 7 2.916 -5.080 5.868 1.00 0.00 C ATOM 19 C ILE A 7 1.708 -4.768 6.742 1.00 0.00 C ATOM 20 O ILE A 7 0.958 -5.676 7.095 1.00 0.00 O ATOM 21 CB ILE A 7 2.566 -4.770 4.387 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.567 -5.434 3.447 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.519 -3.271 4.107 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.920 -6.049 2.221 1.00 0.00 C ATOM 0 H ILE A 7 2.693 -7.099 5.406 1.00 0.00 H new ATOM 0 HA ILE A 7 3.775 -4.475 6.158 1.00 0.00 H new ATOM 0 HB ILE A 7 1.571 -5.177 4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.302 -4.695 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.108 -6.208 3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.271 -3.104 3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.761 -2.807 4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.492 -2.830 4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.687 -6.504 1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.205 -6.811 2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.402 -5.274 1.655 1.00 0.00 H new ATOM 36 N GLN A 8 1.517 -3.511 7.106 1.00 0.00 N ATOM 37 CA GLN A 8 0.361 -3.127 7.897 1.00 0.00 C ATOM 38 C GLN A 8 -0.326 -1.922 7.265 1.00 0.00 C ATOM 39 O GLN A 8 0.206 -0.813 7.274 1.00 0.00 O ATOM 40 CB GLN A 8 0.782 -2.824 9.339 1.00 0.00 C ATOM 41 CG GLN A 8 1.359 -4.034 10.074 1.00 0.00 C ATOM 42 CD GLN A 8 1.754 -3.720 11.506 1.00 0.00 C ATOM 43 OE1 GLN A 8 2.698 -4.298 12.042 1.00 0.00 O ATOM 44 NE2 GLN A 8 1.023 -2.817 12.142 1.00 0.00 N ATOM 0 H GLN A 8 2.144 -2.743 6.868 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.348 -3.955 7.918 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.524 -2.026 9.332 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.081 -2.452 9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.624 -4.838 10.073 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.232 -4.399 9.533 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.248 -2.359 11.663 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.235 -2.579 13.111 1.00 0.00 H new ATOM 53 N VAL A 9 -1.496 -2.155 6.682 1.00 0.00 N ATOM 54 CA VAL A 9 -2.261 -1.088 6.044 1.00 0.00 C ATOM 55 C VAL A 9 -3.257 -0.461 7.008 1.00 0.00 C ATOM 56 O VAL A 9 -3.761 -1.118 7.918 1.00 0.00 O ATOM 57 CB VAL A 9 -3.024 -1.586 4.795 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.087 -1.718 3.608 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.698 -2.914 5.085 1.00 0.00 C ATOM 0 H VAL A 9 -1.937 -3.074 6.637 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.531 -0.339 5.737 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.789 -0.851 4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.646 -2.070 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.644 -0.748 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.298 -2.432 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.232 -3.253 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.944 -3.652 5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.403 -2.792 5.907 1.00 0.00 H new ATOM 69 N TYR A 10 -3.535 0.811 6.773 1.00 0.00 N ATOM 70 CA TYR A 10 -4.441 1.605 7.594 1.00 0.00 C ATOM 71 C TYR A 10 -5.031 2.699 6.721 1.00 0.00 C ATOM 72 O TYR A 10 -4.609 2.868 5.574 1.00 0.00 O ATOM 73 CB TYR A 10 -3.715 2.248 8.789 1.00 0.00 C ATOM 74 CG TYR A 10 -3.308 1.274 9.892 1.00 0.00 C ATOM 75 CD1 TYR A 10 -1.985 1.201 10.325 1.00 0.00 C ATOM 76 CD2 TYR A 10 -4.239 0.425 10.492 1.00 0.00 C ATOM 77 CE1 TYR A 10 -1.604 0.313 11.318 1.00 0.00 C ATOM 78 CE2 TYR A 10 -3.860 -0.465 11.488 1.00 0.00 C ATOM 79 CZ TYR A 10 -2.543 -0.514 11.894 1.00 0.00 C ATOM 80 OH TYR A 10 -2.160 -1.398 12.879 1.00 0.00 O ATOM 0 H TYR A 10 -3.132 1.331 5.994 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.217 0.951 7.992 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.822 2.754 8.423 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.361 3.013 9.220 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.244 1.848 9.879 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.271 0.461 10.176 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.574 0.269 11.639 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.593 -1.115 11.942 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.940 -1.908 13.182 1.00 0.00 H new ATOM 90 N SER A 11 -5.993 3.440 7.234 1.00 0.00 N ATOM 91 CA SER A 11 -6.572 4.526 6.469 1.00 0.00 C ATOM 92 C SER A 11 -6.364 5.861 7.179 1.00 0.00 C ATOM 93 O SER A 11 -6.177 5.915 8.397 1.00 0.00 O ATOM 94 CB SER A 11 -8.074 4.272 6.249 1.00 0.00 C ATOM 95 OG SER A 11 -8.784 4.391 7.470 1.00 0.00 O ATOM 0 H SER A 11 -6.387 3.313 8.166 1.00 0.00 H new ATOM 0 HA SER A 11 -6.071 4.571 5.502 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.466 4.984 5.523 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.223 3.276 5.831 1.00 0.00 H new ATOM 0 HG SER A 11 -9.468 5.088 7.384 1.00 0.00 H new ATOM 101 N ARG A 12 -6.365 6.932 6.388 1.00 0.00 N ATOM 102 CA ARG A 12 -6.169 8.287 6.906 1.00 0.00 C ATOM 103 C ARG A 12 -7.424 8.787 7.627 1.00 0.00 C ATOM 104 O ARG A 12 -7.343 9.651 8.498 1.00 0.00 O ATOM 105 CB ARG A 12 -5.802 9.246 5.755 1.00 0.00 C ATOM 106 CG ARG A 12 -4.785 10.320 6.128 1.00 0.00 C ATOM 107 CD ARG A 12 -5.375 11.355 7.070 1.00 0.00 C ATOM 108 NE ARG A 12 -4.415 12.401 7.409 1.00 0.00 N ATOM 109 CZ ARG A 12 -4.616 13.315 8.354 1.00 0.00 C ATOM 110 NH1 ARG A 12 -5.736 13.301 9.069 1.00 0.00 N ATOM 111 NH2 ARG A 12 -3.690 14.237 8.591 1.00 0.00 N ATOM 0 H ARG A 12 -6.500 6.888 5.378 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.351 8.261 7.626 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.407 8.662 4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.711 9.732 5.399 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.919 9.853 6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.429 10.813 5.223 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.253 11.806 6.608 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.712 10.863 7.983 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.537 12.433 6.890 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.444 12.588 8.894 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.888 14.003 9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.826 14.243 8.049 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.843 14.939 9.315 1.00 0.00 H new ATOM 125 N HIS A 13 -8.577 8.233 7.274 1.00 0.00 N ATOM 126 CA HIS A 13 -9.851 8.676 7.837 1.00 0.00 C ATOM 127 C HIS A 13 -10.807 7.492 7.983 1.00 0.00 C ATOM 128 O HIS A 13 -10.554 6.427 7.418 1.00 0.00 O ATOM 129 CB HIS A 13 -10.475 9.778 6.964 1.00 0.00 C ATOM 130 CG HIS A 13 -9.928 11.148 7.246 1.00 0.00 C ATOM 131 ND1 HIS A 13 -10.255 11.823 8.401 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.083 11.912 6.512 1.00 0.00 C ATOM 133 CE1 HIS A 13 -9.604 12.973 8.345 1.00 0.00 C ATOM 134 NE2 HIS A 13 -8.883 13.069 7.222 1.00 0.00 N ATOM 0 H HIS A 13 -8.658 7.473 6.598 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.667 9.093 8.827 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.307 9.537 5.914 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.554 9.787 7.120 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.651 11.659 5.555 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.649 13.736 9.108 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.295 13.855 6.945 1.00 0.00 H new ATOM 142 N PRO A 14 -11.912 7.659 8.745 1.00 0.00 N ATOM 143 CA PRO A 14 -12.868 6.566 9.021 1.00 0.00 C ATOM 144 C PRO A 14 -13.536 6.035 7.749 1.00 0.00 C ATOM 145 O PRO A 14 -13.932 6.808 6.873 1.00 0.00 O ATOM 146 CB PRO A 14 -13.916 7.213 9.939 1.00 0.00 C ATOM 147 CG PRO A 14 -13.259 8.450 10.473 1.00 0.00 C ATOM 148 CD PRO A 14 -12.336 8.920 9.385 1.00 0.00 C ATOM 0 HA PRO A 14 -12.369 5.705 9.465 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.825 7.456 9.389 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.202 6.539 10.746 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.999 9.213 10.716 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.708 8.237 11.389 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.844 9.579 8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.488 9.475 9.786 1.00 0.00 H new ATOM 156 N ALA A 15 -13.653 4.712 7.662 1.00 0.00 N ATOM 157 CA ALA A 15 -14.240 4.045 6.500 1.00 0.00 C ATOM 158 C ALA A 15 -15.709 4.415 6.308 1.00 0.00 C ATOM 159 O ALA A 15 -16.566 3.954 7.062 1.00 0.00 O ATOM 160 CB ALA A 15 -14.124 2.531 6.650 1.00 0.00 C ATOM 0 H ALA A 15 -13.344 4.072 8.394 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.686 4.381 5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.564 2.044 5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.073 2.253 6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.652 2.213 7.549 1.00 0.00 H new ATOM 166 N GLU A 16 -16.009 5.240 5.306 1.00 0.00 N ATOM 167 CA GLU A 16 -17.403 5.517 4.973 1.00 0.00 C ATOM 168 C GLU A 16 -17.734 5.023 3.566 1.00 0.00 C ATOM 169 O GLU A 16 -17.052 5.378 2.601 1.00 0.00 O ATOM 170 CB GLU A 16 -17.726 7.006 5.093 1.00 0.00 C ATOM 171 CG GLU A 16 -18.229 7.405 6.464 1.00 0.00 C ATOM 172 CD GLU A 16 -19.410 6.569 6.915 1.00 0.00 C ATOM 173 OE1 GLU A 16 -20.412 6.504 6.177 1.00 0.00 O ATOM 174 OE2 GLU A 16 -19.342 5.977 8.011 1.00 0.00 O ATOM 0 H GLU A 16 -15.322 5.718 4.723 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.020 4.977 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.832 7.584 4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.478 7.268 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.420 7.305 7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.516 8.456 6.450 1.00 0.00 H new ATOM 181 N ASN A 17 -18.779 4.206 3.455 1.00 0.00 N ATOM 182 CA ASN A 17 -19.197 3.647 2.173 1.00 0.00 C ATOM 183 C ASN A 17 -19.726 4.744 1.248 1.00 0.00 C ATOM 184 O ASN A 17 -20.829 5.262 1.433 1.00 0.00 O ATOM 185 CB ASN A 17 -20.255 2.544 2.404 1.00 0.00 C ATOM 186 CG ASN A 17 -20.984 2.128 1.134 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.415 2.104 0.044 1.00 0.00 O ATOM 188 ND2 ASN A 17 -22.261 1.812 1.271 1.00 0.00 N ATOM 0 H ASN A 17 -19.355 3.915 4.245 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.333 3.198 1.682 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.769 1.670 2.838 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.984 2.898 3.133 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.809 1.537 0.456 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.698 1.844 2.192 1.00 0.00 H new ATOM 195 N GLY A 18 -18.910 5.098 0.261 1.00 0.00 N ATOM 196 CA GLY A 18 -19.289 6.113 -0.709 1.00 0.00 C ATOM 197 C GLY A 18 -18.334 7.291 -0.763 1.00 0.00 C ATOM 198 O GLY A 18 -18.415 8.105 -1.684 1.00 0.00 O ATOM 0 H GLY A 18 -17.984 4.697 0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.345 5.656 -1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.288 6.477 -0.469 1.00 0.00 H new ATOM 202 N LYS A 19 -17.431 7.402 0.207 1.00 0.00 N ATOM 203 CA LYS A 19 -16.498 8.534 0.226 1.00 0.00 C ATOM 204 C LYS A 19 -15.186 8.166 -0.431 1.00 0.00 C ATOM 205 O LYS A 19 -14.798 6.999 -0.458 1.00 0.00 O ATOM 206 CB LYS A 19 -16.175 8.991 1.651 1.00 0.00 C ATOM 207 CG LYS A 19 -17.343 9.027 2.619 1.00 0.00 C ATOM 208 CD LYS A 19 -18.472 9.939 2.183 1.00 0.00 C ATOM 209 CE LYS A 19 -18.025 11.391 2.061 1.00 0.00 C ATOM 210 NZ LYS A 19 -17.387 11.893 3.308 1.00 0.00 N ATOM 0 H LYS A 19 -17.322 6.741 0.976 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.995 9.338 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.411 8.329 2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.739 9.989 1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.732 8.016 2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.983 9.351 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.862 9.599 1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.289 9.871 2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.322 11.484 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.886 12.015 1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.270 12.925 3.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.989 11.661 4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.456 11.445 3.426 1.00 0.00 H new ATOM 224 N SER A 20 -14.512 9.168 -0.964 1.00 0.00 N ATOM 225 CA SER A 20 -13.146 9.003 -1.407 1.00 0.00 C ATOM 226 C SER A 20 -12.177 9.544 -0.362 1.00 0.00 C ATOM 227 O SER A 20 -12.422 10.576 0.268 1.00 0.00 O ATOM 228 CB SER A 20 -12.933 9.679 -2.759 1.00 0.00 C ATOM 229 OG SER A 20 -13.687 10.876 -2.852 1.00 0.00 O ATOM 0 H SER A 20 -14.892 10.105 -1.100 1.00 0.00 H new ATOM 0 HA SER A 20 -12.948 7.938 -1.531 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.875 9.900 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.223 8.999 -3.560 1.00 0.00 H new ATOM 0 HG SER A 20 -13.533 11.292 -3.726 1.00 0.00 H new ATOM 235 N ASN A 21 -11.081 8.827 -0.191 1.00 0.00 N ATOM 236 CA ASN A 21 -10.059 9.137 0.805 1.00 0.00 C ATOM 237 C ASN A 21 -8.747 8.575 0.263 1.00 0.00 C ATOM 238 O ASN A 21 -8.611 8.404 -0.950 1.00 0.00 O ATOM 239 CB ASN A 21 -10.370 8.489 2.171 1.00 0.00 C ATOM 240 CG ASN A 21 -11.803 8.668 2.665 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.706 7.934 2.269 1.00 0.00 O ATOM 242 ND2 ASN A 21 -12.019 9.603 3.572 1.00 0.00 N ATOM 0 H ASN A 21 -10.868 7.999 -0.747 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.014 10.214 0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.156 7.422 2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.691 8.906 2.915 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.953 9.730 3.961 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.252 10.199 3.883 1.00 0.00 H new ATOM 249 N PHE A 22 -7.805 8.243 1.139 1.00 0.00 N ATOM 250 CA PHE A 22 -6.514 7.703 0.703 1.00 0.00 C ATOM 251 C PHE A 22 -6.198 6.384 1.407 1.00 0.00 C ATOM 252 O PHE A 22 -6.411 6.260 2.618 1.00 0.00 O ATOM 253 CB PHE A 22 -5.391 8.712 0.973 1.00 0.00 C ATOM 254 CG PHE A 22 -5.417 9.906 0.063 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.676 9.744 -1.285 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.172 11.182 0.547 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.696 10.831 -2.140 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.191 12.274 -0.302 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.453 12.098 -1.646 1.00 0.00 C ATOM 0 H PHE A 22 -7.906 8.336 2.150 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.581 7.516 -0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.462 9.053 2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.430 8.208 0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.865 8.755 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.964 11.325 1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.901 10.690 -3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.001 13.264 0.086 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.468 12.950 -2.310 1.00 0.00 H new ATOM 269 N LEU A 23 -5.699 5.399 0.651 1.00 0.00 N ATOM 270 CA LEU A 23 -5.277 4.124 1.240 1.00 0.00 C ATOM 271 C LEU A 23 -3.787 4.178 1.541 1.00 0.00 C ATOM 272 O LEU A 23 -2.969 4.385 0.645 1.00 0.00 O ATOM 273 CB LEU A 23 -5.601 2.928 0.318 1.00 0.00 C ATOM 274 CG LEU A 23 -4.930 1.577 0.682 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.280 1.132 2.097 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.338 0.495 -0.309 1.00 0.00 C ATOM 0 H LEU A 23 -5.578 5.459 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.834 3.973 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.681 2.783 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.310 3.191 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.852 1.730 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.790 0.182 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.941 1.884 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.360 1.011 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.858 -0.446 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.421 0.370 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.028 0.785 -1.313 1.00 0.00 H new ATOM 288 N ASN A 24 -3.449 3.995 2.804 1.00 0.00 N ATOM 289 CA ASN A 24 -2.074 4.152 3.259 1.00 0.00 C ATOM 290 C ASN A 24 -1.456 2.805 3.627 1.00 0.00 C ATOM 291 O ASN A 24 -1.933 2.111 4.526 1.00 0.00 O ATOM 292 CB ASN A 24 -2.012 5.121 4.453 1.00 0.00 C ATOM 293 CG ASN A 24 -2.153 6.578 4.042 1.00 0.00 C ATOM 294 OD1 ASN A 24 -2.819 6.905 3.061 1.00 0.00 O ATOM 295 ND2 ASN A 24 -1.524 7.465 4.798 1.00 0.00 N ATOM 0 H ASN A 24 -4.108 3.736 3.538 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.493 4.572 2.438 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.803 4.870 5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.065 4.986 4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.582 8.458 4.574 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.981 7.155 5.604 1.00 0.00 H new ATOM 302 N CYS A 25 -0.395 2.438 2.919 1.00 0.00 N ATOM 303 CA CYS A 25 0.320 1.189 3.164 1.00 0.00 C ATOM 304 C CYS A 25 1.708 1.487 3.737 1.00 0.00 C ATOM 305 O CYS A 25 2.513 2.159 3.092 1.00 0.00 O ATOM 306 CB CYS A 25 0.461 0.405 1.848 1.00 0.00 C ATOM 307 SG CYS A 25 1.691 -0.937 1.907 1.00 0.00 S ATOM 0 H CYS A 25 -0.005 2.996 2.159 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.242 0.591 3.882 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.509 -0.017 1.584 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.734 1.098 1.052 1.00 0.00 H new ATOM 312 N TYR A 26 1.981 1.012 4.950 1.00 0.00 N ATOM 313 CA TYR A 26 3.282 1.222 5.570 1.00 0.00 C ATOM 314 C TYR A 26 4.194 0.044 5.307 1.00 0.00 C ATOM 315 O TYR A 26 3.889 -1.085 5.693 1.00 0.00 O ATOM 316 CB TYR A 26 3.149 1.407 7.085 1.00 0.00 C ATOM 317 CG TYR A 26 2.183 2.491 7.498 1.00 0.00 C ATOM 318 CD1 TYR A 26 0.865 2.180 7.795 1.00 0.00 C ATOM 319 CD2 TYR A 26 2.581 3.820 7.579 1.00 0.00 C ATOM 320 CE1 TYR A 26 -0.037 3.162 8.156 1.00 0.00 C ATOM 321 CE2 TYR A 26 1.687 4.808 7.946 1.00 0.00 C ATOM 322 CZ TYR A 26 0.379 4.474 8.231 1.00 0.00 C ATOM 323 OH TYR A 26 -0.517 5.455 8.593 1.00 0.00 O ATOM 0 H TYR A 26 1.321 0.482 5.519 1.00 0.00 H new ATOM 0 HA TYR A 26 3.707 2.125 5.132 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.829 0.464 7.527 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.131 1.636 7.499 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.538 1.152 7.743 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.603 4.084 7.352 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.062 2.903 8.378 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.011 5.836 8.009 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.065 6.325 8.599 1.00 0.00 H new ATOM 333 N VAL A 27 5.317 0.308 4.673 1.00 0.00 N ATOM 334 CA VAL A 27 6.319 -0.709 4.451 1.00 0.00 C ATOM 335 C VAL A 27 7.503 -0.387 5.367 1.00 0.00 C ATOM 336 O VAL A 27 7.870 0.780 5.527 1.00 0.00 O ATOM 337 CB VAL A 27 6.719 -0.766 2.942 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.761 -1.841 2.650 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.476 -1.010 2.090 1.00 0.00 C ATOM 0 H VAL A 27 5.558 1.226 4.300 1.00 0.00 H new ATOM 0 HA VAL A 27 5.939 -1.702 4.693 1.00 0.00 H new ATOM 0 HB VAL A 27 7.168 0.195 2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.001 -1.835 1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.663 -1.639 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.364 -2.818 2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.758 -1.049 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.017 -1.956 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.764 -0.199 2.245 1.00 0.00 H new ATOM 349 N SER A 28 8.067 -1.420 5.987 1.00 0.00 N ATOM 350 CA SER A 28 9.080 -1.258 7.028 1.00 0.00 C ATOM 351 C SER A 28 10.410 -0.806 6.419 1.00 0.00 C ATOM 352 O SER A 28 10.447 -0.389 5.261 1.00 0.00 O ATOM 353 CB SER A 28 9.232 -2.569 7.807 1.00 0.00 C ATOM 354 OG SER A 28 9.994 -2.384 8.992 1.00 0.00 O ATOM 0 H SER A 28 7.836 -2.392 5.783 1.00 0.00 H new ATOM 0 HA SER A 28 8.762 -0.482 7.724 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.246 -2.958 8.064 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.714 -3.315 7.176 1.00 0.00 H new ATOM 0 HG SER A 28 10.072 -3.237 9.467 1.00 0.00 H new ATOM 360 N GLY A 29 11.501 -0.892 7.182 1.00 0.00 N ATOM 361 CA GLY A 29 12.709 -0.156 6.839 1.00 0.00 C ATOM 362 C GLY A 29 13.519 -0.835 5.752 1.00 0.00 C ATOM 363 O GLY A 29 14.657 -1.252 5.977 1.00 0.00 O ATOM 0 H GLY A 29 11.569 -1.457 8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.437 0.847 6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.327 -0.044 7.730 1.00 0.00 H new ATOM 367 N PHE A 30 12.920 -0.955 4.584 1.00 0.00 N ATOM 368 CA PHE A 30 13.586 -1.498 3.418 1.00 0.00 C ATOM 369 C PHE A 30 14.192 -0.347 2.634 1.00 0.00 C ATOM 370 O PHE A 30 13.745 0.791 2.765 1.00 0.00 O ATOM 371 CB PHE A 30 12.583 -2.239 2.527 1.00 0.00 C ATOM 372 CG PHE A 30 11.864 -3.404 3.193 1.00 0.00 C ATOM 373 CD1 PHE A 30 10.810 -3.181 4.071 1.00 0.00 C ATOM 374 CD2 PHE A 30 12.228 -4.721 2.924 1.00 0.00 C ATOM 375 CE1 PHE A 30 10.134 -4.239 4.661 1.00 0.00 C ATOM 376 CE2 PHE A 30 11.556 -5.782 3.519 1.00 0.00 C ATOM 377 CZ PHE A 30 10.508 -5.536 4.385 1.00 0.00 C ATOM 0 H PHE A 30 11.953 -0.677 4.417 1.00 0.00 H new ATOM 0 HA PHE A 30 14.358 -2.199 3.734 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.838 -1.526 2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 30 13.108 -2.612 1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.512 -2.168 4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 30 13.043 -4.920 2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.314 -4.046 5.337 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.853 -6.798 3.305 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.982 -6.360 4.845 1.00 0.00 H new ATOM 387 N HIS A 31 15.192 -0.624 1.817 1.00 0.00 N ATOM 388 CA HIS A 31 15.783 0.416 0.994 1.00 0.00 C ATOM 389 C HIS A 31 15.004 0.520 -0.309 1.00 0.00 C ATOM 390 O HIS A 31 15.025 -0.403 -1.124 1.00 0.00 O ATOM 391 CB HIS A 31 17.262 0.138 0.730 1.00 0.00 C ATOM 392 CG HIS A 31 18.081 0.074 1.983 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.612 -1.113 2.436 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.420 1.066 2.843 1.00 0.00 C ATOM 395 CE1 HIS A 31 19.254 -0.817 3.554 1.00 0.00 C ATOM 396 NE2 HIS A 31 19.165 0.488 3.836 1.00 0.00 N ATOM 0 H HIS A 31 15.608 -1.549 1.706 1.00 0.00 H new ATOM 0 HA HIS A 31 15.727 1.367 1.524 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.358 -0.805 0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.662 0.917 0.081 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.154 2.110 2.761 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.782 -1.537 4.162 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.575 0.963 4.640 1.00 0.00 H new ATOM 404 N PRO A 32 14.314 1.661 -0.501 1.00 0.00 N ATOM 405 CA PRO A 32 13.302 1.856 -1.555 1.00 0.00 C ATOM 406 C PRO A 32 13.685 1.340 -2.944 1.00 0.00 C ATOM 407 O PRO A 32 12.821 0.904 -3.701 1.00 0.00 O ATOM 408 CB PRO A 32 13.133 3.373 -1.597 1.00 0.00 C ATOM 409 CG PRO A 32 13.454 3.839 -0.219 1.00 0.00 C ATOM 410 CD PRO A 32 14.473 2.873 0.331 1.00 0.00 C ATOM 0 HA PRO A 32 12.404 1.286 -1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.801 3.824 -2.331 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.117 3.649 -1.879 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.850 4.854 -0.235 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.559 3.856 0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.483 3.276 0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.291 2.659 1.384 1.00 0.00 H new ATOM 418 N SER A 33 14.964 1.381 -3.278 1.00 0.00 N ATOM 419 CA SER A 33 15.401 1.055 -4.627 1.00 0.00 C ATOM 420 C SER A 33 15.276 -0.449 -4.931 1.00 0.00 C ATOM 421 O SER A 33 15.063 -0.838 -6.081 1.00 0.00 O ATOM 422 CB SER A 33 16.845 1.535 -4.835 1.00 0.00 C ATOM 423 OG SER A 33 17.271 1.352 -6.174 1.00 0.00 O ATOM 0 H SER A 33 15.716 1.636 -2.637 1.00 0.00 H new ATOM 0 HA SER A 33 14.744 1.573 -5.326 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.919 2.590 -4.571 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.510 0.991 -4.164 1.00 0.00 H new ATOM 0 HG SER A 33 18.193 1.670 -6.270 1.00 0.00 H new ATOM 429 N ASP A 34 15.409 -1.296 -3.913 1.00 0.00 N ATOM 430 CA ASP A 34 15.412 -2.748 -4.133 1.00 0.00 C ATOM 431 C ASP A 34 14.109 -3.415 -3.701 1.00 0.00 C ATOM 432 O ASP A 34 14.102 -4.605 -3.381 1.00 0.00 O ATOM 433 CB ASP A 34 16.584 -3.396 -3.386 1.00 0.00 C ATOM 434 CG ASP A 34 17.919 -2.782 -3.746 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.341 -1.830 -3.057 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.560 -3.254 -4.712 1.00 0.00 O ATOM 0 H ASP A 34 15.515 -1.012 -2.939 1.00 0.00 H new ATOM 0 HA ASP A 34 15.519 -2.899 -5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.423 -3.300 -2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.607 -4.462 -3.611 1.00 0.00 H new ATOM 441 N ILE A 35 13.003 -2.676 -3.691 1.00 0.00 N ATOM 442 CA ILE A 35 11.731 -3.265 -3.289 1.00 0.00 C ATOM 443 C ILE A 35 10.626 -2.938 -4.287 1.00 0.00 C ATOM 444 O ILE A 35 10.758 -2.027 -5.103 1.00 0.00 O ATOM 445 CB ILE A 35 11.291 -2.823 -1.860 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.236 -1.701 -1.902 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.495 -2.389 -1.026 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.749 -1.282 -0.528 1.00 0.00 C ATOM 0 H ILE A 35 12.961 -1.690 -3.950 1.00 0.00 H new ATOM 0 HA ILE A 35 11.892 -4.343 -3.272 1.00 0.00 H new ATOM 0 HB ILE A 35 10.832 -3.691 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.658 -0.834 -2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.385 -2.035 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.160 -2.086 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.193 -3.221 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.992 -1.550 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.008 -0.489 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.298 -2.137 -0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.591 -0.918 0.061 1.00 0.00 H new ATOM 460 N GLU A 36 9.547 -3.709 -4.221 1.00 0.00 N ATOM 461 CA GLU A 36 8.386 -3.508 -5.077 1.00 0.00 C ATOM 462 C GLU A 36 7.104 -3.537 -4.237 1.00 0.00 C ATOM 463 O GLU A 36 6.767 -4.567 -3.653 1.00 0.00 O ATOM 464 CB GLU A 36 8.343 -4.599 -6.148 1.00 0.00 C ATOM 465 CG GLU A 36 9.495 -4.497 -7.149 1.00 0.00 C ATOM 466 CD GLU A 36 9.587 -5.695 -8.067 1.00 0.00 C ATOM 467 OE1 GLU A 36 8.904 -5.700 -9.113 1.00 0.00 O ATOM 468 OE2 GLU A 36 10.352 -6.635 -7.753 1.00 0.00 O ATOM 0 H GLU A 36 9.453 -4.491 -3.572 1.00 0.00 H new ATOM 0 HA GLU A 36 8.461 -2.536 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.373 -5.576 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.396 -4.537 -6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.369 -3.595 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.433 -4.390 -6.605 1.00 0.00 H new ATOM 475 N VAL A 37 6.409 -2.403 -4.159 1.00 0.00 N ATOM 476 CA VAL A 37 5.179 -2.288 -3.365 1.00 0.00 C ATOM 477 C VAL A 37 4.056 -1.652 -4.192 1.00 0.00 C ATOM 478 O VAL A 37 4.277 -0.655 -4.882 1.00 0.00 O ATOM 479 CB VAL A 37 5.409 -1.474 -2.048 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.600 -0.543 -2.195 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.165 -0.681 -1.653 1.00 0.00 C ATOM 0 H VAL A 37 6.677 -1.543 -4.638 1.00 0.00 H new ATOM 0 HA VAL A 37 4.882 -3.298 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 37 5.616 -2.190 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.743 0.014 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.495 -1.128 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.418 0.154 -3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.362 -0.129 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.911 0.018 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.332 -1.366 -1.493 1.00 0.00 H new ATOM 491 N ASP A 38 2.854 -2.233 -4.122 1.00 0.00 N ATOM 492 CA ASP A 38 1.703 -1.710 -4.862 1.00 0.00 C ATOM 493 C ASP A 38 0.447 -1.727 -3.983 1.00 0.00 C ATOM 494 O ASP A 38 0.419 -2.373 -2.934 1.00 0.00 O ATOM 495 CB ASP A 38 1.418 -2.539 -6.135 1.00 0.00 C ATOM 496 CG ASP A 38 2.482 -2.423 -7.206 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.670 -1.314 -7.744 1.00 0.00 O ATOM 498 OD2 ASP A 38 3.089 -3.459 -7.554 1.00 0.00 O ATOM 0 H ASP A 38 2.654 -3.062 -3.563 1.00 0.00 H new ATOM 0 HA ASP A 38 1.949 -0.688 -5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.313 -3.587 -5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.462 -2.224 -6.553 1.00 0.00 H new ATOM 503 N LEU A 39 -0.595 -1.035 -4.443 1.00 0.00 N ATOM 504 CA LEU A 39 -1.888 -1.041 -3.759 1.00 0.00 C ATOM 505 C LEU A 39 -2.894 -1.841 -4.588 1.00 0.00 C ATOM 506 O LEU A 39 -3.054 -1.599 -5.789 1.00 0.00 O ATOM 507 CB LEU A 39 -2.398 0.385 -3.497 1.00 0.00 C ATOM 508 CG LEU A 39 -1.921 1.032 -2.180 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.434 1.332 -2.203 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.698 2.299 -1.890 1.00 0.00 C ATOM 0 H LEU A 39 -0.569 -0.463 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.765 -1.515 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.088 1.021 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.488 0.368 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.106 0.310 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.140 1.787 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.122 0.406 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.214 2.019 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.344 2.737 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.551 3.010 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.758 2.063 -1.801 1.00 0.00 H new ATOM 522 N LEU A 40 -3.555 -2.803 -3.952 1.00 0.00 N ATOM 523 CA LEU A 40 -4.373 -3.784 -4.660 1.00 0.00 C ATOM 524 C LEU A 40 -5.825 -3.814 -4.184 1.00 0.00 C ATOM 525 O LEU A 40 -6.189 -3.200 -3.181 1.00 0.00 O ATOM 526 CB LEU A 40 -3.827 -5.199 -4.459 1.00 0.00 C ATOM 527 CG LEU A 40 -2.363 -5.463 -4.819 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.173 -6.958 -5.008 1.00 0.00 C ATOM 529 CD2 LEU A 40 -1.930 -4.725 -6.078 1.00 0.00 C ATOM 0 H LEU A 40 -3.540 -2.925 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.336 -3.477 -5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.966 -5.465 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.443 -5.881 -5.045 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.741 -5.091 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.134 -7.163 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.427 -7.477 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.822 -7.309 -5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.884 -4.947 -6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.545 -5.047 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.051 -3.652 -5.930 1.00 0.00 H new ATOM 541 N LYS A 41 -6.634 -4.554 -4.941 1.00 0.00 N ATOM 542 CA LYS A 41 -7.979 -4.941 -4.546 1.00 0.00 C ATOM 543 C LYS A 41 -8.093 -6.443 -4.669 1.00 0.00 C ATOM 544 O LYS A 41 -8.181 -6.937 -5.791 1.00 0.00 O ATOM 545 CB LYS A 41 -9.044 -4.352 -5.484 1.00 0.00 C ATOM 546 CG LYS A 41 -8.673 -2.995 -6.059 1.00 0.00 C ATOM 547 CD LYS A 41 -9.737 -2.412 -7.019 1.00 0.00 C ATOM 548 CE LYS A 41 -11.150 -2.353 -6.401 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.153 -1.690 -5.072 1.00 0.00 N ATOM 0 H LYS A 41 -6.365 -4.905 -5.860 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.144 -4.578 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.217 -5.049 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.984 -4.261 -4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.514 -2.295 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.726 -3.083 -6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.436 -1.408 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.769 -3.017 -7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.817 -1.816 -7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.544 -3.364 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.105 -1.323 -4.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.884 -2.378 -4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.472 -0.904 -5.075 1.00 0.00 H new ATOM 563 N ASN A 42 -8.131 -7.168 -3.558 1.00 0.00 N ATOM 564 CA ASN A 42 -8.281 -8.625 -3.619 1.00 0.00 C ATOM 565 C ASN A 42 -7.257 -9.230 -4.587 1.00 0.00 C ATOM 566 O ASN A 42 -7.567 -10.149 -5.353 1.00 0.00 O ATOM 567 CB ASN A 42 -9.714 -8.968 -4.087 1.00 0.00 C ATOM 568 CG ASN A 42 -10.794 -8.114 -3.472 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.455 -8.505 -2.516 1.00 0.00 O ATOM 570 ND2 ASN A 42 -10.990 -6.939 -4.067 1.00 0.00 N ATOM 0 H ASN A 42 -8.062 -6.783 -2.616 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.107 -9.044 -2.628 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.762 -8.868 -5.171 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.918 -10.013 -3.854 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.721 -6.312 -3.730 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.409 -6.665 -4.859 1.00 0.00 H new ATOM 577 N GLY A 43 -6.037 -8.706 -4.546 1.00 0.00 N ATOM 578 CA GLY A 43 -5.001 -9.172 -5.452 1.00 0.00 C ATOM 579 C GLY A 43 -5.079 -8.583 -6.858 1.00 0.00 C ATOM 580 O GLY A 43 -4.601 -9.200 -7.808 1.00 0.00 O ATOM 0 H GLY A 43 -5.746 -7.969 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.027 -8.932 -5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.059 -10.258 -5.523 1.00 0.00 H new ATOM 584 N GLU A 44 -5.665 -7.401 -7.004 1.00 0.00 N ATOM 585 CA GLU A 44 -5.821 -6.779 -8.319 1.00 0.00 C ATOM 586 C GLU A 44 -5.297 -5.343 -8.277 1.00 0.00 C ATOM 587 O GLU A 44 -5.804 -4.524 -7.513 1.00 0.00 O ATOM 588 CB GLU A 44 -7.299 -6.803 -8.734 1.00 0.00 C ATOM 589 CG GLU A 44 -7.554 -6.388 -10.177 1.00 0.00 C ATOM 590 CD GLU A 44 -6.895 -7.322 -11.168 1.00 0.00 C ATOM 591 OE1 GLU A 44 -5.684 -7.164 -11.426 1.00 0.00 O ATOM 592 OE2 GLU A 44 -7.584 -8.217 -11.700 1.00 0.00 O ATOM 0 H GLU A 44 -6.041 -6.852 -6.231 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.245 -7.339 -9.056 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.690 -7.809 -8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.860 -6.141 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.628 -6.365 -10.362 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.182 -5.375 -10.333 1.00 0.00 H new ATOM 599 N ARG A 45 -4.254 -5.062 -9.061 1.00 0.00 N ATOM 600 CA ARG A 45 -3.634 -3.740 -9.084 1.00 0.00 C ATOM 601 C ARG A 45 -4.670 -2.647 -9.370 1.00 0.00 C ATOM 602 O ARG A 45 -5.374 -2.685 -10.381 1.00 0.00 O ATOM 603 CB ARG A 45 -2.495 -3.693 -10.134 1.00 0.00 C ATOM 604 CG ARG A 45 -1.446 -2.628 -9.829 1.00 0.00 C ATOM 605 CD ARG A 45 -0.196 -2.706 -10.728 1.00 0.00 C ATOM 606 NE ARG A 45 0.911 -3.418 -10.087 1.00 0.00 N ATOM 607 CZ ARG A 45 1.869 -4.058 -10.755 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.753 -4.270 -12.062 1.00 0.00 N ATOM 609 NH2 ARG A 45 2.940 -4.505 -10.111 1.00 0.00 N ATOM 0 H ARG A 45 -3.821 -5.738 -9.691 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.209 -3.552 -8.098 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.011 -4.669 -10.181 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.923 -3.502 -11.118 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.900 -1.643 -9.939 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.139 -2.723 -8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.454 -3.207 -11.661 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.126 -1.697 -10.986 1.00 0.00 H new ATOM 0 HE ARG A 45 0.951 -3.424 -9.068 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.926 -3.942 -12.560 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.491 -4.761 -12.567 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.029 -4.358 -9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.674 -4.995 -10.622 1.00 0.00 H new ATOM 623 N ILE A 46 -4.747 -1.683 -8.443 1.00 0.00 N ATOM 624 CA ILE A 46 -5.693 -0.571 -8.521 1.00 0.00 C ATOM 625 C ILE A 46 -5.407 0.323 -9.727 1.00 0.00 C ATOM 626 O ILE A 46 -6.169 0.283 -10.683 1.00 0.00 O ATOM 627 CB ILE A 46 -5.667 0.245 -7.201 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.039 -0.689 -6.044 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.617 1.448 -7.252 1.00 0.00 C ATOM 630 CD1 ILE A 46 -5.958 -0.070 -4.673 1.00 0.00 C ATOM 0 H ILE A 46 -4.151 -1.656 -7.616 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.693 -0.983 -8.656 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.664 0.645 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.054 -1.052 -6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.382 -1.558 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.567 1.991 -6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.323 2.109 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.637 1.100 -7.417 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.240 -0.809 -3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.938 0.267 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.637 0.781 -4.617 1.00 0.00 H new ATOM 642 N GLU A 47 -4.377 1.183 -9.604 1.00 0.00 N ATOM 643 CA GLU A 47 -3.729 1.924 -10.722 1.00 0.00 C ATOM 644 C GLU A 47 -3.373 3.344 -10.285 1.00 0.00 C ATOM 645 O GLU A 47 -2.300 3.845 -10.630 1.00 0.00 O ATOM 646 CB GLU A 47 -4.561 2.064 -12.015 1.00 0.00 C ATOM 647 CG GLU A 47 -4.618 0.827 -12.903 1.00 0.00 C ATOM 648 CD GLU A 47 -4.852 1.176 -14.354 1.00 0.00 C ATOM 649 OE1 GLU A 47 -3.876 1.175 -15.133 1.00 0.00 O ATOM 650 OE2 GLU A 47 -6.008 1.464 -14.724 1.00 0.00 O ATOM 0 H GLU A 47 -3.955 1.393 -8.700 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.859 1.310 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.580 2.339 -11.741 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.154 2.889 -12.599 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.684 0.272 -12.811 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.415 0.169 -12.556 1.00 0.00 H new ATOM 657 N LYS A 48 -4.267 4.002 -9.532 1.00 0.00 N ATOM 658 CA LYS A 48 -4.122 5.430 -9.236 1.00 0.00 C ATOM 659 C LYS A 48 -3.134 5.666 -8.097 1.00 0.00 C ATOM 660 O LYS A 48 -3.409 6.446 -7.184 1.00 0.00 O ATOM 661 CB LYS A 48 -5.469 6.054 -8.821 1.00 0.00 C ATOM 662 CG LYS A 48 -6.683 5.710 -9.692 1.00 0.00 C ATOM 663 CD LYS A 48 -6.417 5.918 -11.169 1.00 0.00 C ATOM 664 CE LYS A 48 -7.721 5.925 -11.957 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.499 6.129 -13.412 1.00 0.00 N ATOM 0 H LYS A 48 -5.093 3.568 -9.120 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.756 5.896 -10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.686 5.747 -7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.353 7.138 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.966 4.672 -9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.530 6.326 -9.389 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.891 6.861 -11.319 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.766 5.127 -11.541 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.243 4.981 -11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.369 6.715 -11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.414 6.126 -13.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.025 7.042 -13.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.903 5.362 -13.783 1.00 0.00 H new ATOM 679 N VAL A 49 -1.971 5.046 -8.160 1.00 0.00 N ATOM 680 CA VAL A 49 -1.041 5.122 -7.054 1.00 0.00 C ATOM 681 C VAL A 49 0.239 5.806 -7.524 1.00 0.00 C ATOM 682 O VAL A 49 0.798 5.455 -8.567 1.00 0.00 O ATOM 683 CB VAL A 49 -0.754 3.719 -6.436 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.628 3.198 -6.781 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.935 3.748 -4.932 1.00 0.00 C ATOM 0 H VAL A 49 -1.652 4.492 -8.955 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.489 5.716 -6.257 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.478 3.033 -6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.772 2.219 -6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.725 3.111 -7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.382 3.889 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.730 2.759 -4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.246 4.472 -4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.960 4.034 -4.694 1.00 0.00 H new ATOM 695 N GLU A 50 0.658 6.828 -6.791 1.00 0.00 N ATOM 696 CA GLU A 50 1.863 7.573 -7.147 1.00 0.00 C ATOM 697 C GLU A 50 2.648 8.033 -5.927 1.00 0.00 C ATOM 698 O GLU A 50 2.181 8.857 -5.143 1.00 0.00 O ATOM 699 CB GLU A 50 1.511 8.793 -8.004 1.00 0.00 C ATOM 700 CG GLU A 50 1.469 8.507 -9.495 1.00 0.00 C ATOM 701 CD GLU A 50 2.830 8.113 -10.045 1.00 0.00 C ATOM 702 OE1 GLU A 50 3.761 8.942 -9.988 1.00 0.00 O ATOM 703 OE2 GLU A 50 2.971 6.978 -10.545 1.00 0.00 O ATOM 0 H GLU A 50 0.186 7.161 -5.950 1.00 0.00 H new ATOM 0 HA GLU A 50 2.492 6.886 -7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.540 9.177 -7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.241 9.580 -7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.755 7.706 -9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.108 9.390 -10.022 1.00 0.00 H new ATOM 710 N HIS A 51 3.825 7.461 -5.768 1.00 0.00 N ATOM 711 CA HIS A 51 4.824 7.970 -4.832 1.00 0.00 C ATOM 712 C HIS A 51 6.006 8.517 -5.636 1.00 0.00 C ATOM 713 O HIS A 51 6.039 8.358 -6.858 1.00 0.00 O ATOM 714 CB HIS A 51 5.235 6.869 -3.818 1.00 0.00 C ATOM 715 CG HIS A 51 6.267 7.311 -2.819 1.00 0.00 C ATOM 716 ND1 HIS A 51 7.508 6.728 -2.773 1.00 0.00 N ATOM 717 CD2 HIS A 51 6.201 8.284 -1.873 1.00 0.00 C ATOM 718 CE1 HIS A 51 8.166 7.349 -1.812 1.00 0.00 C ATOM 719 NE2 HIS A 51 7.416 8.303 -1.238 1.00 0.00 N ATOM 0 H HIS A 51 4.122 6.631 -6.281 1.00 0.00 H new ATOM 0 HA HIS A 51 4.413 8.785 -4.235 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.347 6.533 -3.283 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.620 6.010 -4.367 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.354 8.920 -1.662 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.181 7.118 -1.524 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.696 8.922 -0.477 1.00 0.00 H new ATOM 727 N SER A 52 6.982 9.144 -4.979 1.00 0.00 N ATOM 728 CA SER A 52 8.007 9.861 -5.711 1.00 0.00 C ATOM 729 C SER A 52 9.326 9.239 -5.292 1.00 0.00 C ATOM 730 O SER A 52 9.707 9.323 -4.122 1.00 0.00 O ATOM 731 CB SER A 52 7.969 11.354 -5.375 1.00 0.00 C ATOM 732 OG SER A 52 6.669 11.891 -5.578 1.00 0.00 O ATOM 0 H SER A 52 7.078 9.167 -3.964 1.00 0.00 H new ATOM 0 HA SER A 52 7.859 9.785 -6.788 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.270 11.504 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.688 11.888 -5.996 1.00 0.00 H new ATOM 0 HG SER A 52 6.671 12.845 -5.355 1.00 0.00 H new ATOM 738 N ASP A 53 10.026 8.609 -6.219 1.00 0.00 N ATOM 739 CA ASP A 53 11.081 7.696 -5.828 1.00 0.00 C ATOM 740 C ASP A 53 12.458 8.267 -6.110 1.00 0.00 C ATOM 741 O ASP A 53 12.636 9.153 -6.950 1.00 0.00 O ATOM 742 CB ASP A 53 10.887 6.330 -6.498 1.00 0.00 C ATOM 743 CG ASP A 53 11.027 6.384 -8.010 1.00 0.00 C ATOM 744 OD1 ASP A 53 12.159 6.252 -8.516 1.00 0.00 O ATOM 745 OD2 ASP A 53 9.999 6.558 -8.702 1.00 0.00 O ATOM 0 H ASP A 53 9.887 8.710 -7.224 1.00 0.00 H new ATOM 0 HA ASP A 53 11.017 7.556 -4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.617 5.628 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.900 5.944 -6.244 1.00 0.00 H new ATOM 750 N LEU A 54 13.422 7.747 -5.372 1.00 0.00 N ATOM 751 CA LEU A 54 14.787 8.271 -5.376 1.00 0.00 C ATOM 752 C LEU A 54 15.665 7.502 -6.358 1.00 0.00 C ATOM 753 O LEU A 54 15.171 6.684 -7.133 1.00 0.00 O ATOM 754 CB LEU A 54 15.396 8.211 -3.956 1.00 0.00 C ATOM 755 CG LEU A 54 14.536 7.447 -2.913 1.00 0.00 C ATOM 756 CD1 LEU A 54 14.650 5.938 -3.110 1.00 0.00 C ATOM 757 CD2 LEU A 54 14.879 7.805 -1.460 1.00 0.00 C ATOM 0 H LEU A 54 13.287 6.949 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 54 14.746 9.312 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 54 16.376 7.738 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 54 15.555 9.229 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 54 13.508 7.765 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 54 14.038 5.427 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.303 5.674 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 54 15.690 5.634 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.241 7.235 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 54 15.923 7.563 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.717 8.871 -1.300 1.00 0.00 H new ATOM 769 N SER A 55 16.960 7.754 -6.313 1.00 0.00 N ATOM 770 CA SER A 55 17.890 7.088 -7.211 1.00 0.00 C ATOM 771 C SER A 55 18.468 5.851 -6.531 1.00 0.00 C ATOM 772 O SER A 55 18.482 4.757 -7.097 1.00 0.00 O ATOM 773 CB SER A 55 19.008 8.052 -7.616 1.00 0.00 C ATOM 774 OG SER A 55 18.472 9.279 -8.093 1.00 0.00 O ATOM 0 H SER A 55 17.393 8.413 -5.666 1.00 0.00 H new ATOM 0 HA SER A 55 17.361 6.776 -8.111 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.657 8.242 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.625 7.595 -8.390 1.00 0.00 H new ATOM 0 HG SER A 55 19.204 9.880 -8.344 1.00 0.00 H new ATOM 780 N PHE A 56 18.907 6.036 -5.294 1.00 0.00 N ATOM 781 CA PHE A 56 19.484 4.968 -4.496 1.00 0.00 C ATOM 782 C PHE A 56 19.486 5.416 -3.042 1.00 0.00 C ATOM 783 O PHE A 56 19.476 6.617 -2.774 1.00 0.00 O ATOM 784 CB PHE A 56 20.912 4.654 -4.968 1.00 0.00 C ATOM 785 CG PHE A 56 21.501 3.419 -4.344 1.00 0.00 C ATOM 786 CD1 PHE A 56 22.413 3.515 -3.305 1.00 0.00 C ATOM 787 CD2 PHE A 56 21.137 2.160 -4.795 1.00 0.00 C ATOM 788 CE1 PHE A 56 22.951 2.380 -2.729 1.00 0.00 C ATOM 789 CE2 PHE A 56 21.672 1.022 -4.225 1.00 0.00 C ATOM 790 CZ PHE A 56 22.579 1.130 -3.190 1.00 0.00 C ATOM 0 H PHE A 56 18.872 6.936 -4.815 1.00 0.00 H new ATOM 0 HA PHE A 56 18.895 4.057 -4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 56 20.908 4.536 -6.052 1.00 0.00 H new ATOM 0 HB3 PHE A 56 21.554 5.505 -4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 56 22.707 4.489 -2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.426 2.068 -5.603 1.00 0.00 H new ATOM 0 HE1 PHE A 56 23.661 2.469 -1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.381 0.048 -4.589 1.00 0.00 H new ATOM 0 HZ PHE A 56 22.997 0.241 -2.741 1.00 0.00 H new ATOM 800 N SER A 57 19.478 4.472 -2.112 1.00 0.00 N ATOM 801 CA SER A 57 19.418 4.805 -0.695 1.00 0.00 C ATOM 802 C SER A 57 20.755 5.376 -0.223 1.00 0.00 C ATOM 803 O SER A 57 21.626 4.647 0.257 1.00 0.00 O ATOM 804 CB SER A 57 19.037 3.568 0.124 1.00 0.00 C ATOM 805 OG SER A 57 18.668 3.919 1.448 1.00 0.00 O ATOM 0 H SER A 57 19.512 3.472 -2.311 1.00 0.00 H new ATOM 0 HA SER A 57 18.652 5.566 -0.547 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.210 3.049 -0.361 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.877 2.874 0.150 1.00 0.00 H new ATOM 0 HG SER A 57 19.415 4.379 1.885 1.00 0.00 H new ATOM 811 N LYS A 58 20.913 6.682 -0.386 1.00 0.00 N ATOM 812 CA LYS A 58 22.118 7.376 0.049 1.00 0.00 C ATOM 813 C LYS A 58 21.779 8.434 1.092 1.00 0.00 C ATOM 814 O LYS A 58 22.614 8.806 1.915 1.00 0.00 O ATOM 815 CB LYS A 58 22.819 8.024 -1.144 1.00 0.00 C ATOM 816 CG LYS A 58 23.410 7.019 -2.117 1.00 0.00 C ATOM 817 CD LYS A 58 24.044 7.707 -3.312 1.00 0.00 C ATOM 818 CE LYS A 58 24.719 6.710 -4.236 1.00 0.00 C ATOM 819 NZ LYS A 58 25.881 6.042 -3.588 1.00 0.00 N ATOM 0 H LYS A 58 20.216 7.287 -0.820 1.00 0.00 H new ATOM 0 HA LYS A 58 22.790 6.645 0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 58 22.107 8.656 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 58 23.613 8.675 -0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 58 24.158 6.413 -1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 58 22.629 6.340 -2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 58 23.281 8.257 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.776 8.437 -2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.995 5.956 -4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.053 7.222 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 26.450 5.557 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 26.467 6.754 -3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 25.539 5.348 -2.893 1.00 0.00 H new ATOM 833 N ASP A 59 20.539 8.896 1.061 1.00 0.00 N ATOM 834 CA ASP A 59 20.056 9.879 2.027 1.00 0.00 C ATOM 835 C ASP A 59 18.601 9.571 2.340 1.00 0.00 C ATOM 836 O ASP A 59 17.705 10.380 2.101 1.00 0.00 O ATOM 837 CB ASP A 59 20.197 11.320 1.509 1.00 0.00 C ATOM 838 CG ASP A 59 20.227 12.334 2.638 1.00 0.00 C ATOM 839 OD1 ASP A 59 21.328 12.819 2.976 1.00 0.00 O ATOM 840 OD2 ASP A 59 19.158 12.653 3.200 1.00 0.00 O ATOM 0 H ASP A 59 19.843 8.606 0.374 1.00 0.00 H new ATOM 0 HA ASP A 59 20.665 9.809 2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 59 21.111 11.405 0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.366 11.547 0.841 1.00 0.00 H new ATOM 845 N TRP A 60 18.376 8.372 2.843 1.00 0.00 N ATOM 846 CA TRP A 60 17.035 7.905 3.129 1.00 0.00 C ATOM 847 C TRP A 60 16.884 7.589 4.607 1.00 0.00 C ATOM 848 O TRP A 60 17.785 7.007 5.221 1.00 0.00 O ATOM 849 CB TRP A 60 16.721 6.658 2.291 1.00 0.00 C ATOM 850 CG TRP A 60 15.378 6.064 2.588 1.00 0.00 C ATOM 851 CD1 TRP A 60 14.178 6.435 2.040 1.00 0.00 C ATOM 852 CD2 TRP A 60 15.087 4.997 3.512 1.00 0.00 C ATOM 853 NE1 TRP A 60 13.170 5.674 2.564 1.00 0.00 N ATOM 854 CE2 TRP A 60 13.697 4.791 3.467 1.00 0.00 C ATOM 855 CE3 TRP A 60 15.859 4.194 4.379 1.00 0.00 C ATOM 856 CZ2 TRP A 60 13.057 3.834 4.237 1.00 0.00 C ATOM 857 CZ3 TRP A 60 15.214 3.241 5.144 1.00 0.00 C ATOM 858 CH2 TRP A 60 13.827 3.068 5.071 1.00 0.00 C ATOM 0 H TRP A 60 19.111 7.700 3.063 1.00 0.00 H new ATOM 0 HA TRP A 60 16.331 8.695 2.869 1.00 0.00 H new ATOM 0 HB2 TRP A 60 16.769 6.918 1.234 1.00 0.00 H new ATOM 0 HB3 TRP A 60 17.490 5.906 2.469 1.00 0.00 H new ATOM 0 HD1 TRP A 60 14.048 7.214 1.303 1.00 0.00 H new ATOM 0 HE1 TRP A 60 12.183 5.752 2.321 1.00 0.00 H new ATOM 0 HE3 TRP A 60 16.930 4.322 4.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 11.987 3.697 4.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 15.791 2.618 5.811 1.00 0.00 H new ATOM 0 HH2 TRP A 60 13.355 2.315 5.685 1.00 0.00 H new ATOM 869 N SER A 61 15.763 7.996 5.182 1.00 0.00 N ATOM 870 CA SER A 61 15.428 7.602 6.533 1.00 0.00 C ATOM 871 C SER A 61 13.925 7.361 6.677 1.00 0.00 C ATOM 872 O SER A 61 13.520 6.372 7.290 1.00 0.00 O ATOM 873 CB SER A 61 15.943 8.631 7.557 1.00 0.00 C ATOM 874 OG SER A 61 15.560 9.950 7.202 1.00 0.00 O ATOM 0 H SER A 61 15.074 8.598 4.732 1.00 0.00 H new ATOM 0 HA SER A 61 15.931 6.658 6.744 1.00 0.00 H new ATOM 0 HB2 SER A 61 15.552 8.390 8.545 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.029 8.571 7.621 1.00 0.00 H new ATOM 0 HG SER A 61 15.900 10.580 7.871 1.00 0.00 H new ATOM 880 N PHE A 62 13.089 8.248 6.121 1.00 0.00 N ATOM 881 CA PHE A 62 11.639 8.120 6.221 1.00 0.00 C ATOM 882 C PHE A 62 11.068 6.827 5.637 1.00 0.00 C ATOM 883 O PHE A 62 11.326 6.471 4.491 1.00 0.00 O ATOM 884 CB PHE A 62 10.973 9.327 5.533 1.00 0.00 C ATOM 885 CG PHE A 62 11.146 9.382 4.029 1.00 0.00 C ATOM 886 CD1 PHE A 62 12.406 9.465 3.452 1.00 0.00 C ATOM 887 CD2 PHE A 62 10.040 9.362 3.194 1.00 0.00 C ATOM 888 CE1 PHE A 62 12.558 9.524 2.078 1.00 0.00 C ATOM 889 CE2 PHE A 62 10.188 9.420 1.821 1.00 0.00 C ATOM 890 CZ PHE A 62 11.447 9.502 1.263 1.00 0.00 C ATOM 0 H PHE A 62 13.400 9.065 5.595 1.00 0.00 H new ATOM 0 HA PHE A 62 11.415 8.089 7.287 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.907 9.313 5.761 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.380 10.242 5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 62 13.281 9.484 4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.050 9.300 3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.545 9.587 1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.316 9.401 1.184 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.562 9.549 0.190 1.00 0.00 H new ATOM 900 N TYR A 63 10.357 6.116 6.509 1.00 0.00 N ATOM 901 CA TYR A 63 9.327 5.119 6.156 1.00 0.00 C ATOM 902 C TYR A 63 8.786 5.251 4.719 1.00 0.00 C ATOM 903 O TYR A 63 8.717 6.338 4.143 1.00 0.00 O ATOM 904 CB TYR A 63 8.169 5.252 7.170 1.00 0.00 C ATOM 905 CG TYR A 63 7.337 6.540 7.019 1.00 0.00 C ATOM 906 CD1 TYR A 63 7.929 7.748 6.641 1.00 0.00 C ATOM 907 CD2 TYR A 63 5.960 6.546 7.246 1.00 0.00 C ATOM 908 CE1 TYR A 63 7.186 8.904 6.487 1.00 0.00 C ATOM 909 CE2 TYR A 63 5.209 7.707 7.096 1.00 0.00 C ATOM 910 CZ TYR A 63 5.831 8.877 6.714 1.00 0.00 C ATOM 911 OH TYR A 63 5.091 10.027 6.561 1.00 0.00 O ATOM 0 H TYR A 63 10.480 6.215 7.517 1.00 0.00 H new ATOM 0 HA TYR A 63 9.795 4.135 6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 63 7.508 4.392 7.063 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.579 5.215 8.179 1.00 0.00 H new ATOM 0 HD1 TYR A 63 8.994 7.780 6.465 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.468 5.632 7.544 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.668 9.824 6.190 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.144 7.692 7.278 1.00 0.00 H new ATOM 0 HH TYR A 63 4.150 9.839 6.758 1.00 0.00 H new ATOM 921 N LEU A 64 8.329 4.132 4.178 1.00 0.00 N ATOM 922 CA LEU A 64 7.855 4.081 2.803 1.00 0.00 C ATOM 923 C LEU A 64 6.332 4.008 2.793 1.00 0.00 C ATOM 924 O LEU A 64 5.737 3.126 3.418 1.00 0.00 O ATOM 925 CB LEU A 64 8.440 2.841 2.113 1.00 0.00 C ATOM 926 CG LEU A 64 9.712 3.045 1.273 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.507 1.747 1.238 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.344 3.472 -0.147 1.00 0.00 C ATOM 0 H LEU A 64 8.276 3.242 4.673 1.00 0.00 H new ATOM 0 HA LEU A 64 8.174 4.977 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.656 2.097 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.671 2.419 1.466 1.00 0.00 H new ATOM 0 HG LEU A 64 10.319 3.830 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.409 1.889 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.783 1.462 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.899 0.960 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.253 3.613 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.730 2.700 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.786 4.408 -0.112 1.00 0.00 H new ATOM 940 N LEU A 65 5.714 4.951 2.095 1.00 0.00 N ATOM 941 CA LEU A 65 4.262 5.016 1.977 1.00 0.00 C ATOM 942 C LEU A 65 3.851 5.394 0.553 1.00 0.00 C ATOM 943 O LEU A 65 4.527 6.179 -0.107 1.00 0.00 O ATOM 944 CB LEU A 65 3.719 6.055 2.963 1.00 0.00 C ATOM 945 CG LEU A 65 2.240 6.421 2.810 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.353 5.228 3.123 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.894 7.600 3.706 1.00 0.00 C ATOM 0 H LEU A 65 6.204 5.693 1.595 1.00 0.00 H new ATOM 0 HA LEU A 65 3.847 4.035 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.877 5.683 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.310 6.965 2.862 1.00 0.00 H new ATOM 0 HG LEU A 65 2.061 6.709 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.307 5.512 3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.585 4.412 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.530 4.902 4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.840 7.850 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.090 7.337 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.504 8.460 3.428 1.00 0.00 H new ATOM 959 N TYR A 66 2.741 4.829 0.093 1.00 0.00 N ATOM 960 CA TYR A 66 2.184 5.140 -1.222 1.00 0.00 C ATOM 961 C TYR A 66 0.713 5.515 -1.057 1.00 0.00 C ATOM 962 O TYR A 66 0.104 5.138 -0.057 1.00 0.00 O ATOM 963 CB TYR A 66 2.330 3.934 -2.176 1.00 0.00 C ATOM 964 CG TYR A 66 3.768 3.628 -2.584 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.177 3.757 -3.907 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.717 3.214 -1.652 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.477 3.481 -4.291 1.00 0.00 C ATOM 968 CE2 TYR A 66 6.022 2.941 -2.031 1.00 0.00 C ATOM 969 CZ TYR A 66 6.393 3.075 -3.349 1.00 0.00 C ATOM 970 OH TYR A 66 7.685 2.798 -3.727 1.00 0.00 O ATOM 0 H TYR A 66 2.200 4.142 0.619 1.00 0.00 H new ATOM 0 HA TYR A 66 2.730 5.977 -1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.905 3.052 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.742 4.123 -3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.464 4.080 -4.651 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.431 3.104 -0.616 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.771 3.584 -5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.745 2.624 -1.294 1.00 0.00 H new ATOM 0 HH TYR A 66 8.204 2.525 -2.942 1.00 0.00 H new ATOM 980 N TYR A 67 0.128 6.240 -2.015 1.00 0.00 N ATOM 981 CA TYR A 67 -1.257 6.680 -1.852 1.00 0.00 C ATOM 982 C TYR A 67 -2.086 6.528 -3.136 1.00 0.00 C ATOM 983 O TYR A 67 -1.591 6.778 -4.237 1.00 0.00 O ATOM 984 CB TYR A 67 -1.357 8.118 -1.299 1.00 0.00 C ATOM 985 CG TYR A 67 -0.480 9.184 -1.953 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.624 9.703 -1.278 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.775 9.709 -3.210 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.403 10.700 -1.833 1.00 0.00 C ATOM 989 CE2 TYR A 67 0.007 10.703 -3.773 1.00 0.00 C ATOM 990 CZ TYR A 67 1.091 11.195 -3.080 1.00 0.00 C ATOM 991 OH TYR A 67 1.866 12.190 -3.636 1.00 0.00 O ATOM 0 H TYR A 67 0.576 6.527 -2.885 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.689 6.010 -1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.395 8.439 -1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.115 8.088 -0.237 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.875 9.318 -0.301 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.629 9.334 -3.754 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.253 11.089 -1.292 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.232 11.091 -4.752 1.00 0.00 H new ATOM 0 HH TYR A 67 1.512 12.426 -4.519 1.00 0.00 H new ATOM 1001 N THR A 68 -3.352 6.106 -2.978 1.00 0.00 N ATOM 1002 CA THR A 68 -4.293 5.970 -4.098 1.00 0.00 C ATOM 1003 C THR A 68 -5.702 6.381 -3.649 1.00 0.00 C ATOM 1004 O THR A 68 -6.083 6.173 -2.490 1.00 0.00 O ATOM 1005 CB THR A 68 -4.343 4.521 -4.675 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.998 4.518 -5.950 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.094 3.559 -3.769 1.00 0.00 C ATOM 0 H THR A 68 -3.749 5.851 -2.074 1.00 0.00 H new ATOM 0 HA THR A 68 -3.935 6.627 -4.890 1.00 0.00 H new ATOM 0 HB THR A 68 -3.308 4.190 -4.761 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.022 3.604 -6.303 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.099 2.566 -4.217 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.603 3.516 -2.797 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.120 3.905 -3.642 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.441 7.006 -4.561 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.848 7.362 -4.340 1.00 0.00 C ATOM 1017 C GLU A 69 -8.702 6.101 -4.177 1.00 0.00 C ATOM 1018 O GLU A 69 -8.513 5.130 -4.915 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.376 8.171 -5.534 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.589 9.040 -5.213 1.00 0.00 C ATOM 1021 CD GLU A 69 -10.022 9.878 -6.398 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -9.256 10.774 -6.811 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -11.132 9.652 -6.922 1.00 0.00 O ATOM 0 H GLU A 69 -6.085 7.282 -5.476 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.911 7.959 -3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.575 8.808 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.638 7.483 -6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.416 8.404 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.353 9.695 -4.374 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.627 6.098 -3.214 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.507 4.947 -3.022 1.00 0.00 C ATOM 1032 C PHE A 70 -11.943 5.369 -2.735 1.00 0.00 C ATOM 1033 O PHE A 70 -12.203 6.519 -2.401 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.983 4.050 -1.884 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.140 4.576 -0.469 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -11.376 4.950 0.039 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -9.041 4.661 0.365 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -11.509 5.392 1.338 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -9.173 5.110 1.670 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.410 5.473 2.152 1.00 0.00 C ATOM 0 H PHE A 70 -9.784 6.869 -2.564 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.507 4.382 -3.954 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.493 3.089 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.924 3.861 -2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -12.249 4.894 -0.594 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.068 4.374 -0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -12.481 5.675 1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.305 5.175 2.309 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.514 5.821 3.169 1.00 0.00 H new ATOM 1050 N THR A 71 -12.867 4.431 -2.902 1.00 0.00 N ATOM 1051 CA THR A 71 -14.219 4.560 -2.377 1.00 0.00 C ATOM 1052 C THR A 71 -14.690 3.194 -1.852 1.00 0.00 C ATOM 1053 O THR A 71 -14.818 2.250 -2.629 1.00 0.00 O ATOM 1054 CB THR A 71 -15.176 5.078 -3.476 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.703 6.340 -3.968 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.591 5.243 -2.949 1.00 0.00 C ATOM 0 H THR A 71 -12.699 3.560 -3.405 1.00 0.00 H new ATOM 0 HA THR A 71 -14.223 5.280 -1.559 1.00 0.00 H new ATOM 0 HB THR A 71 -15.195 4.343 -4.280 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.309 6.667 -4.665 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.236 5.608 -3.748 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.962 4.281 -2.594 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.592 5.958 -2.126 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.899 3.035 -0.520 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.275 1.739 0.043 1.00 0.00 C ATOM 1066 C PRO A 72 -16.699 1.332 -0.258 1.00 0.00 C ATOM 1067 O PRO A 72 -17.612 2.152 -0.324 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.085 1.888 1.558 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.667 3.306 1.816 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.778 4.076 0.525 1.00 0.00 C ATOM 0 HA PRO A 72 -14.659 0.956 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.010 1.658 2.086 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.329 1.192 1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.300 3.755 2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.644 3.338 2.190 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.646 4.736 0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.902 4.703 0.361 1.00 0.00 H new ATOM 1078 N THR A 73 -16.837 0.035 -0.429 1.00 0.00 N ATOM 1079 CA THR A 73 -18.101 -0.630 -0.641 1.00 0.00 C ATOM 1080 C THR A 73 -18.045 -1.913 0.175 1.00 0.00 C ATOM 1081 O THR A 73 -16.950 -2.332 0.562 1.00 0.00 O ATOM 1082 CB THR A 73 -18.310 -0.991 -2.133 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.406 -2.040 -2.504 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.083 0.211 -3.039 1.00 0.00 C ATOM 0 H THR A 73 -16.044 -0.606 -0.424 1.00 0.00 H new ATOM 0 HA THR A 73 -18.923 0.021 -0.345 1.00 0.00 H new ATOM 0 HB THR A 73 -19.342 -1.319 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.937 -1.791 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.239 -0.082 -4.077 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.785 1.003 -2.776 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.063 0.574 -2.913 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.183 -2.528 0.471 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.164 -3.836 1.128 1.00 0.00 C ATOM 1094 C GLU A 74 -18.687 -4.951 0.194 1.00 0.00 C ATOM 1095 O GLU A 74 -18.741 -6.126 0.555 1.00 0.00 O ATOM 1096 CB GLU A 74 -20.508 -4.206 1.768 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.733 -4.000 0.904 1.00 0.00 C ATOM 1098 CD GLU A 74 -22.993 -4.457 1.611 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -23.356 -3.846 2.640 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -23.618 -5.438 1.155 1.00 0.00 O ATOM 0 H GLU A 74 -20.112 -2.156 0.274 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.438 -3.740 1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.470 -5.254 2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -20.628 -3.620 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -21.823 -2.945 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.618 -4.551 -0.030 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.255 -4.598 -1.015 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.799 -5.600 -1.965 1.00 0.00 C ATOM 1109 C LYS A 75 -16.281 -5.557 -2.160 1.00 0.00 C ATOM 1110 O LYS A 75 -15.641 -6.604 -2.257 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.500 -5.419 -3.321 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.036 -5.436 -3.279 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.630 -6.836 -3.397 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.430 -7.677 -2.147 1.00 0.00 C ATOM 1115 NZ LYS A 75 -21.144 -8.977 -2.238 1.00 0.00 N ATOM 0 H LYS A 75 -18.213 -3.637 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.058 -6.574 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.176 -4.473 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.163 -6.209 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.372 -4.985 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.421 -4.817 -4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.697 -6.755 -3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.176 -7.346 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.366 -7.856 -1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.787 -7.126 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.984 -9.523 -1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -22.163 -8.806 -2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -20.785 -9.514 -3.054 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.697 -4.361 -2.211 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.294 -4.234 -2.585 1.00 0.00 C ATOM 1131 C ASP A 76 -13.355 -4.226 -1.364 1.00 0.00 C ATOM 1132 O ASP A 76 -13.543 -3.466 -0.413 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.073 -2.968 -3.425 1.00 0.00 C ATOM 1134 CG ASP A 76 -15.040 -2.851 -4.588 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -15.860 -1.911 -4.594 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -14.970 -3.693 -5.508 1.00 0.00 O ATOM 0 H ASP A 76 -16.167 -3.480 -2.001 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.046 -5.113 -3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.176 -2.092 -2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.052 -2.966 -3.807 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.338 -5.079 -1.442 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.285 -5.241 -0.430 1.00 0.00 C ATOM 1143 C GLU A 77 -10.050 -4.455 -0.895 1.00 0.00 C ATOM 1144 O GLU A 77 -9.808 -4.346 -2.101 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.020 -6.760 -0.341 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.858 -7.248 0.515 1.00 0.00 C ATOM 1147 CD GLU A 77 -8.562 -7.391 -0.270 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -7.978 -6.378 -0.685 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -8.140 -8.548 -0.489 1.00 0.00 O ATOM 0 H GLU A 77 -12.215 -5.703 -2.240 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.558 -4.860 0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.928 -7.233 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.862 -7.129 -1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.703 -6.551 1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.118 -8.210 0.956 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.308 -3.860 0.038 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.076 -3.133 -0.309 1.00 0.00 C ATOM 1158 C TYR A 78 -6.856 -3.761 0.363 1.00 0.00 C ATOM 1159 O TYR A 78 -6.850 -3.979 1.578 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.194 -1.656 0.088 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.234 -0.901 -0.711 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -8.863 -0.066 -1.758 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -10.586 -1.032 -0.425 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -9.812 0.614 -2.498 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -11.539 -0.352 -1.161 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.147 0.469 -2.194 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.095 1.138 -2.935 1.00 0.00 O ATOM 0 H TYR A 78 -9.531 -3.863 1.033 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.943 -3.200 -1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.442 -1.591 1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.225 -1.174 -0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.817 0.054 -1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.898 -1.675 0.385 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.508 1.256 -3.311 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.587 -0.465 -0.926 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.897 1.278 -2.390 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.825 -4.043 -0.433 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.627 -4.728 0.044 1.00 0.00 C ATOM 1179 C ALA A 79 -3.357 -4.031 -0.451 1.00 0.00 C ATOM 1180 O ALA A 79 -3.408 -3.244 -1.389 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.649 -6.168 -0.442 1.00 0.00 C ATOM 0 H ALA A 79 -5.798 -3.803 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.621 -4.702 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.757 -6.685 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.536 -6.669 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.670 -6.184 -1.532 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.224 -4.299 0.193 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.945 -3.776 -0.282 1.00 0.00 C ATOM 1189 C CYS A 80 0.078 -4.911 -0.441 1.00 0.00 C ATOM 1190 O CYS A 80 0.241 -5.731 0.462 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.430 -2.700 0.673 1.00 0.00 C ATOM 1192 SG CYS A 80 1.242 -2.087 0.298 1.00 0.00 S ATOM 0 H CYS A 80 -2.164 -4.869 1.037 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.093 -3.322 -1.262 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.123 -1.858 0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.437 -3.100 1.687 1.00 0.00 H new ATOM 1197 N ARG A 81 0.729 -4.976 -1.605 1.00 0.00 N ATOM 1198 CA ARG A 81 1.664 -6.059 -1.932 1.00 0.00 C ATOM 1199 C ARG A 81 3.107 -5.553 -1.897 1.00 0.00 C ATOM 1200 O ARG A 81 3.408 -4.533 -2.512 1.00 0.00 O ATOM 1201 CB ARG A 81 1.345 -6.574 -3.343 1.00 0.00 C ATOM 1202 CG ARG A 81 1.807 -8.002 -3.641 1.00 0.00 C ATOM 1203 CD ARG A 81 1.039 -8.597 -4.833 1.00 0.00 C ATOM 1204 NE ARG A 81 1.242 -7.815 -6.053 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.563 -7.991 -7.187 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -0.388 -8.915 -7.271 1.00 0.00 N ATOM 1207 NH2 ARG A 81 0.846 -7.235 -8.241 1.00 0.00 N ATOM 0 H ARG A 81 0.624 -4.283 -2.346 1.00 0.00 H new ATOM 0 HA ARG A 81 1.557 -6.858 -1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.267 -6.520 -3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.804 -5.903 -4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.876 -8.004 -3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.658 -8.627 -2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.365 -9.623 -5.000 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.025 -8.635 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 81 1.953 -7.084 -6.035 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.605 -9.498 -6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.901 -9.041 -8.144 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.577 -6.527 -8.179 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.332 -7.362 -9.113 1.00 0.00 H new ATOM 1221 N VAL A 82 3.999 -6.249 -1.189 1.00 0.00 N ATOM 1222 CA VAL A 82 5.409 -5.857 -1.184 1.00 0.00 C ATOM 1223 C VAL A 82 6.325 -7.060 -1.402 1.00 0.00 C ATOM 1224 O VAL A 82 6.092 -8.150 -0.874 1.00 0.00 O ATOM 1225 CB VAL A 82 5.824 -5.106 0.114 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.163 -6.071 1.239 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.991 -4.165 -0.156 1.00 0.00 C ATOM 0 H VAL A 82 3.777 -7.069 -0.624 1.00 0.00 H new ATOM 0 HA VAL A 82 5.527 -5.164 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 82 4.968 -4.514 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.448 -5.508 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.293 -6.688 1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.992 -6.710 0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.264 -3.651 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.844 -4.738 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.701 -3.432 -0.908 1.00 0.00 H new ATOM 1237 N ASN A 83 7.338 -6.845 -2.225 1.00 0.00 N ATOM 1238 CA ASN A 83 8.346 -7.862 -2.496 1.00 0.00 C ATOM 1239 C ASN A 83 9.745 -7.296 -2.364 1.00 0.00 C ATOM 1240 O ASN A 83 9.995 -6.134 -2.694 1.00 0.00 O ATOM 1241 CB ASN A 83 8.151 -8.449 -3.898 1.00 0.00 C ATOM 1242 CG ASN A 83 8.984 -9.698 -4.127 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.286 -10.437 -3.190 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.345 -9.951 -5.375 1.00 0.00 N ATOM 0 H ASN A 83 7.486 -5.967 -2.722 1.00 0.00 H new ATOM 0 HA ASN A 83 8.226 -8.654 -1.757 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.098 -8.687 -4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.416 -7.698 -4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.894 -10.784 -5.588 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.074 -9.313 -6.123 1.00 0.00 H new ATOM 1251 N HIS A 84 10.643 -8.127 -1.866 1.00 0.00 N ATOM 1252 CA HIS A 84 12.050 -7.797 -1.775 1.00 0.00 C ATOM 1253 C HIS A 84 12.842 -9.026 -2.190 1.00 0.00 C ATOM 1254 O HIS A 84 12.365 -10.150 -2.054 1.00 0.00 O ATOM 1255 CB HIS A 84 12.433 -7.377 -0.348 1.00 0.00 C ATOM 1256 CG HIS A 84 13.764 -6.686 -0.261 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.944 -7.381 -0.366 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.043 -5.376 -0.081 1.00 0.00 C ATOM 1259 CE1 HIS A 84 15.906 -6.484 -0.246 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.409 -5.256 -0.073 1.00 0.00 N ATOM 0 H HIS A 84 10.413 -9.055 -1.512 1.00 0.00 H new ATOM 0 HA HIS A 84 12.272 -6.954 -2.430 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.663 -6.714 0.046 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.450 -8.261 0.290 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.327 -4.576 0.035 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.961 -6.714 -0.283 1.00 0.00 H new ATOM 0 HE2 HIS A 84 15.943 -4.395 0.043 1.00 0.00 H new ATOM 1268 N VAL A 85 14.043 -8.796 -2.696 1.00 0.00 N ATOM 1269 CA VAL A 85 14.886 -9.862 -3.240 1.00 0.00 C ATOM 1270 C VAL A 85 15.346 -10.864 -2.171 1.00 0.00 C ATOM 1271 O VAL A 85 16.043 -11.837 -2.466 1.00 0.00 O ATOM 1272 CB VAL A 85 16.063 -9.274 -4.050 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.038 -8.470 -3.212 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.781 -10.343 -4.870 1.00 0.00 C ATOM 0 H VAL A 85 14.465 -7.869 -2.744 1.00 0.00 H new ATOM 0 HA VAL A 85 14.271 -10.440 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 85 15.611 -8.566 -4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.837 -8.089 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.515 -7.634 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.464 -9.108 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.601 -9.887 -5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.176 -11.109 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 85 16.079 -10.797 -5.570 1.00 0.00 H new ATOM 1284 N THR A 86 14.954 -10.627 -0.931 1.00 0.00 N ATOM 1285 CA THR A 86 15.151 -11.616 0.114 1.00 0.00 C ATOM 1286 C THR A 86 13.995 -12.623 0.092 1.00 0.00 C ATOM 1287 O THR A 86 14.214 -13.836 0.060 1.00 0.00 O ATOM 1288 CB THR A 86 15.268 -10.963 1.512 1.00 0.00 C ATOM 1289 OG1 THR A 86 14.854 -11.874 2.542 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.435 -9.693 1.564 1.00 0.00 C ATOM 0 H THR A 86 14.501 -9.766 -0.625 1.00 0.00 H new ATOM 0 HA THR A 86 16.091 -12.131 -0.082 1.00 0.00 H new ATOM 0 HB THR A 86 16.314 -10.710 1.686 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.938 -11.439 3.416 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.523 -9.240 2.552 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.793 -8.992 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.390 -9.935 1.368 1.00 0.00 H new ATOM 1298 N LEU A 87 12.763 -12.105 0.103 1.00 0.00 N ATOM 1299 CA LEU A 87 11.569 -12.941 -0.031 1.00 0.00 C ATOM 1300 C LEU A 87 11.570 -13.673 -1.376 1.00 0.00 C ATOM 1301 O LEU A 87 12.217 -13.244 -2.333 1.00 0.00 O ATOM 1302 CB LEU A 87 10.285 -12.099 0.058 1.00 0.00 C ATOM 1303 CG LEU A 87 10.180 -11.143 1.248 1.00 0.00 C ATOM 1304 CD1 LEU A 87 9.058 -10.146 1.023 1.00 0.00 C ATOM 1305 CD2 LEU A 87 9.946 -11.921 2.536 1.00 0.00 C ATOM 0 H LEU A 87 12.568 -11.109 0.204 1.00 0.00 H new ATOM 0 HA LEU A 87 11.590 -13.660 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.195 -11.515 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.433 -12.778 0.089 1.00 0.00 H new ATOM 0 HG LEU A 87 11.119 -10.597 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.994 -9.472 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.259 -9.570 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.114 -10.680 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.874 -11.226 3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.019 -12.489 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.777 -12.606 2.704 1.00 0.00 H new ATOM 1317 N SER A 88 10.845 -14.776 -1.435 1.00 0.00 N ATOM 1318 CA SER A 88 10.667 -15.527 -2.671 1.00 0.00 C ATOM 1319 C SER A 88 9.213 -15.386 -3.124 1.00 0.00 C ATOM 1320 O SER A 88 8.800 -15.911 -4.160 1.00 0.00 O ATOM 1321 CB SER A 88 11.028 -16.999 -2.436 1.00 0.00 C ATOM 1322 OG SER A 88 11.133 -17.716 -3.654 1.00 0.00 O ATOM 0 H SER A 88 10.363 -15.178 -0.631 1.00 0.00 H new ATOM 0 HA SER A 88 11.322 -15.138 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.973 -17.060 -1.896 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.270 -17.463 -1.805 1.00 0.00 H new ATOM 0 HG SER A 88 10.424 -17.427 -4.266 1.00 0.00 H new ATOM 1328 N GLN A 89 8.448 -14.659 -2.318 1.00 0.00 N ATOM 1329 CA GLN A 89 7.035 -14.426 -2.567 1.00 0.00 C ATOM 1330 C GLN A 89 6.597 -13.121 -1.889 1.00 0.00 C ATOM 1331 O GLN A 89 6.812 -12.954 -0.687 1.00 0.00 O ATOM 1332 CB GLN A 89 6.205 -15.614 -2.036 1.00 0.00 C ATOM 1333 CG GLN A 89 6.400 -15.909 -0.547 1.00 0.00 C ATOM 1334 CD GLN A 89 5.642 -17.137 -0.079 1.00 0.00 C ATOM 1335 OE1 GLN A 89 5.214 -17.211 1.070 1.00 0.00 O ATOM 1336 NE2 GLN A 89 5.483 -18.112 -0.960 1.00 0.00 N ATOM 0 H GLN A 89 8.795 -14.213 -1.469 1.00 0.00 H new ATOM 0 HA GLN A 89 6.868 -14.337 -3.640 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.149 -15.414 -2.219 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.464 -16.506 -2.607 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.462 -16.047 -0.346 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.075 -15.046 0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.854 -18.011 -1.905 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.990 -18.964 -0.694 1.00 0.00 H new ATOM 1345 N PRO A 90 6.019 -12.152 -2.637 1.00 0.00 N ATOM 1346 CA PRO A 90 5.487 -10.933 -2.021 1.00 0.00 C ATOM 1347 C PRO A 90 4.288 -11.223 -1.144 1.00 0.00 C ATOM 1348 O PRO A 90 3.602 -12.233 -1.322 1.00 0.00 O ATOM 1349 CB PRO A 90 5.061 -10.048 -3.185 1.00 0.00 C ATOM 1350 CG PRO A 90 4.930 -10.966 -4.361 1.00 0.00 C ATOM 1351 CD PRO A 90 5.868 -12.145 -4.110 1.00 0.00 C ATOM 0 HA PRO A 90 6.236 -10.466 -1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.117 -9.547 -2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.799 -9.269 -3.376 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.901 -11.308 -4.471 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.195 -10.451 -5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.445 -13.081 -4.476 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.826 -12.011 -4.612 1.00 0.00 H new ATOM 1359 N LYS A 91 4.024 -10.335 -0.209 1.00 0.00 N ATOM 1360 CA LYS A 91 2.930 -10.534 0.715 1.00 0.00 C ATOM 1361 C LYS A 91 1.794 -9.569 0.398 1.00 0.00 C ATOM 1362 O LYS A 91 2.023 -8.476 -0.120 1.00 0.00 O ATOM 1363 CB LYS A 91 3.382 -10.317 2.165 1.00 0.00 C ATOM 1364 CG LYS A 91 4.743 -10.922 2.526 1.00 0.00 C ATOM 1365 CD LYS A 91 4.829 -12.424 2.267 1.00 0.00 C ATOM 1366 CE LYS A 91 4.209 -13.247 3.394 1.00 0.00 C ATOM 1367 NZ LYS A 91 2.719 -13.225 3.354 1.00 0.00 N ATOM 0 H LYS A 91 4.550 -9.472 -0.070 1.00 0.00 H new ATOM 0 HA LYS A 91 2.585 -11.562 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.416 -9.245 2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.628 -10.738 2.830 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.520 -10.417 1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.949 -10.730 3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.323 -12.658 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.874 -12.709 2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.557 -14.277 3.323 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.551 -12.860 4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.351 -14.162 3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.364 -12.515 4.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.401 -12.982 2.394 1.00 0.00 H new ATOM 1381 N ILE A 92 0.582 -9.994 0.706 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.577 -9.124 0.623 1.00 0.00 C ATOM 1383 C ILE A 92 -1.091 -8.828 2.019 1.00 0.00 C ATOM 1384 O ILE A 92 -1.226 -9.724 2.855 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.723 -9.680 -0.286 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.714 -8.979 -1.652 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.090 -9.520 0.362 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.423 -7.505 -1.565 1.00 0.00 C ATOM 0 H ILE A 92 0.374 -10.943 1.018 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.246 -8.203 0.142 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.537 -10.745 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.968 -9.452 -2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.682 -9.123 -2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.857 -9.919 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.111 -10.063 1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.284 -8.463 0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.432 -7.073 -2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.183 -7.020 -0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.443 -7.354 -1.113 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.319 -7.557 2.274 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.911 -7.114 3.515 1.00 0.00 C ATOM 1402 C VAL A 93 -3.248 -6.464 3.213 1.00 0.00 C ATOM 1403 O VAL A 93 -3.310 -5.472 2.493 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.999 -6.116 4.258 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.630 -4.931 3.386 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.657 -5.652 5.548 1.00 0.00 C ATOM 0 H VAL A 93 -1.098 -6.802 1.625 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.046 -7.979 4.164 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.074 -6.637 4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.013 -4.253 3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.101 -5.282 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.536 -4.406 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.000 -4.949 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.604 -5.163 5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.840 -6.512 6.193 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.316 -7.017 3.741 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.633 -6.520 3.415 1.00 0.00 C ATOM 1418 C LYS A 94 -6.188 -5.745 4.590 1.00 0.00 C ATOM 1419 O LYS A 94 -6.013 -6.142 5.747 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.562 -7.664 3.054 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.997 -8.568 1.984 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.612 -9.957 2.050 1.00 0.00 C ATOM 1423 CE LYS A 94 -6.104 -10.750 3.247 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.579 -12.158 3.220 1.00 0.00 N ATOM 0 H LYS A 94 -4.300 -7.803 4.391 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.557 -5.859 2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.768 -8.253 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.514 -7.258 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.183 -8.132 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.916 -8.641 2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.697 -9.871 2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.383 -10.499 1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.014 -10.735 3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.438 -10.272 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.212 -12.664 4.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.619 -12.174 3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.239 -12.622 2.354 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.860 -4.655 4.295 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.312 -3.756 5.342 1.00 0.00 C ATOM 1440 C TRP A 95 -8.557 -4.306 6.041 1.00 0.00 C ATOM 1441 O TRP A 95 -9.590 -4.552 5.412 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.544 -2.329 4.803 1.00 0.00 C ATOM 1443 CG TRP A 95 -8.063 -1.368 5.842 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.576 -1.150 7.109 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.176 -0.483 5.691 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.340 -0.223 7.757 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.327 0.210 6.912 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.062 -0.213 4.641 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.333 1.146 7.115 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.056 0.719 4.842 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.191 1.388 6.065 1.00 0.00 C ATOM 0 H TRP A 95 -7.106 -4.368 3.348 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.519 -3.691 6.087 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.607 -1.945 4.401 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.252 -2.373 3.975 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.712 -1.642 7.531 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.199 0.096 8.716 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -9.968 -0.724 3.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.438 1.663 8.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.745 0.938 4.040 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.985 2.109 6.187 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.413 -4.520 7.349 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.489 -5.078 8.198 1.00 0.00 C ATOM 1464 C ASP A 96 -10.766 -4.244 8.105 1.00 0.00 C ATOM 1465 O ASP A 96 -10.892 -3.222 8.779 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.075 -5.173 9.680 1.00 0.00 C ATOM 1467 CG ASP A 96 -9.747 -6.330 10.386 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -10.832 -6.126 10.961 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -9.176 -7.437 10.393 1.00 0.00 O ATOM 0 H ASP A 96 -7.553 -4.315 7.858 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.675 -6.082 7.817 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.993 -5.287 9.747 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.329 -4.242 10.187 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.719 -4.706 7.290 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.015 -4.037 7.146 1.00 0.00 C ATOM 1476 C ARG A 97 -13.883 -4.807 6.151 1.00 0.00 C ATOM 1477 O ARG A 97 -15.094 -4.606 6.073 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.809 -2.575 6.686 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.709 -2.386 5.160 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.076 -2.249 4.484 1.00 0.00 C ATOM 1481 NE ARG A 97 -13.969 -2.234 3.029 1.00 0.00 N ATOM 1482 CZ ARG A 97 -13.588 -1.180 2.323 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -13.243 -0.056 2.938 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -13.553 -1.247 1.000 1.00 0.00 N ATOM 0 H ARG A 97 -11.616 -5.544 6.718 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.525 -4.020 8.109 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.636 -1.971 7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.900 -2.189 7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.114 -1.498 4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.180 -3.235 4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.717 -3.076 4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.557 -1.331 4.821 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.202 -3.089 2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -13.271 -0.003 3.956 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.950 0.755 2.393 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -13.819 -2.110 0.526 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -13.260 -0.436 0.456 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.247 -5.717 5.433 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.868 -6.401 4.298 1.00 0.00 C ATOM 1500 C ASP A 98 -13.151 -7.721 3.984 1.00 0.00 C ATOM 1501 O ASP A 98 -13.709 -8.585 3.313 1.00 0.00 O ATOM 1502 CB ASP A 98 -13.828 -5.491 3.069 1.00 0.00 C ATOM 1503 CG ASP A 98 -14.507 -6.101 1.855 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -15.694 -5.796 1.625 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -13.859 -6.882 1.128 1.00 0.00 O ATOM 0 H ASP A 98 -12.286 -6.006 5.616 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.901 -6.629 4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.310 -4.543 3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.790 -5.267 2.823 1.00 0.00 H new ATOM 1510 N MET A 99 -11.938 -7.873 4.526 1.00 0.00 N ATOM 1511 CA MET A 99 -11.043 -8.999 4.217 1.00 0.00 C ATOM 1512 C MET A 99 -11.757 -10.347 4.286 1.00 0.00 C ATOM 1513 CB MET A 99 -9.826 -9.023 5.169 1.00 0.00 C ATOM 1514 CG MET A 99 -9.838 -7.963 6.296 1.00 0.00 C ATOM 1515 SD MET A 99 -11.353 -7.936 7.284 1.00 0.00 S ATOM 1516 CE MET A 99 -11.230 -9.495 8.158 1.00 0.00 C ATOM 0 H MET A 99 -11.544 -7.214 5.197 1.00 0.00 H new ATOM 0 HA MET A 99 -10.704 -8.843 3.193 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.763 -10.011 5.625 1.00 0.00 H new ATOM 0 HB3 MET A 99 -8.921 -8.887 4.577 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.991 -8.145 6.958 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.691 -6.978 5.853 1.00 0.00 H new ATOM 0 HE1 MET A 99 -12.097 -9.617 8.808 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.197 -10.314 7.439 1.00 0.00 H new ATOM 0 HE3 MET A 99 -10.321 -9.504 8.760 1.00 0.00 H new TER 1525 MET A 99