USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 778 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 3 SER OG : rot 180:sc=-0.00474 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 31:sc= 0.323 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.988 K(o=-0.99,f=-3.2!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 77:sc= 0.992 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.3!) USER MOD Single : A 44 ASN : amide:sc= -0.635 X(o=-0.63,f=-0.55) USER MOD Single : A 45 THR OG1 : rot -175:sc= 0.332 USER MOD Single : A 46 HIS : no HD1:sc= -0.859 K(o=-0.86,f=-2.5!) USER MOD Single : A 47 MET CE :methyl -126:sc= -1.16 (180deg=-3.57!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 55 GLN : amide:sc= -1.16 K(o=-1.2,f=-5.9!) USER MOD Single : A 56 HIS : no HE2:sc= -1.04 K(o=-1,f=-2.6) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 151:sc=-0.00248 (180deg=-0.934) USER MOD Single : A 77 MET CE :methyl 147:sc= -3.35! (180deg=-4.98!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -178:sc= 0.804 (180deg=0.803) USER MOD Single : A 90 ASN : amide:sc= -1.84! C(o=-1.8!,f=-4.7!) USER MOD Single : A 91 LYS NZ :NH3+ -132:sc= -2.12 (180deg=-4.3!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS :FLIP no HE2:sc= -0.75! C(o=-2.7!,f=-0.75!) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.252) USER MOD Single : A 98 ASN : amide:sc= -0.0642 K(o=-0.064,f=-1.1) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.328 -0.358 16.315 1.00 0.00 N ATOM 2 CA GLY A 1 17.744 -0.115 14.946 1.00 0.00 C ATOM 3 C GLY A 1 17.077 1.106 14.345 1.00 0.00 C ATOM 4 O GLY A 1 15.863 1.121 14.141 1.00 0.00 O ATOM 0 H1 GLY A 1 17.812 -1.203 16.680 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.574 0.463 16.904 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.299 -0.509 16.344 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.826 0.014 14.916 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.510 -0.989 14.338 1.00 0.00 H new ATOM 8 N SER A 2 17.871 2.134 14.064 1.00 0.00 N ATOM 9 CA SER A 2 17.349 3.369 13.488 1.00 0.00 C ATOM 10 C SER A 2 18.010 3.664 12.146 1.00 0.00 C ATOM 11 O SER A 2 19.022 3.059 11.793 1.00 0.00 O ATOM 12 CB SER A 2 17.573 4.538 14.449 1.00 0.00 C ATOM 13 OG SER A 2 18.955 4.750 14.681 1.00 0.00 O ATOM 0 H SER A 2 18.878 2.137 14.226 1.00 0.00 H new ATOM 0 HA SER A 2 16.279 3.242 13.325 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.127 5.443 14.036 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.069 4.337 15.394 1.00 0.00 H new ATOM 0 HG SER A 2 19.072 5.503 15.297 1.00 0.00 H new ATOM 19 N SER A 3 17.429 4.599 11.400 1.00 0.00 N ATOM 20 CA SER A 3 17.959 4.973 10.094 1.00 0.00 C ATOM 21 C SER A 3 18.569 3.766 9.389 1.00 0.00 C ATOM 22 O SER A 3 19.638 3.858 8.788 1.00 0.00 O ATOM 23 CB SER A 3 19.009 6.076 10.243 1.00 0.00 C ATOM 24 OG SER A 3 20.096 5.640 11.041 1.00 0.00 O ATOM 0 H SER A 3 16.592 5.111 11.678 1.00 0.00 H new ATOM 0 HA SER A 3 17.134 5.346 9.488 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.372 6.372 9.259 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.553 6.958 10.694 1.00 0.00 H new ATOM 0 HG SER A 3 20.754 6.362 11.120 1.00 0.00 H new ATOM 30 N GLY A 4 17.879 2.631 9.468 1.00 0.00 N ATOM 31 CA GLY A 4 18.368 1.421 8.833 1.00 0.00 C ATOM 32 C GLY A 4 17.864 1.267 7.412 1.00 0.00 C ATOM 33 O GLY A 4 16.937 0.499 7.155 1.00 0.00 O ATOM 0 H GLY A 4 16.991 2.529 9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.458 1.431 8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.059 0.556 9.420 1.00 0.00 H new ATOM 37 N SER A 5 18.474 2.001 6.487 1.00 0.00 N ATOM 38 CA SER A 5 18.079 1.947 5.084 1.00 0.00 C ATOM 39 C SER A 5 19.294 1.747 4.184 1.00 0.00 C ATOM 40 O SER A 5 20.235 2.541 4.208 1.00 0.00 O ATOM 41 CB SER A 5 17.343 3.229 4.691 1.00 0.00 C ATOM 42 OG SER A 5 18.146 4.371 4.928 1.00 0.00 O ATOM 0 H SER A 5 19.244 2.640 6.684 1.00 0.00 H new ATOM 0 HA SER A 5 17.409 1.097 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.069 3.186 3.637 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.416 3.308 5.259 1.00 0.00 H new ATOM 0 HG SER A 5 19.091 4.135 4.819 1.00 0.00 H new ATOM 48 N SER A 6 19.266 0.681 3.391 1.00 0.00 N ATOM 49 CA SER A 6 20.367 0.373 2.485 1.00 0.00 C ATOM 50 C SER A 6 20.217 1.134 1.171 1.00 0.00 C ATOM 51 O SER A 6 19.107 1.451 0.747 1.00 0.00 O ATOM 52 CB SER A 6 20.426 -1.131 2.213 1.00 0.00 C ATOM 53 OG SER A 6 21.047 -1.819 3.285 1.00 0.00 O ATOM 0 H SER A 6 18.493 0.016 3.357 1.00 0.00 H new ATOM 0 HA SER A 6 21.296 0.685 2.962 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.417 -1.517 2.065 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.977 -1.316 1.291 1.00 0.00 H new ATOM 0 HG SER A 6 21.071 -2.779 3.088 1.00 0.00 H new ATOM 59 N GLY A 7 21.346 1.423 0.530 1.00 0.00 N ATOM 60 CA GLY A 7 21.319 2.144 -0.729 1.00 0.00 C ATOM 61 C GLY A 7 20.684 3.514 -0.600 1.00 0.00 C ATOM 62 O GLY A 7 20.046 3.834 0.403 1.00 0.00 O ATOM 0 H GLY A 7 22.278 1.171 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.337 2.253 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.769 1.560 -1.467 1.00 0.00 H new ATOM 66 N PRO A 8 20.857 4.351 -1.634 1.00 0.00 N ATOM 67 CA PRO A 8 20.303 5.708 -1.655 1.00 0.00 C ATOM 68 C PRO A 8 18.784 5.713 -1.779 1.00 0.00 C ATOM 69 O PRO A 8 18.242 5.799 -2.881 1.00 0.00 O ATOM 70 CB PRO A 8 20.943 6.333 -2.897 1.00 0.00 C ATOM 71 CG PRO A 8 21.263 5.177 -3.781 1.00 0.00 C ATOM 72 CD PRO A 8 21.605 4.036 -2.862 1.00 0.00 C ATOM 0 HA PRO A 8 20.514 6.248 -0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 8 20.261 7.029 -3.386 1.00 0.00 H new ATOM 0 HB3 PRO A 8 21.841 6.895 -2.639 1.00 0.00 H new ATOM 0 HG2 PRO A 8 20.414 4.925 -4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 8 22.098 5.410 -4.442 1.00 0.00 H new ATOM 0 HD2 PRO A 8 21.302 3.077 -3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 8 22.677 3.978 -2.676 1.00 0.00 H new ATOM 80 N ILE A 9 18.102 5.620 -0.642 1.00 0.00 N ATOM 81 CA ILE A 9 16.644 5.615 -0.624 1.00 0.00 C ATOM 82 C ILE A 9 16.098 6.883 0.024 1.00 0.00 C ATOM 83 O ILE A 9 15.320 7.618 -0.584 1.00 0.00 O ATOM 84 CB ILE A 9 16.094 4.389 0.128 1.00 0.00 C ATOM 85 CG1 ILE A 9 16.694 3.102 -0.442 1.00 0.00 C ATOM 86 CG2 ILE A 9 14.576 4.354 0.046 1.00 0.00 C ATOM 87 CD1 ILE A 9 16.391 2.893 -1.909 1.00 0.00 C ATOM 0 H ILE A 9 18.536 5.547 0.278 1.00 0.00 H new ATOM 0 HA ILE A 9 16.316 5.570 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 9 16.380 4.467 1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 9 17.775 3.121 -0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.314 2.252 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.203 3.482 0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 9 14.166 5.259 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.269 4.296 -0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 9 16.847 1.962 -2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.312 2.842 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.795 3.725 -2.486 1.00 0.00 H new ATOM 99 N SER A 10 16.512 7.133 1.262 1.00 0.00 N ATOM 100 CA SER A 10 16.063 8.311 1.995 1.00 0.00 C ATOM 101 C SER A 10 14.623 8.660 1.632 1.00 0.00 C ATOM 102 O SER A 10 14.288 9.827 1.432 1.00 0.00 O ATOM 103 CB SER A 10 16.978 9.501 1.699 1.00 0.00 C ATOM 104 OG SER A 10 18.205 9.388 2.399 1.00 0.00 O ATOM 0 H SER A 10 17.158 6.536 1.778 1.00 0.00 H new ATOM 0 HA SER A 10 16.106 8.084 3.060 1.00 0.00 H new ATOM 0 HB2 SER A 10 17.171 9.558 0.628 1.00 0.00 H new ATOM 0 HB3 SER A 10 16.478 10.427 1.982 1.00 0.00 H new ATOM 0 HG SER A 10 18.772 10.160 2.191 1.00 0.00 H new ATOM 110 N GLU A 11 13.776 7.638 1.551 1.00 0.00 N ATOM 111 CA GLU A 11 12.371 7.837 1.212 1.00 0.00 C ATOM 112 C GLU A 11 11.671 8.686 2.268 1.00 0.00 C ATOM 113 O GLU A 11 11.699 8.365 3.457 1.00 0.00 O ATOM 114 CB GLU A 11 11.662 6.488 1.074 1.00 0.00 C ATOM 115 CG GLU A 11 11.745 5.626 2.322 1.00 0.00 C ATOM 116 CD GLU A 11 11.028 4.299 2.164 1.00 0.00 C ATOM 117 OE1 GLU A 11 9.873 4.303 1.688 1.00 0.00 O ATOM 118 OE2 GLU A 11 11.621 3.258 2.515 1.00 0.00 O ATOM 0 H GLU A 11 14.037 6.666 1.715 1.00 0.00 H new ATOM 0 HA GLU A 11 12.325 8.364 0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.614 6.661 0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.097 5.943 0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.792 5.442 2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.315 6.169 3.163 1.00 0.00 H new ATOM 125 N ARG A 12 11.045 9.772 1.827 1.00 0.00 N ATOM 126 CA ARG A 12 10.339 10.669 2.733 1.00 0.00 C ATOM 127 C ARG A 12 8.868 10.787 2.346 1.00 0.00 C ATOM 128 O ARG A 12 8.280 11.864 2.424 1.00 0.00 O ATOM 129 CB ARG A 12 10.992 12.053 2.726 1.00 0.00 C ATOM 130 CG ARG A 12 11.137 12.650 1.336 1.00 0.00 C ATOM 131 CD ARG A 12 9.914 13.468 0.951 1.00 0.00 C ATOM 132 NE ARG A 12 10.231 14.492 -0.042 1.00 0.00 N ATOM 133 CZ ARG A 12 9.314 15.242 -0.642 1.00 0.00 C ATOM 134 NH1 ARG A 12 8.030 15.085 -0.351 1.00 0.00 N ATOM 135 NH2 ARG A 12 9.681 16.153 -1.534 1.00 0.00 N ATOM 0 H ARG A 12 11.013 10.052 0.847 1.00 0.00 H new ATOM 0 HA ARG A 12 10.400 10.251 3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.399 12.729 3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.977 11.983 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.025 13.282 1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.285 11.851 0.609 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.144 12.805 0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.500 13.942 1.841 1.00 0.00 H new ATOM 0 HE ARG A 12 11.210 14.639 -0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.744 14.387 0.335 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.328 15.663 -0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.668 16.278 -1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.976 16.729 -1.995 1.00 0.00 H new ATOM 149 N ASN A 13 8.280 9.670 1.928 1.00 0.00 N ATOM 150 CA ASN A 13 6.878 9.648 1.527 1.00 0.00 C ATOM 151 C ASN A 13 6.132 8.511 2.219 1.00 0.00 C ATOM 152 O ASN A 13 5.839 7.485 1.606 1.00 0.00 O ATOM 153 CB ASN A 13 6.762 9.499 0.009 1.00 0.00 C ATOM 154 CG ASN A 13 7.104 10.782 -0.725 1.00 0.00 C ATOM 155 OD1 ASN A 13 7.229 11.844 -0.117 1.00 0.00 O ATOM 156 ND2 ASN A 13 7.256 10.687 -2.041 1.00 0.00 N ATOM 0 H ASN A 13 8.753 8.769 1.858 1.00 0.00 H new ATOM 0 HA ASN A 13 6.425 10.593 1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.426 8.703 -0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.747 9.196 -0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.486 11.516 -2.589 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.143 9.785 -2.504 1.00 0.00 H new ATOM 163 N GLN A 14 5.829 8.703 3.499 1.00 0.00 N ATOM 164 CA GLN A 14 5.117 7.693 4.274 1.00 0.00 C ATOM 165 C GLN A 14 3.737 7.426 3.683 1.00 0.00 C ATOM 166 O GLN A 14 3.306 6.277 3.582 1.00 0.00 O ATOM 167 CB GLN A 14 4.983 8.139 5.731 1.00 0.00 C ATOM 168 CG GLN A 14 6.307 8.189 6.476 1.00 0.00 C ATOM 169 CD GLN A 14 6.264 9.108 7.681 1.00 0.00 C ATOM 170 OE1 GLN A 14 6.615 10.285 7.591 1.00 0.00 O ATOM 171 NE2 GLN A 14 5.833 8.574 8.818 1.00 0.00 N ATOM 0 H GLN A 14 6.065 9.547 4.021 1.00 0.00 H new ATOM 0 HA GLN A 14 5.693 6.769 4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.522 9.126 5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.309 7.458 6.250 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.575 7.183 6.800 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.090 8.524 5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.552 7.594 8.847 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.783 9.144 9.662 1.00 0.00 H new ATOM 180 N ASP A 15 3.049 8.493 3.293 1.00 0.00 N ATOM 181 CA ASP A 15 1.717 8.374 2.711 1.00 0.00 C ATOM 182 C ASP A 15 1.669 7.239 1.692 1.00 0.00 C ATOM 183 O ASP A 15 0.737 6.436 1.687 1.00 0.00 O ATOM 184 CB ASP A 15 1.308 9.690 2.046 1.00 0.00 C ATOM 185 CG ASP A 15 2.211 10.058 0.886 1.00 0.00 C ATOM 186 OD1 ASP A 15 3.408 10.322 1.126 1.00 0.00 O ATOM 187 OD2 ASP A 15 1.722 10.081 -0.262 1.00 0.00 O ATOM 0 H ASP A 15 3.392 9.451 3.369 1.00 0.00 H new ATOM 0 HA ASP A 15 1.015 8.148 3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.280 9.610 1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.329 10.490 2.786 1.00 0.00 H new ATOM 192 N ALA A 16 2.680 7.180 0.831 1.00 0.00 N ATOM 193 CA ALA A 16 2.753 6.144 -0.191 1.00 0.00 C ATOM 194 C ALA A 16 3.544 4.938 0.306 1.00 0.00 C ATOM 195 O ALA A 16 4.284 4.312 -0.454 1.00 0.00 O ATOM 196 CB ALA A 16 3.377 6.700 -1.462 1.00 0.00 C ATOM 0 H ALA A 16 3.460 7.838 0.821 1.00 0.00 H new ATOM 0 HA ALA A 16 1.738 5.814 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.425 5.915 -2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.770 7.525 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.384 7.059 -1.246 1.00 0.00 H new ATOM 202 N THR A 17 3.384 4.617 1.586 1.00 0.00 N ATOM 203 CA THR A 17 4.084 3.488 2.184 1.00 0.00 C ATOM 204 C THR A 17 3.157 2.683 3.088 1.00 0.00 C ATOM 205 O THR A 17 2.291 3.241 3.761 1.00 0.00 O ATOM 206 CB THR A 17 5.304 3.952 3.002 1.00 0.00 C ATOM 207 OG1 THR A 17 6.076 4.888 2.241 1.00 0.00 O ATOM 208 CG2 THR A 17 6.174 2.769 3.395 1.00 0.00 C ATOM 0 H THR A 17 2.775 5.124 2.229 1.00 0.00 H new ATOM 0 HA THR A 17 4.425 2.857 1.363 1.00 0.00 H new ATOM 0 HB THR A 17 4.943 4.433 3.911 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.630 5.760 2.246 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.029 3.122 3.972 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.591 2.073 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.527 2.262 2.497 1.00 0.00 H new ATOM 216 N VAL A 18 3.346 1.367 3.099 1.00 0.00 N ATOM 217 CA VAL A 18 2.527 0.484 3.922 1.00 0.00 C ATOM 218 C VAL A 18 3.318 -0.045 5.114 1.00 0.00 C ATOM 219 O VAL A 18 4.536 -0.207 5.042 1.00 0.00 O ATOM 220 CB VAL A 18 1.991 -0.707 3.106 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.317 -0.221 1.832 1.00 0.00 C ATOM 222 CG2 VAL A 18 3.114 -1.682 2.787 1.00 0.00 C ATOM 0 H VAL A 18 4.059 0.889 2.548 1.00 0.00 H new ATOM 0 HA VAL A 18 1.685 1.076 4.281 1.00 0.00 H new ATOM 0 HB VAL A 18 1.246 -1.230 3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.945 -1.076 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.485 0.435 2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.038 0.327 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.718 -2.517 2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.884 -1.173 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.547 -2.055 3.715 1.00 0.00 H new ATOM 232 N TYR A 19 2.616 -0.312 6.210 1.00 0.00 N ATOM 233 CA TYR A 19 3.252 -0.822 7.419 1.00 0.00 C ATOM 234 C TYR A 19 3.018 -2.322 7.567 1.00 0.00 C ATOM 235 O TYR A 19 1.938 -2.758 7.966 1.00 0.00 O ATOM 236 CB TYR A 19 2.717 -0.087 8.650 1.00 0.00 C ATOM 237 CG TYR A 19 3.538 -0.321 9.898 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.705 -1.601 10.413 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.145 0.737 10.563 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.453 -1.819 11.554 1.00 0.00 C ATOM 241 CE2 TYR A 19 4.895 0.528 11.703 1.00 0.00 C ATOM 242 CZ TYR A 19 5.046 -0.752 12.195 1.00 0.00 C ATOM 243 OH TYR A 19 5.792 -0.964 13.332 1.00 0.00 O ATOM 0 H TYR A 19 1.607 -0.184 6.286 1.00 0.00 H new ATOM 0 HA TYR A 19 4.325 -0.647 7.336 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.687 0.982 8.440 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.691 -0.405 8.835 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.242 -2.439 9.913 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.028 1.741 10.181 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.573 -2.820 11.942 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.361 1.362 12.207 1.00 0.00 H new ATOM 0 HH TYR A 19 6.141 -0.108 13.659 1.00 0.00 H new ATOM 253 N VAL A 20 4.040 -3.108 7.243 1.00 0.00 N ATOM 254 CA VAL A 20 3.948 -4.560 7.341 1.00 0.00 C ATOM 255 C VAL A 20 4.589 -5.066 8.629 1.00 0.00 C ATOM 256 O VAL A 20 5.766 -4.820 8.887 1.00 0.00 O ATOM 257 CB VAL A 20 4.624 -5.248 6.140 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.494 -6.759 6.247 1.00 0.00 C ATOM 259 CG2 VAL A 20 4.029 -4.744 4.834 1.00 0.00 C ATOM 0 H VAL A 20 4.941 -2.764 6.911 1.00 0.00 H new ATOM 0 HA VAL A 20 2.887 -4.810 7.344 1.00 0.00 H new ATOM 0 HB VAL A 20 5.685 -4.998 6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.978 -7.227 5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.972 -7.101 7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.439 -7.033 6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.518 -5.240 3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.961 -4.962 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.181 -3.667 4.757 1.00 0.00 H new ATOM 269 N GLY A 21 3.805 -5.775 9.435 1.00 0.00 N ATOM 270 CA GLY A 21 4.313 -6.305 10.687 1.00 0.00 C ATOM 271 C GLY A 21 3.760 -7.681 11.001 1.00 0.00 C ATOM 272 O GLY A 21 2.564 -7.836 11.246 1.00 0.00 O ATOM 0 H GLY A 21 2.827 -5.992 9.243 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.401 -6.356 10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.059 -5.621 11.497 1.00 0.00 H new ATOM 276 N GLY A 22 4.633 -8.684 10.993 1.00 0.00 N ATOM 277 CA GLY A 22 4.205 -10.041 11.279 1.00 0.00 C ATOM 278 C GLY A 22 4.397 -10.971 10.097 1.00 0.00 C ATOM 279 O GLY A 22 3.491 -11.724 9.736 1.00 0.00 O ATOM 0 H GLY A 22 5.628 -8.581 10.794 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.765 -10.423 12.133 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.153 -10.034 11.565 1.00 0.00 H new ATOM 283 N LEU A 23 5.577 -10.918 9.490 1.00 0.00 N ATOM 284 CA LEU A 23 5.885 -11.761 8.339 1.00 0.00 C ATOM 285 C LEU A 23 6.527 -13.072 8.781 1.00 0.00 C ATOM 286 O LEU A 23 7.143 -13.145 9.844 1.00 0.00 O ATOM 287 CB LEU A 23 6.816 -11.023 7.376 1.00 0.00 C ATOM 288 CG LEU A 23 6.320 -9.668 6.869 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.461 -8.883 6.240 1.00 0.00 C ATOM 290 CD2 LEU A 23 5.185 -9.854 5.872 1.00 0.00 C ATOM 0 H LEU A 23 6.337 -10.300 9.775 1.00 0.00 H new ATOM 0 HA LEU A 23 4.950 -11.990 7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.775 -10.874 7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.999 -11.666 6.515 1.00 0.00 H new ATOM 0 HG LEU A 23 5.941 -9.101 7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.089 -7.922 5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.242 -8.718 6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.871 -9.446 5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.845 -8.879 5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.538 -10.441 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.358 -10.375 6.355 1.00 0.00 H new ATOM 302 N ASP A 24 6.381 -14.103 7.957 1.00 0.00 N ATOM 303 CA ASP A 24 6.949 -15.411 8.261 1.00 0.00 C ATOM 304 C ASP A 24 8.415 -15.477 7.841 1.00 0.00 C ATOM 305 O ASP A 24 8.900 -14.614 7.112 1.00 0.00 O ATOM 306 CB ASP A 24 6.154 -16.513 7.557 1.00 0.00 C ATOM 307 CG ASP A 24 6.583 -17.901 7.988 1.00 0.00 C ATOM 308 OD1 ASP A 24 6.416 -18.231 9.181 1.00 0.00 O ATOM 309 OD2 ASP A 24 7.086 -18.659 7.132 1.00 0.00 O ATOM 0 H ASP A 24 5.874 -14.059 7.073 1.00 0.00 H new ATOM 0 HA ASP A 24 6.890 -15.564 9.339 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.093 -16.382 7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.280 -16.415 6.479 1.00 0.00 H new ATOM 314 N GLU A 25 9.113 -16.508 8.309 1.00 0.00 N ATOM 315 CA GLU A 25 10.523 -16.684 7.983 1.00 0.00 C ATOM 316 C GLU A 25 10.723 -16.801 6.475 1.00 0.00 C ATOM 317 O GLU A 25 11.757 -16.398 5.941 1.00 0.00 O ATOM 318 CB GLU A 25 11.078 -17.929 8.680 1.00 0.00 C ATOM 319 CG GLU A 25 10.455 -19.227 8.195 1.00 0.00 C ATOM 320 CD GLU A 25 9.170 -19.565 8.925 1.00 0.00 C ATOM 321 OE1 GLU A 25 8.966 -19.041 10.040 1.00 0.00 O ATOM 322 OE2 GLU A 25 8.368 -20.353 8.381 1.00 0.00 O ATOM 0 H GLU A 25 8.725 -17.232 8.914 1.00 0.00 H new ATOM 0 HA GLU A 25 11.064 -15.806 8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.156 -17.973 8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.915 -17.837 9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.253 -19.152 7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.169 -20.040 8.328 1.00 0.00 H new ATOM 329 N LYS A 26 9.726 -17.355 5.793 1.00 0.00 N ATOM 330 CA LYS A 26 9.790 -17.525 4.346 1.00 0.00 C ATOM 331 C LYS A 26 9.741 -16.175 3.637 1.00 0.00 C ATOM 332 O LYS A 26 10.493 -15.931 2.693 1.00 0.00 O ATOM 333 CB LYS A 26 8.636 -18.407 3.865 1.00 0.00 C ATOM 334 CG LYS A 26 8.972 -19.888 3.841 1.00 0.00 C ATOM 335 CD LYS A 26 7.719 -20.743 3.745 1.00 0.00 C ATOM 336 CE LYS A 26 7.285 -20.936 2.300 1.00 0.00 C ATOM 337 NZ LYS A 26 6.497 -22.187 2.121 1.00 0.00 N ATOM 0 H LYS A 26 8.864 -17.694 6.219 1.00 0.00 H new ATOM 0 HA LYS A 26 10.736 -18.009 4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.774 -18.249 4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.343 -18.093 2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.624 -20.100 2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.525 -20.151 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.904 -21.715 4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.913 -20.273 4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.687 -20.081 1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.165 -20.966 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.220 -22.283 1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.076 -23.005 2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.644 -22.148 2.715 1.00 0.00 H new ATOM 351 N VAL A 27 8.854 -15.300 4.100 1.00 0.00 N ATOM 352 CA VAL A 27 8.710 -13.974 3.512 1.00 0.00 C ATOM 353 C VAL A 27 10.069 -13.379 3.158 1.00 0.00 C ATOM 354 O VAL A 27 11.064 -13.631 3.837 1.00 0.00 O ATOM 355 CB VAL A 27 7.974 -13.014 4.465 1.00 0.00 C ATOM 356 CG1 VAL A 27 8.004 -11.593 3.921 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.542 -13.478 4.687 1.00 0.00 C ATOM 0 H VAL A 27 8.224 -15.486 4.881 1.00 0.00 H new ATOM 0 HA VAL A 27 8.121 -14.093 2.603 1.00 0.00 H new ATOM 0 HB VAL A 27 8.487 -13.020 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.479 -10.929 4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.038 -11.265 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.516 -11.566 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.037 -12.788 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.015 -13.502 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.547 -14.476 5.124 1.00 0.00 H new ATOM 367 N SER A 28 10.102 -12.588 2.090 1.00 0.00 N ATOM 368 CA SER A 28 11.340 -11.959 1.644 1.00 0.00 C ATOM 369 C SER A 28 11.066 -10.577 1.058 1.00 0.00 C ATOM 370 O SER A 28 9.914 -10.172 0.910 1.00 0.00 O ATOM 371 CB SER A 28 12.037 -12.838 0.604 1.00 0.00 C ATOM 372 OG SER A 28 12.257 -14.144 1.106 1.00 0.00 O ATOM 0 H SER A 28 9.287 -12.368 1.518 1.00 0.00 H new ATOM 0 HA SER A 28 11.993 -11.845 2.509 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.429 -12.890 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.989 -12.388 0.322 1.00 0.00 H new ATOM 0 HG SER A 28 12.702 -14.687 0.422 1.00 0.00 H new ATOM 378 N GLU A 29 12.135 -9.860 0.726 1.00 0.00 N ATOM 379 CA GLU A 29 12.010 -8.523 0.156 1.00 0.00 C ATOM 380 C GLU A 29 11.376 -8.580 -1.231 1.00 0.00 C ATOM 381 O GLU A 29 10.375 -7.919 -1.511 1.00 0.00 O ATOM 382 CB GLU A 29 13.381 -7.849 0.075 1.00 0.00 C ATOM 383 CG GLU A 29 13.716 -7.003 1.292 1.00 0.00 C ATOM 384 CD GLU A 29 15.202 -6.975 1.592 1.00 0.00 C ATOM 385 OE1 GLU A 29 15.797 -8.062 1.751 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.771 -5.866 1.667 1.00 0.00 O ATOM 0 H GLU A 29 13.096 -10.182 0.842 1.00 0.00 H new ATOM 0 HA GLU A 29 11.363 -7.937 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.147 -8.615 -0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.415 -7.220 -0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.363 -5.985 1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.181 -7.392 2.159 1.00 0.00 H new ATOM 393 N PRO A 30 11.972 -9.387 -2.121 1.00 0.00 N ATOM 394 CA PRO A 30 11.484 -9.550 -3.494 1.00 0.00 C ATOM 395 C PRO A 30 10.159 -10.302 -3.552 1.00 0.00 C ATOM 396 O PRO A 30 9.641 -10.584 -4.633 1.00 0.00 O ATOM 397 CB PRO A 30 12.591 -10.363 -4.170 1.00 0.00 C ATOM 398 CG PRO A 30 13.250 -11.103 -3.058 1.00 0.00 C ATOM 399 CD PRO A 30 13.169 -10.203 -1.856 1.00 0.00 C ATOM 0 HA PRO A 30 11.288 -8.591 -3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.182 -11.047 -4.913 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.298 -9.715 -4.688 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.748 -12.052 -2.869 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.287 -11.334 -3.303 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.070 -10.774 -0.933 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.062 -9.586 -1.755 1.00 0.00 H new ATOM 407 N LEU A 31 9.614 -10.623 -2.384 1.00 0.00 N ATOM 408 CA LEU A 31 8.348 -11.342 -2.302 1.00 0.00 C ATOM 409 C LEU A 31 7.177 -10.372 -2.185 1.00 0.00 C ATOM 410 O LEU A 31 6.213 -10.450 -2.949 1.00 0.00 O ATOM 411 CB LEU A 31 8.356 -12.295 -1.105 1.00 0.00 C ATOM 412 CG LEU A 31 7.078 -13.105 -0.883 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.883 -14.113 -2.005 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.120 -13.808 0.466 1.00 0.00 C ATOM 0 H LEU A 31 10.029 -10.397 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 31 8.228 -11.920 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.187 -12.990 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.555 -11.714 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 31 6.231 -12.419 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.969 -14.680 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.807 -13.588 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.733 -14.795 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.203 -14.380 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.976 -14.482 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.211 -13.067 1.260 1.00 0.00 H new ATOM 426 N LEU A 32 7.267 -9.456 -1.227 1.00 0.00 N ATOM 427 CA LEU A 32 6.216 -8.468 -1.012 1.00 0.00 C ATOM 428 C LEU A 32 5.966 -7.654 -2.277 1.00 0.00 C ATOM 429 O LEU A 32 4.823 -7.482 -2.701 1.00 0.00 O ATOM 430 CB LEU A 32 6.593 -7.536 0.142 1.00 0.00 C ATOM 431 CG LEU A 32 7.177 -8.209 1.384 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.570 -7.167 2.421 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.182 -9.200 1.972 1.00 0.00 C ATOM 0 H LEU A 32 8.057 -9.377 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 32 5.299 -8.999 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.316 -6.808 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.704 -6.980 0.439 1.00 0.00 H new ATOM 0 HG LEU A 32 8.073 -8.756 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.984 -7.665 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.318 -6.496 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.690 -6.592 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.615 -9.669 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.268 -8.676 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.950 -9.965 1.231 1.00 0.00 H new ATOM 445 N TRP A 33 7.042 -7.158 -2.877 1.00 0.00 N ATOM 446 CA TRP A 33 6.940 -6.364 -4.096 1.00 0.00 C ATOM 447 C TRP A 33 5.828 -6.890 -4.997 1.00 0.00 C ATOM 448 O TRP A 33 4.804 -6.233 -5.181 1.00 0.00 O ATOM 449 CB TRP A 33 8.271 -6.374 -4.849 1.00 0.00 C ATOM 450 CG TRP A 33 8.421 -5.230 -5.806 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.472 -4.746 -6.660 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.590 -4.428 -6.006 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.981 -3.691 -7.379 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.278 -3.476 -6.996 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.870 -4.421 -5.444 1.00 0.00 C ATOM 456 CZ2 TRP A 33 10.200 -2.529 -7.435 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.784 -3.481 -5.881 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.445 -2.545 -6.867 1.00 0.00 C ATOM 0 H TRP A 33 7.995 -7.292 -2.539 1.00 0.00 H new ATOM 0 HA TRP A 33 6.699 -5.339 -3.813 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.088 -6.345 -4.128 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.363 -7.312 -5.397 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.469 -5.135 -6.756 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.475 -3.155 -8.084 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.140 -5.137 -4.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.942 -1.808 -8.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.776 -3.468 -5.455 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.181 -1.822 -7.185 1.00 0.00 H new ATOM 469 N GLU A 34 6.036 -8.079 -5.554 1.00 0.00 N ATOM 470 CA GLU A 34 5.050 -8.692 -6.436 1.00 0.00 C ATOM 471 C GLU A 34 3.767 -9.016 -5.676 1.00 0.00 C ATOM 472 O GLU A 34 2.674 -8.623 -6.085 1.00 0.00 O ATOM 473 CB GLU A 34 5.618 -9.965 -7.066 1.00 0.00 C ATOM 474 CG GLU A 34 4.607 -10.736 -7.899 1.00 0.00 C ATOM 475 CD GLU A 34 5.086 -12.129 -8.256 1.00 0.00 C ATOM 476 OE1 GLU A 34 6.305 -12.303 -8.465 1.00 0.00 O ATOM 477 OE2 GLU A 34 4.241 -13.047 -8.325 1.00 0.00 O ATOM 0 H GLU A 34 6.878 -8.637 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 34 4.814 -7.979 -7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.468 -9.701 -7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.995 -10.614 -6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.669 -10.808 -7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.398 -10.182 -8.814 1.00 0.00 H new ATOM 484 N LEU A 35 3.909 -9.735 -4.568 1.00 0.00 N ATOM 485 CA LEU A 35 2.762 -10.113 -3.750 1.00 0.00 C ATOM 486 C LEU A 35 1.854 -8.914 -3.498 1.00 0.00 C ATOM 487 O LEU A 35 0.661 -9.069 -3.232 1.00 0.00 O ATOM 488 CB LEU A 35 3.232 -10.700 -2.418 1.00 0.00 C ATOM 489 CG LEU A 35 2.176 -10.794 -1.316 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.193 -11.915 -1.613 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.837 -11.006 0.039 1.00 0.00 C ATOM 0 H LEU A 35 4.806 -10.068 -4.216 1.00 0.00 H new ATOM 0 HA LEU A 35 2.193 -10.868 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.625 -11.700 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.060 -10.095 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 35 1.625 -9.854 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.449 -11.967 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.696 -11.721 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.728 -12.863 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.071 -11.071 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.414 -11.931 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.500 -10.169 0.255 1.00 0.00 H new ATOM 503 N PHE A 36 2.425 -7.717 -3.585 1.00 0.00 N ATOM 504 CA PHE A 36 1.667 -6.490 -3.368 1.00 0.00 C ATOM 505 C PHE A 36 1.163 -5.920 -4.691 1.00 0.00 C ATOM 506 O PHE A 36 0.110 -5.285 -4.746 1.00 0.00 O ATOM 507 CB PHE A 36 2.530 -5.453 -2.648 1.00 0.00 C ATOM 508 CG PHE A 36 2.412 -5.509 -1.151 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.812 -6.637 -0.454 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.903 -4.433 -0.442 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.704 -6.692 0.923 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.793 -4.482 0.935 1.00 0.00 C ATOM 513 CZ PHE A 36 2.195 -5.612 1.618 1.00 0.00 C ATOM 0 H PHE A 36 3.410 -7.571 -3.804 1.00 0.00 H new ATOM 0 HA PHE A 36 0.805 -6.730 -2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.573 -5.603 -2.928 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.248 -4.457 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.213 -7.483 -0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.589 -3.546 -0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.017 -7.578 1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.393 -3.637 1.476 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.112 -5.652 2.694 1.00 0.00 H new ATOM 523 N LEU A 37 1.924 -6.151 -5.755 1.00 0.00 N ATOM 524 CA LEU A 37 1.557 -5.661 -7.079 1.00 0.00 C ATOM 525 C LEU A 37 0.058 -5.809 -7.318 1.00 0.00 C ATOM 526 O LEU A 37 -0.522 -5.094 -8.134 1.00 0.00 O ATOM 527 CB LEU A 37 2.334 -6.417 -8.158 1.00 0.00 C ATOM 528 CG LEU A 37 3.775 -5.962 -8.391 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.445 -6.829 -9.446 1.00 0.00 C ATOM 530 CD2 LEU A 37 3.812 -4.496 -8.801 1.00 0.00 C ATOM 0 H LEU A 37 2.799 -6.675 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 37 1.812 -4.602 -7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.346 -7.475 -7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.790 -6.329 -9.098 1.00 0.00 H new ATOM 0 HG LEU A 37 4.326 -6.072 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.470 -6.490 -9.598 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.452 -7.867 -9.113 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.894 -6.752 -10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.845 -4.189 -8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.245 -4.361 -9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.372 -3.886 -8.012 1.00 0.00 H new ATOM 542 N GLN A 38 -0.562 -6.739 -6.599 1.00 0.00 N ATOM 543 CA GLN A 38 -1.994 -6.978 -6.732 1.00 0.00 C ATOM 544 C GLN A 38 -2.785 -5.696 -6.492 1.00 0.00 C ATOM 545 O GLN A 38 -3.710 -5.377 -7.239 1.00 0.00 O ATOM 546 CB GLN A 38 -2.445 -8.061 -5.751 1.00 0.00 C ATOM 547 CG GLN A 38 -1.531 -9.276 -5.723 1.00 0.00 C ATOM 548 CD GLN A 38 -2.272 -10.556 -5.390 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.428 -10.735 -5.774 1.00 0.00 O ATOM 550 NE2 GLN A 38 -1.608 -11.455 -4.673 1.00 0.00 N ATOM 0 H GLN A 38 -0.095 -7.339 -5.919 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.187 -7.317 -7.750 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.498 -7.633 -4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.453 -8.381 -6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.046 -9.383 -6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.742 -9.116 -4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.651 -11.265 -4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.055 -12.336 -4.419 1.00 0.00 H new ATOM 559 N ALA A 39 -2.415 -4.966 -5.446 1.00 0.00 N ATOM 560 CA ALA A 39 -3.089 -3.718 -5.109 1.00 0.00 C ATOM 561 C ALA A 39 -2.683 -2.600 -6.063 1.00 0.00 C ATOM 562 O ALA A 39 -3.531 -1.976 -6.699 1.00 0.00 O ATOM 563 CB ALA A 39 -2.783 -3.325 -3.671 1.00 0.00 C ATOM 0 H ALA A 39 -1.652 -5.217 -4.817 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.163 -3.874 -5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.293 -2.391 -3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.129 -4.109 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.708 -3.192 -3.551 1.00 0.00 H new ATOM 569 N GLY A 40 -1.380 -2.351 -6.156 1.00 0.00 N ATOM 570 CA GLY A 40 -0.885 -1.307 -7.034 1.00 0.00 C ATOM 571 C GLY A 40 0.540 -1.557 -7.486 1.00 0.00 C ATOM 572 O GLY A 40 1.182 -2.526 -7.080 1.00 0.00 O ATOM 0 H GLY A 40 -0.659 -2.854 -5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.533 -1.234 -7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.936 -0.348 -6.518 1.00 0.00 H new ATOM 576 N PRO A 41 1.055 -0.669 -8.349 1.00 0.00 N ATOM 577 CA PRO A 41 2.419 -0.777 -8.877 1.00 0.00 C ATOM 578 C PRO A 41 3.476 -0.504 -7.812 1.00 0.00 C ATOM 579 O PRO A 41 3.927 0.629 -7.647 1.00 0.00 O ATOM 580 CB PRO A 41 2.465 0.299 -9.964 1.00 0.00 C ATOM 581 CG PRO A 41 1.435 1.295 -9.556 1.00 0.00 C ATOM 582 CD PRO A 41 0.347 0.510 -8.876 1.00 0.00 C ATOM 0 HA PRO A 41 2.636 -1.781 -9.242 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.453 0.755 -10.028 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.243 -0.120 -10.945 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.858 2.040 -8.882 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.046 1.832 -10.422 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.125 1.085 -8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.441 0.227 -9.574 1.00 0.00 H new ATOM 590 N VAL A 42 3.868 -1.550 -7.092 1.00 0.00 N ATOM 591 CA VAL A 42 4.873 -1.423 -6.044 1.00 0.00 C ATOM 592 C VAL A 42 6.154 -0.798 -6.584 1.00 0.00 C ATOM 593 O VAL A 42 6.658 -1.197 -7.635 1.00 0.00 O ATOM 594 CB VAL A 42 5.207 -2.791 -5.418 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.296 -2.645 -4.366 1.00 0.00 C ATOM 596 CG2 VAL A 42 3.958 -3.422 -4.821 1.00 0.00 C ATOM 0 H VAL A 42 3.505 -2.495 -7.215 1.00 0.00 H new ATOM 0 HA VAL A 42 4.450 -0.774 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 42 5.580 -3.450 -6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.519 -3.621 -3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.196 -2.238 -4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.955 -1.971 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.212 -4.387 -4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.554 -2.768 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.212 -3.563 -5.603 1.00 0.00 H new ATOM 606 N VAL A 43 6.678 0.185 -5.859 1.00 0.00 N ATOM 607 CA VAL A 43 7.902 0.865 -6.264 1.00 0.00 C ATOM 608 C VAL A 43 9.134 0.155 -5.714 1.00 0.00 C ATOM 609 O VAL A 43 10.052 -0.185 -6.459 1.00 0.00 O ATOM 610 CB VAL A 43 7.913 2.331 -5.790 1.00 0.00 C ATOM 611 CG1 VAL A 43 8.974 3.126 -6.537 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.540 2.959 -5.971 1.00 0.00 C ATOM 0 H VAL A 43 6.274 0.528 -4.988 1.00 0.00 H new ATOM 0 HA VAL A 43 7.930 0.843 -7.353 1.00 0.00 H new ATOM 0 HB VAL A 43 8.159 2.350 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.967 4.159 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.955 2.687 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.761 3.102 -7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.566 3.994 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.263 2.930 -7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.806 2.404 -5.387 1.00 0.00 H new ATOM 622 N ASN A 44 9.146 -0.065 -4.403 1.00 0.00 N ATOM 623 CA ASN A 44 10.266 -0.735 -3.751 1.00 0.00 C ATOM 624 C ASN A 44 9.837 -1.339 -2.417 1.00 0.00 C ATOM 625 O ASN A 44 8.857 -0.903 -1.812 1.00 0.00 O ATOM 626 CB ASN A 44 11.418 0.247 -3.532 1.00 0.00 C ATOM 627 CG ASN A 44 12.384 -0.224 -2.463 1.00 0.00 C ATOM 628 OD1 ASN A 44 13.291 -1.012 -2.733 1.00 0.00 O ATOM 629 ND2 ASN A 44 12.194 0.258 -1.240 1.00 0.00 N ATOM 0 H ASN A 44 8.394 0.211 -3.772 1.00 0.00 H new ATOM 0 HA ASN A 44 10.604 -1.541 -4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 44 11.957 0.385 -4.469 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.014 1.219 -3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.813 -0.023 -0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.429 0.909 -1.062 1.00 0.00 H new ATOM 636 N THR A 45 10.578 -2.345 -1.964 1.00 0.00 N ATOM 637 CA THR A 45 10.274 -3.010 -0.703 1.00 0.00 C ATOM 638 C THR A 45 11.355 -2.735 0.337 1.00 0.00 C ATOM 639 O THR A 45 12.548 -2.789 0.037 1.00 0.00 O ATOM 640 CB THR A 45 10.133 -4.532 -0.889 1.00 0.00 C ATOM 641 OG1 THR A 45 11.318 -5.063 -1.494 1.00 0.00 O ATOM 642 CG2 THR A 45 8.925 -4.862 -1.753 1.00 0.00 C ATOM 0 H THR A 45 11.393 -2.717 -2.451 1.00 0.00 H new ATOM 0 HA THR A 45 9.324 -2.605 -0.353 1.00 0.00 H new ATOM 0 HB THR A 45 9.992 -4.985 0.093 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.189 -6.015 -1.686 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.846 -5.943 -1.870 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.022 -4.482 -1.276 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.041 -4.398 -2.733 1.00 0.00 H new ATOM 650 N HIS A 46 10.929 -2.440 1.562 1.00 0.00 N ATOM 651 CA HIS A 46 11.862 -2.158 2.648 1.00 0.00 C ATOM 652 C HIS A 46 11.672 -3.144 3.797 1.00 0.00 C ATOM 653 O HIS A 46 10.569 -3.297 4.320 1.00 0.00 O ATOM 654 CB HIS A 46 11.672 -0.727 3.152 1.00 0.00 C ATOM 655 CG HIS A 46 12.708 -0.300 4.145 1.00 0.00 C ATOM 656 ND1 HIS A 46 12.938 -0.970 5.328 1.00 0.00 N ATOM 657 CD2 HIS A 46 13.580 0.736 4.126 1.00 0.00 C ATOM 658 CE1 HIS A 46 13.904 -0.364 5.995 1.00 0.00 C ATOM 659 NE2 HIS A 46 14.312 0.674 5.286 1.00 0.00 N ATOM 0 H HIS A 46 9.945 -2.390 1.827 1.00 0.00 H new ATOM 0 HA HIS A 46 12.875 -2.268 2.262 1.00 0.00 H new ATOM 0 HB2 HIS A 46 11.693 -0.045 2.302 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.686 -0.639 3.607 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.681 1.474 3.344 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.294 -0.665 6.956 1.00 0.00 H new ATOM 0 HE2 HIS A 46 15.051 1.323 5.557 1.00 0.00 H new ATOM 667 N MET A 47 12.756 -3.809 4.183 1.00 0.00 N ATOM 668 CA MET A 47 12.708 -4.780 5.271 1.00 0.00 C ATOM 669 C MET A 47 13.961 -4.689 6.136 1.00 0.00 C ATOM 670 O MET A 47 15.054 -5.085 5.731 1.00 0.00 O ATOM 671 CB MET A 47 12.562 -6.197 4.712 1.00 0.00 C ATOM 672 CG MET A 47 11.122 -6.594 4.431 1.00 0.00 C ATOM 673 SD MET A 47 10.979 -8.261 3.760 1.00 0.00 S ATOM 674 CE MET A 47 11.078 -9.238 5.258 1.00 0.00 C ATOM 0 H MET A 47 13.677 -3.694 3.760 1.00 0.00 H new ATOM 0 HA MET A 47 11.842 -4.551 5.892 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.139 -6.276 3.790 1.00 0.00 H new ATOM 0 HB3 MET A 47 12.994 -6.904 5.420 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.544 -6.527 5.353 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.684 -5.885 3.728 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.869 -9.981 5.156 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.298 -8.586 6.104 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.127 -9.743 5.427 1.00 0.00 H new ATOM 684 N PRO A 48 13.801 -4.155 7.356 1.00 0.00 N ATOM 685 CA PRO A 48 14.909 -4.000 8.304 1.00 0.00 C ATOM 686 C PRO A 48 15.399 -5.338 8.846 1.00 0.00 C ATOM 687 O PRO A 48 14.615 -6.137 9.357 1.00 0.00 O ATOM 688 CB PRO A 48 14.299 -3.158 9.427 1.00 0.00 C ATOM 689 CG PRO A 48 12.837 -3.436 9.358 1.00 0.00 C ATOM 690 CD PRO A 48 12.526 -3.662 7.904 1.00 0.00 C ATOM 0 HA PRO A 48 15.784 -3.545 7.839 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.709 -3.436 10.398 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.507 -2.098 9.285 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.578 -4.312 9.953 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.262 -2.599 9.755 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.724 -4.389 7.773 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.206 -2.743 7.414 1.00 0.00 H new ATOM 698 N LYS A 49 16.701 -5.575 8.732 1.00 0.00 N ATOM 699 CA LYS A 49 17.298 -6.816 9.213 1.00 0.00 C ATOM 700 C LYS A 49 18.130 -6.569 10.467 1.00 0.00 C ATOM 701 O LYS A 49 18.750 -5.516 10.615 1.00 0.00 O ATOM 702 CB LYS A 49 18.171 -7.442 8.123 1.00 0.00 C ATOM 703 CG LYS A 49 17.407 -7.792 6.858 1.00 0.00 C ATOM 704 CD LYS A 49 17.991 -9.017 6.174 1.00 0.00 C ATOM 705 CE LYS A 49 17.820 -8.947 4.665 1.00 0.00 C ATOM 706 NZ LYS A 49 18.765 -9.855 3.957 1.00 0.00 N ATOM 0 H LYS A 49 17.364 -4.924 8.311 1.00 0.00 H new ATOM 0 HA LYS A 49 16.491 -7.505 9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 49 18.975 -6.751 7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.638 -8.345 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.361 -7.975 7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.430 -6.945 6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.050 -9.101 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.504 -9.915 6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.796 -9.213 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.980 -7.923 4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.617 -9.778 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.743 -9.586 4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.596 -10.836 4.259 1.00 0.00 H new ATOM 720 N ASP A 50 18.141 -7.547 11.366 1.00 0.00 N ATOM 721 CA ASP A 50 18.901 -7.437 12.606 1.00 0.00 C ATOM 722 C ASP A 50 20.363 -7.108 12.321 1.00 0.00 C ATOM 723 O ASP A 50 20.794 -7.101 11.168 1.00 0.00 O ATOM 724 CB ASP A 50 18.803 -8.737 13.406 1.00 0.00 C ATOM 725 CG ASP A 50 18.839 -8.500 14.903 1.00 0.00 C ATOM 726 OD1 ASP A 50 19.845 -7.945 15.391 1.00 0.00 O ATOM 727 OD2 ASP A 50 17.862 -8.870 15.586 1.00 0.00 O ATOM 0 H ASP A 50 17.632 -8.425 11.259 1.00 0.00 H new ATOM 0 HA ASP A 50 18.474 -6.625 13.194 1.00 0.00 H new ATOM 0 HB2 ASP A 50 17.879 -9.252 13.145 1.00 0.00 H new ATOM 0 HB3 ASP A 50 19.625 -9.396 13.126 1.00 0.00 H new ATOM 732 N ARG A 51 21.120 -6.836 13.379 1.00 0.00 N ATOM 733 CA ARG A 51 22.533 -6.504 13.242 1.00 0.00 C ATOM 734 C ARG A 51 23.410 -7.691 13.631 1.00 0.00 C ATOM 735 O ARG A 51 24.505 -7.868 13.098 1.00 0.00 O ATOM 736 CB ARG A 51 22.881 -5.293 14.110 1.00 0.00 C ATOM 737 CG ARG A 51 22.484 -5.455 15.568 1.00 0.00 C ATOM 738 CD ARG A 51 21.099 -4.886 15.835 1.00 0.00 C ATOM 739 NE ARG A 51 20.976 -4.362 17.193 1.00 0.00 N ATOM 740 CZ ARG A 51 21.409 -3.161 17.559 1.00 0.00 C ATOM 741 NH1 ARG A 51 21.991 -2.364 16.674 1.00 0.00 N ATOM 742 NH2 ARG A 51 21.260 -2.754 18.813 1.00 0.00 N ATOM 0 H ARG A 51 20.779 -6.839 14.340 1.00 0.00 H new ATOM 0 HA ARG A 51 22.724 -6.260 12.197 1.00 0.00 H new ATOM 0 HB2 ARG A 51 23.954 -5.112 14.052 1.00 0.00 H new ATOM 0 HB3 ARG A 51 22.386 -4.411 13.703 1.00 0.00 H new ATOM 0 HG2 ARG A 51 22.502 -6.511 15.836 1.00 0.00 H new ATOM 0 HG3 ARG A 51 23.214 -4.952 16.203 1.00 0.00 H new ATOM 0 HD2 ARG A 51 20.889 -4.091 15.119 1.00 0.00 H new ATOM 0 HD3 ARG A 51 20.351 -5.663 15.677 1.00 0.00 H new ATOM 0 HE ARG A 51 20.533 -4.951 17.899 1.00 0.00 H new ATOM 0 HH11 ARG A 51 22.107 -2.673 15.709 1.00 0.00 H new ATOM 0 HH12 ARG A 51 22.322 -1.442 16.958 1.00 0.00 H new ATOM 0 HH21 ARG A 51 20.812 -3.364 19.497 1.00 0.00 H new ATOM 0 HH22 ARG A 51 21.593 -1.831 19.093 1.00 0.00 H new ATOM 756 N VAL A 52 22.921 -8.501 14.565 1.00 0.00 N ATOM 757 CA VAL A 52 23.659 -9.671 15.025 1.00 0.00 C ATOM 758 C VAL A 52 23.479 -10.845 14.070 1.00 0.00 C ATOM 759 O VAL A 52 24.433 -11.557 13.755 1.00 0.00 O ATOM 760 CB VAL A 52 23.212 -10.097 16.436 1.00 0.00 C ATOM 761 CG1 VAL A 52 23.558 -9.021 17.453 1.00 0.00 C ATOM 762 CG2 VAL A 52 21.722 -10.401 16.453 1.00 0.00 C ATOM 0 H VAL A 52 22.017 -8.368 15.018 1.00 0.00 H new ATOM 0 HA VAL A 52 24.712 -9.390 15.055 1.00 0.00 H new ATOM 0 HB VAL A 52 23.747 -11.006 16.710 1.00 0.00 H new ATOM 0 HG11 VAL A 52 23.235 -9.340 18.444 1.00 0.00 H new ATOM 0 HG12 VAL A 52 24.636 -8.858 17.458 1.00 0.00 H new ATOM 0 HG13 VAL A 52 23.052 -8.093 17.187 1.00 0.00 H new ATOM 0 HG21 VAL A 52 21.423 -10.700 17.458 1.00 0.00 H new ATOM 0 HG22 VAL A 52 21.166 -9.511 16.159 1.00 0.00 H new ATOM 0 HG23 VAL A 52 21.508 -11.210 15.755 1.00 0.00 H new ATOM 772 N THR A 53 22.247 -11.043 13.610 1.00 0.00 N ATOM 773 CA THR A 53 21.940 -12.132 12.691 1.00 0.00 C ATOM 774 C THR A 53 21.879 -11.635 11.251 1.00 0.00 C ATOM 775 O THR A 53 22.341 -12.309 10.331 1.00 0.00 O ATOM 776 CB THR A 53 20.602 -12.807 13.046 1.00 0.00 C ATOM 777 OG1 THR A 53 19.544 -11.842 13.019 1.00 0.00 O ATOM 778 CG2 THR A 53 20.670 -13.453 14.422 1.00 0.00 C ATOM 0 H THR A 53 21.446 -10.463 13.859 1.00 0.00 H new ATOM 0 HA THR A 53 22.743 -12.862 12.787 1.00 0.00 H new ATOM 0 HB THR A 53 20.405 -13.583 12.307 1.00 0.00 H new ATOM 0 HG1 THR A 53 18.696 -12.279 13.244 1.00 0.00 H new ATOM 0 HG21 THR A 53 19.714 -13.923 14.651 1.00 0.00 H new ATOM 0 HG22 THR A 53 21.457 -14.207 14.431 1.00 0.00 H new ATOM 0 HG23 THR A 53 20.888 -12.692 15.171 1.00 0.00 H new ATOM 786 N GLY A 54 21.305 -10.450 11.062 1.00 0.00 N ATOM 787 CA GLY A 54 21.195 -9.883 9.731 1.00 0.00 C ATOM 788 C GLY A 54 20.061 -10.495 8.932 1.00 0.00 C ATOM 789 O GLY A 54 20.138 -10.590 7.708 1.00 0.00 O ATOM 0 H GLY A 54 20.914 -9.873 11.807 1.00 0.00 H new ATOM 0 HA2 GLY A 54 21.041 -8.807 9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.133 -10.032 9.197 1.00 0.00 H new ATOM 793 N GLN A 55 19.008 -10.913 9.627 1.00 0.00 N ATOM 794 CA GLN A 55 17.855 -11.521 8.974 1.00 0.00 C ATOM 795 C GLN A 55 16.577 -10.758 9.305 1.00 0.00 C ATOM 796 O GLN A 55 16.345 -10.382 10.455 1.00 0.00 O ATOM 797 CB GLN A 55 17.715 -12.984 9.399 1.00 0.00 C ATOM 798 CG GLN A 55 18.923 -13.838 9.048 1.00 0.00 C ATOM 799 CD GLN A 55 19.055 -14.078 7.557 1.00 0.00 C ATOM 800 OE1 GLN A 55 18.776 -13.193 6.747 1.00 0.00 O ATOM 801 NE2 GLN A 55 19.482 -15.279 7.187 1.00 0.00 N ATOM 0 H GLN A 55 18.930 -10.842 10.641 1.00 0.00 H new ATOM 0 HA GLN A 55 18.014 -11.477 7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.551 -13.027 10.476 1.00 0.00 H new ATOM 0 HB3 GLN A 55 16.830 -13.408 8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 55 19.826 -13.351 9.415 1.00 0.00 H new ATOM 0 HG3 GLN A 55 18.847 -14.797 9.561 1.00 0.00 H new ATOM 0 HE21 GLN A 55 19.702 -15.982 7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 55 19.591 -15.499 6.197 1.00 0.00 H new ATOM 810 N HIS A 56 15.749 -10.532 8.290 1.00 0.00 N ATOM 811 CA HIS A 56 14.493 -9.813 8.473 1.00 0.00 C ATOM 812 C HIS A 56 13.858 -10.163 9.816 1.00 0.00 C ATOM 813 O HIS A 56 13.526 -11.320 10.072 1.00 0.00 O ATOM 814 CB HIS A 56 13.523 -10.140 7.337 1.00 0.00 C ATOM 815 CG HIS A 56 12.851 -11.470 7.486 1.00 0.00 C ATOM 816 ND1 HIS A 56 11.641 -11.633 8.128 1.00 0.00 N ATOM 817 CD2 HIS A 56 13.225 -12.703 7.072 1.00 0.00 C ATOM 818 CE1 HIS A 56 11.301 -12.910 8.103 1.00 0.00 C ATOM 819 NE2 HIS A 56 12.245 -13.580 7.467 1.00 0.00 N ATOM 0 H HIS A 56 15.925 -10.836 7.332 1.00 0.00 H new ATOM 0 HA HIS A 56 14.709 -8.745 8.460 1.00 0.00 H new ATOM 0 HB2 HIS A 56 12.762 -9.362 7.285 1.00 0.00 H new ATOM 0 HB3 HIS A 56 14.064 -10.120 6.391 1.00 0.00 H new ATOM 0 HD1 HIS A 56 11.094 -10.885 8.555 1.00 0.00 H new ATOM 0 HD2 HIS A 56 14.127 -12.951 6.532 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.404 -13.334 8.530 1.00 0.00 H new ATOM 827 N GLN A 57 13.693 -9.156 10.667 1.00 0.00 N ATOM 828 CA GLN A 57 13.099 -9.359 11.983 1.00 0.00 C ATOM 829 C GLN A 57 11.705 -9.965 11.864 1.00 0.00 C ATOM 830 O GLN A 57 11.340 -10.862 12.623 1.00 0.00 O ATOM 831 CB GLN A 57 13.029 -8.034 12.744 1.00 0.00 C ATOM 832 CG GLN A 57 14.357 -7.609 13.350 1.00 0.00 C ATOM 833 CD GLN A 57 14.347 -6.170 13.827 1.00 0.00 C ATOM 834 OE1 GLN A 57 15.051 -5.319 13.285 1.00 0.00 O ATOM 835 NE2 GLN A 57 13.545 -5.891 14.848 1.00 0.00 N ATOM 0 H GLN A 57 13.962 -8.192 10.469 1.00 0.00 H new ATOM 0 HA GLN A 57 13.731 -10.054 12.535 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.682 -7.254 12.067 1.00 0.00 H new ATOM 0 HB3 GLN A 57 12.288 -8.120 13.538 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.596 -8.264 14.188 1.00 0.00 H new ATOM 0 HG3 GLN A 57 15.147 -7.737 12.610 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.978 -6.628 15.268 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.496 -4.940 15.213 1.00 0.00 H new ATOM 844 N GLY A 58 10.929 -9.468 10.905 1.00 0.00 N ATOM 845 CA GLY A 58 9.583 -9.972 10.705 1.00 0.00 C ATOM 846 C GLY A 58 8.655 -8.930 10.112 1.00 0.00 C ATOM 847 O GLY A 58 7.680 -9.266 9.440 1.00 0.00 O ATOM 0 H GLY A 58 11.209 -8.726 10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.618 -10.840 10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.180 -10.312 11.659 1.00 0.00 H new ATOM 851 N TYR A 59 8.958 -7.661 10.363 1.00 0.00 N ATOM 852 CA TYR A 59 8.141 -6.565 9.853 1.00 0.00 C ATOM 853 C TYR A 59 8.821 -5.886 8.668 1.00 0.00 C ATOM 854 O TYR A 59 10.039 -5.712 8.651 1.00 0.00 O ATOM 855 CB TYR A 59 7.875 -5.542 10.958 1.00 0.00 C ATOM 856 CG TYR A 59 9.085 -4.709 11.316 1.00 0.00 C ATOM 857 CD1 TYR A 59 10.048 -5.189 12.195 1.00 0.00 C ATOM 858 CD2 TYR A 59 9.266 -3.442 10.775 1.00 0.00 C ATOM 859 CE1 TYR A 59 11.155 -4.431 12.525 1.00 0.00 C ATOM 860 CE2 TYR A 59 10.370 -2.678 11.099 1.00 0.00 C ATOM 861 CZ TYR A 59 11.311 -3.176 11.975 1.00 0.00 C ATOM 862 OH TYR A 59 12.413 -2.419 12.300 1.00 0.00 O ATOM 0 H TYR A 59 9.763 -7.366 10.916 1.00 0.00 H new ATOM 0 HA TYR A 59 7.191 -6.979 9.516 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.069 -4.880 10.642 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.527 -6.064 11.849 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.929 -6.171 12.628 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.531 -3.048 10.089 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.894 -4.819 13.210 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.496 -1.696 10.668 1.00 0.00 H new ATOM 0 HH TYR A 59 12.372 -1.562 11.827 1.00 0.00 H new ATOM 872 N GLY A 60 8.022 -5.502 7.676 1.00 0.00 N ATOM 873 CA GLY A 60 8.563 -4.845 6.500 1.00 0.00 C ATOM 874 C GLY A 60 7.692 -3.699 6.025 1.00 0.00 C ATOM 875 O GLY A 60 6.829 -3.219 6.760 1.00 0.00 O ATOM 0 H GLY A 60 7.011 -5.634 7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.562 -4.470 6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.669 -5.574 5.697 1.00 0.00 H new ATOM 879 N PHE A 61 7.920 -3.257 4.792 1.00 0.00 N ATOM 880 CA PHE A 61 7.151 -2.158 4.220 1.00 0.00 C ATOM 881 C PHE A 61 7.219 -2.182 2.696 1.00 0.00 C ATOM 882 O PHE A 61 8.221 -2.600 2.115 1.00 0.00 O ATOM 883 CB PHE A 61 7.670 -0.818 4.744 1.00 0.00 C ATOM 884 CG PHE A 61 7.861 -0.790 6.234 1.00 0.00 C ATOM 885 CD1 PHE A 61 8.973 -1.379 6.814 1.00 0.00 C ATOM 886 CD2 PHE A 61 6.928 -0.176 7.054 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.153 -1.355 8.184 1.00 0.00 C ATOM 888 CE2 PHE A 61 7.103 -0.148 8.425 1.00 0.00 C ATOM 889 CZ PHE A 61 8.215 -0.740 8.991 1.00 0.00 C ATOM 0 H PHE A 61 8.631 -3.643 4.170 1.00 0.00 H new ATOM 0 HA PHE A 61 6.111 -2.280 4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.620 -0.591 4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.971 -0.031 4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.708 -1.863 6.188 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.055 0.286 6.617 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.025 -1.816 8.623 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.370 0.337 9.053 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.351 -0.722 10.062 1.00 0.00 H new ATOM 899 N VAL A 62 6.147 -1.730 2.054 1.00 0.00 N ATOM 900 CA VAL A 62 6.084 -1.698 0.598 1.00 0.00 C ATOM 901 C VAL A 62 5.631 -0.331 0.097 1.00 0.00 C ATOM 902 O VAL A 62 4.454 0.014 0.186 1.00 0.00 O ATOM 903 CB VAL A 62 5.126 -2.775 0.054 1.00 0.00 C ATOM 904 CG1 VAL A 62 5.101 -2.748 -1.467 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.527 -4.151 0.564 1.00 0.00 C ATOM 0 H VAL A 62 5.310 -1.381 2.520 1.00 0.00 H new ATOM 0 HA VAL A 62 7.091 -1.900 0.233 1.00 0.00 H new ATOM 0 HB VAL A 62 4.120 -2.558 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.419 -3.515 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.763 -1.769 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.103 -2.940 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.840 -4.900 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.541 -4.380 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.489 -4.161 1.653 1.00 0.00 H new ATOM 915 N GLU A 63 6.575 0.442 -0.430 1.00 0.00 N ATOM 916 CA GLU A 63 6.273 1.772 -0.946 1.00 0.00 C ATOM 917 C GLU A 63 5.680 1.690 -2.349 1.00 0.00 C ATOM 918 O GLU A 63 6.357 1.296 -3.299 1.00 0.00 O ATOM 919 CB GLU A 63 7.536 2.636 -0.963 1.00 0.00 C ATOM 920 CG GLU A 63 7.318 4.020 -1.552 1.00 0.00 C ATOM 921 CD GLU A 63 8.329 5.033 -1.050 1.00 0.00 C ATOM 922 OE1 GLU A 63 9.512 4.664 -0.894 1.00 0.00 O ATOM 923 OE2 GLU A 63 7.936 6.194 -0.813 1.00 0.00 O ATOM 0 H GLU A 63 7.555 0.170 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 63 5.537 2.231 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.910 2.739 0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.309 2.124 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.377 3.962 -2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.313 4.362 -1.305 1.00 0.00 H new ATOM 930 N PHE A 64 4.411 2.065 -2.472 1.00 0.00 N ATOM 931 CA PHE A 64 3.725 2.033 -3.759 1.00 0.00 C ATOM 932 C PHE A 64 4.052 3.276 -4.581 1.00 0.00 C ATOM 933 O PHE A 64 4.623 4.240 -4.069 1.00 0.00 O ATOM 934 CB PHE A 64 2.213 1.927 -3.552 1.00 0.00 C ATOM 935 CG PHE A 64 1.740 0.527 -3.286 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.559 -0.367 -4.329 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.477 0.104 -1.993 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.124 -1.657 -4.087 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.043 -1.184 -1.745 1.00 0.00 C ATOM 940 CZ PHE A 64 0.865 -2.066 -2.794 1.00 0.00 C ATOM 0 H PHE A 64 3.837 2.395 -1.696 1.00 0.00 H new ATOM 0 HA PHE A 64 4.072 1.156 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.923 2.564 -2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.706 2.311 -4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.760 -0.053 -5.343 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.613 0.789 -1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.987 -2.344 -4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.843 -1.501 -0.732 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.524 -3.073 -2.603 1.00 0.00 H new ATOM 950 N LEU A 65 3.687 3.247 -5.857 1.00 0.00 N ATOM 951 CA LEU A 65 3.941 4.370 -6.752 1.00 0.00 C ATOM 952 C LEU A 65 3.063 5.564 -6.390 1.00 0.00 C ATOM 953 O LEU A 65 3.544 6.693 -6.289 1.00 0.00 O ATOM 954 CB LEU A 65 3.689 3.959 -8.204 1.00 0.00 C ATOM 955 CG LEU A 65 4.099 4.976 -9.270 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.609 4.983 -9.450 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.404 4.674 -10.590 1.00 0.00 C ATOM 0 H LEU A 65 3.214 2.457 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 65 4.985 4.662 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.222 3.028 -8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.626 3.748 -8.322 1.00 0.00 H new ATOM 0 HG LEU A 65 3.790 5.967 -8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.881 5.713 -10.212 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.087 5.248 -8.507 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.943 3.993 -9.760 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.707 5.408 -11.337 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.682 3.676 -10.928 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.324 4.722 -10.452 1.00 0.00 H new ATOM 969 N SER A 66 1.774 5.306 -6.195 1.00 0.00 N ATOM 970 CA SER A 66 0.828 6.360 -5.845 1.00 0.00 C ATOM 971 C SER A 66 0.232 6.117 -4.462 1.00 0.00 C ATOM 972 O SER A 66 -0.071 4.983 -4.095 1.00 0.00 O ATOM 973 CB SER A 66 -0.289 6.437 -6.887 1.00 0.00 C ATOM 974 OG SER A 66 0.242 6.515 -8.199 1.00 0.00 O ATOM 0 H SER A 66 1.360 4.377 -6.273 1.00 0.00 H new ATOM 0 HA SER A 66 1.367 7.308 -5.828 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.931 5.560 -6.802 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.914 7.309 -6.692 1.00 0.00 H new ATOM 0 HG SER A 66 -0.492 6.561 -8.847 1.00 0.00 H new ATOM 980 N GLU A 67 0.068 7.193 -3.698 1.00 0.00 N ATOM 981 CA GLU A 67 -0.491 7.098 -2.355 1.00 0.00 C ATOM 982 C GLU A 67 -1.731 6.209 -2.343 1.00 0.00 C ATOM 983 O GLU A 67 -1.858 5.315 -1.507 1.00 0.00 O ATOM 984 CB GLU A 67 -0.842 8.490 -1.825 1.00 0.00 C ATOM 985 CG GLU A 67 -1.107 8.522 -0.329 1.00 0.00 C ATOM 986 CD GLU A 67 -2.533 8.144 0.020 1.00 0.00 C ATOM 987 OE1 GLU A 67 -3.455 8.908 -0.338 1.00 0.00 O ATOM 988 OE2 GLU A 67 -2.728 7.084 0.651 1.00 0.00 O ATOM 0 H GLU A 67 0.314 8.140 -3.986 1.00 0.00 H new ATOM 0 HA GLU A 67 0.262 6.650 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.025 9.174 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.724 8.858 -2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.421 7.839 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.897 9.521 0.052 1.00 0.00 H new ATOM 995 N GLU A 68 -2.643 6.463 -3.277 1.00 0.00 N ATOM 996 CA GLU A 68 -3.874 5.687 -3.373 1.00 0.00 C ATOM 997 C GLU A 68 -3.572 4.192 -3.424 1.00 0.00 C ATOM 998 O GLU A 68 -4.203 3.396 -2.729 1.00 0.00 O ATOM 999 CB GLU A 68 -4.669 6.101 -4.613 1.00 0.00 C ATOM 1000 CG GLU A 68 -3.899 5.934 -5.912 1.00 0.00 C ATOM 1001 CD GLU A 68 -4.711 6.341 -7.127 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -5.909 5.993 -7.183 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -4.148 7.006 -8.022 1.00 0.00 O ATOM 0 H GLU A 68 -2.552 7.199 -3.977 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.471 5.889 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.583 5.509 -4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.970 7.144 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.989 6.533 -5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.592 4.894 -6.017 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.603 3.819 -4.253 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.216 2.420 -4.395 1.00 0.00 C ATOM 1012 C ASP A 69 -2.015 1.770 -3.030 1.00 0.00 C ATOM 1013 O ASP A 69 -2.444 0.639 -2.801 1.00 0.00 O ATOM 1014 CB ASP A 69 -0.934 2.305 -5.222 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.118 2.793 -6.646 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -2.260 2.742 -7.147 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -0.119 3.226 -7.259 1.00 0.00 O ATOM 0 H ASP A 69 -2.072 4.465 -4.836 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.021 1.897 -4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.143 2.882 -4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.607 1.265 -5.237 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.359 2.492 -2.127 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.102 1.985 -0.785 1.00 0.00 C ATOM 1024 C ALA A 70 -2.404 1.631 -0.073 1.00 0.00 C ATOM 1025 O ALA A 70 -2.603 0.491 0.346 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.318 3.008 0.024 1.00 0.00 C ATOM 0 H ALA A 70 -0.996 3.429 -2.301 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.508 1.075 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.133 2.616 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.633 3.210 -0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.892 3.932 0.096 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.286 2.615 0.060 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.569 2.407 0.721 1.00 0.00 C ATOM 1034 C ASP A 71 -5.262 1.159 0.182 1.00 0.00 C ATOM 1035 O ASP A 71 -5.874 0.402 0.936 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.470 3.628 0.530 1.00 0.00 C ATOM 1037 CG ASP A 71 -6.916 3.342 0.882 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -7.198 3.092 2.072 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -7.766 3.367 -0.033 1.00 0.00 O ATOM 0 H ASP A 71 -3.136 3.565 -0.281 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.382 2.266 1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.104 4.447 1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.411 3.961 -0.506 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.162 0.952 -1.126 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.782 -0.202 -1.767 1.00 0.00 C ATOM 1046 C TYR A 72 -5.163 -1.502 -1.263 1.00 0.00 C ATOM 1047 O TYR A 72 -5.857 -2.501 -1.075 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.634 -0.109 -3.286 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.589 -1.003 -4.044 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -6.409 -2.381 -4.069 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.670 -0.471 -4.735 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -7.279 -3.202 -4.760 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.546 -1.285 -5.427 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.346 -2.650 -5.437 1.00 0.00 C ATOM 1055 OH TYR A 72 -9.215 -3.464 -6.127 1.00 0.00 O ATOM 0 H TYR A 72 -4.658 1.568 -1.763 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.842 -0.202 -1.512 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.794 0.924 -3.595 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.611 -0.369 -3.559 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.575 -2.817 -3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.829 0.597 -4.731 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.124 -4.271 -4.770 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.383 -0.855 -5.957 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.911 -2.917 -6.547 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.852 -1.481 -1.046 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.139 -2.656 -0.562 1.00 0.00 C ATOM 1067 C ALA A 73 -3.423 -2.901 0.916 1.00 0.00 C ATOM 1068 O ALA A 73 -3.351 -4.034 1.393 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.643 -2.499 -0.794 1.00 0.00 C ATOM 0 H ALA A 73 -3.262 -0.663 -1.198 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.494 -3.521 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.123 -3.384 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.451 -2.381 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.282 -1.620 -0.260 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.746 -1.832 1.637 1.00 0.00 N ATOM 1076 CA ILE A 74 -4.041 -1.931 3.061 1.00 0.00 C ATOM 1077 C ILE A 74 -5.437 -2.500 3.294 1.00 0.00 C ATOM 1078 O ILE A 74 -5.782 -2.890 4.410 1.00 0.00 O ATOM 1079 CB ILE A 74 -3.934 -0.561 3.755 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.576 0.080 3.461 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -4.143 -0.709 5.255 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.558 1.578 3.667 1.00 0.00 C ATOM 0 H ILE A 74 -3.810 -0.887 1.258 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.300 -2.605 3.491 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.714 0.091 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.822 -0.376 4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.295 -0.140 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.064 0.268 5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.132 -1.127 5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.383 -1.374 5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.564 1.965 3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.288 2.045 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.808 1.806 4.703 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.236 -2.545 2.234 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.594 -3.069 2.321 1.00 0.00 C ATOM 1096 C LYS A 75 -7.626 -4.557 1.987 1.00 0.00 C ATOM 1097 O LYS A 75 -8.448 -5.304 2.519 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.519 -2.303 1.372 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.699 -2.976 0.022 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.297 -2.025 -1.000 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.818 -2.049 -0.961 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.357 -1.204 0.141 1.00 0.00 N ATOM 0 H LYS A 75 -5.967 -2.225 1.304 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.943 -2.937 3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.495 -2.188 1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.119 -1.301 1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.735 -3.338 -0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.345 -3.847 0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.943 -1.012 -0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.953 -2.298 -1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.212 -1.697 -1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.162 -3.075 -0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.295 -0.843 -0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.439 -1.774 1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.714 -0.405 0.312 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.726 -4.980 1.106 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.650 -6.380 0.705 1.00 0.00 C ATOM 1118 C ILE A 76 -5.558 -7.114 1.476 1.00 0.00 C ATOM 1119 O ILE A 76 -5.723 -8.273 1.854 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.379 -6.519 -0.804 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.063 -5.832 -1.174 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.532 -5.932 -1.605 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.605 -6.124 -2.586 1.00 0.00 C ATOM 0 H ILE A 76 -6.040 -4.374 0.656 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.617 -6.827 0.935 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.295 -7.578 -1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.178 -4.755 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.288 -6.150 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.326 -6.038 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.453 -6.461 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.645 -4.876 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.666 -5.605 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.457 -7.197 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.361 -5.781 -3.292 1.00 0.00 H new ATOM 1135 N MET A 77 -4.442 -6.430 1.707 1.00 0.00 N ATOM 1136 CA MET A 77 -3.323 -7.016 2.435 1.00 0.00 C ATOM 1137 C MET A 77 -3.488 -6.814 3.938 1.00 0.00 C ATOM 1138 O MET A 77 -2.505 -6.750 4.677 1.00 0.00 O ATOM 1139 CB MET A 77 -2.003 -6.400 1.968 1.00 0.00 C ATOM 1140 CG MET A 77 -1.858 -6.350 0.455 1.00 0.00 C ATOM 1141 SD MET A 77 -2.353 -7.889 -0.342 1.00 0.00 S ATOM 1142 CE MET A 77 -0.902 -8.239 -1.332 1.00 0.00 C ATOM 0 H MET A 77 -4.289 -5.469 1.400 1.00 0.00 H new ATOM 0 HA MET A 77 -3.308 -8.086 2.229 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.922 -5.389 2.366 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.176 -6.974 2.385 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.462 -5.532 0.063 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.821 -6.131 0.200 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.763 -9.318 -1.405 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.033 -7.822 -2.330 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.026 -7.791 -0.864 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.735 -6.714 4.384 1.00 0.00 N ATOM 1153 CA ASP A 78 -5.028 -6.520 5.800 1.00 0.00 C ATOM 1154 C ASP A 78 -5.306 -7.854 6.485 1.00 0.00 C ATOM 1155 O ASP A 78 -6.126 -8.644 6.018 1.00 0.00 O ATOM 1156 CB ASP A 78 -6.226 -5.585 5.971 1.00 0.00 C ATOM 1157 CG ASP A 78 -7.541 -6.335 6.034 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -7.917 -6.782 7.138 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -8.196 -6.477 4.980 1.00 0.00 O ATOM 0 H ASP A 78 -5.560 -6.764 3.786 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.154 -6.067 6.268 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.100 -5.001 6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.253 -4.879 5.141 1.00 0.00 H new ATOM 1164 N MET A 79 -4.617 -8.099 7.594 1.00 0.00 N ATOM 1165 CA MET A 79 -4.790 -9.338 8.344 1.00 0.00 C ATOM 1166 C MET A 79 -4.807 -10.542 7.407 1.00 0.00 C ATOM 1167 O MET A 79 -5.637 -11.441 7.552 1.00 0.00 O ATOM 1168 CB MET A 79 -6.086 -9.291 9.156 1.00 0.00 C ATOM 1169 CG MET A 79 -6.011 -8.377 10.368 1.00 0.00 C ATOM 1170 SD MET A 79 -7.548 -8.342 11.309 1.00 0.00 S ATOM 1171 CE MET A 79 -7.094 -9.325 12.736 1.00 0.00 C ATOM 0 H MET A 79 -3.933 -7.456 7.994 1.00 0.00 H new ATOM 0 HA MET A 79 -3.946 -9.442 9.026 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.898 -8.958 8.510 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.335 -10.299 9.487 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.200 -8.707 11.017 1.00 0.00 H new ATOM 0 HG3 MET A 79 -5.767 -7.366 10.041 1.00 0.00 H new ATOM 0 HE1 MET A 79 -7.944 -9.396 13.414 1.00 0.00 H new ATOM 0 HE2 MET A 79 -6.804 -10.325 12.412 1.00 0.00 H new ATOM 0 HE3 MET A 79 -6.257 -8.854 13.251 1.00 0.00 H new ATOM 1181 N ILE A 80 -3.888 -10.553 6.449 1.00 0.00 N ATOM 1182 CA ILE A 80 -3.797 -11.647 5.490 1.00 0.00 C ATOM 1183 C ILE A 80 -3.192 -12.891 6.131 1.00 0.00 C ATOM 1184 O ILE A 80 -2.437 -12.800 7.099 1.00 0.00 O ATOM 1185 CB ILE A 80 -2.953 -11.253 4.263 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -3.791 -10.429 3.283 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.398 -12.494 3.581 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.241 -10.422 1.875 1.00 0.00 C ATOM 0 H ILE A 80 -3.195 -9.816 6.316 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.814 -11.866 5.165 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.115 -10.642 4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.807 -10.823 3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.854 -9.403 3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.804 -12.199 2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.770 -13.044 4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.222 -13.130 3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.886 -9.819 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.236 -10.000 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.204 -11.442 1.494 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.526 -14.055 5.583 1.00 0.00 N ATOM 1201 CA LYS A 81 -3.014 -15.319 6.098 1.00 0.00 C ATOM 1202 C LYS A 81 -1.967 -15.906 5.156 1.00 0.00 C ATOM 1203 O LYS A 81 -2.288 -16.710 4.279 1.00 0.00 O ATOM 1204 CB LYS A 81 -4.158 -16.316 6.291 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.816 -16.230 7.658 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.371 -17.575 8.095 1.00 0.00 C ATOM 1207 CE LYS A 81 -6.126 -17.466 9.411 1.00 0.00 C ATOM 1208 NZ LYS A 81 -7.563 -17.140 9.201 1.00 0.00 N ATOM 0 H LYS A 81 -4.150 -14.149 4.781 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.543 -15.126 7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.912 -16.144 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.777 -17.326 6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.089 -15.880 8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.620 -15.495 7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.036 -17.963 7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.555 -18.290 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.043 -18.406 9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.666 -16.696 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.042 -17.075 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.643 -16.230 8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.009 -17.887 8.631 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.716 -15.502 5.343 1.00 0.00 N ATOM 1223 CA LEU A 82 0.378 -15.989 4.511 1.00 0.00 C ATOM 1224 C LEU A 82 1.192 -17.049 5.247 1.00 0.00 C ATOM 1225 O LEU A 82 1.389 -16.964 6.459 1.00 0.00 O ATOM 1226 CB LEU A 82 1.286 -14.830 4.096 1.00 0.00 C ATOM 1227 CG LEU A 82 2.426 -15.179 3.140 1.00 0.00 C ATOM 1228 CD1 LEU A 82 1.886 -15.466 1.747 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.449 -14.053 3.096 1.00 0.00 C ATOM 0 H LEU A 82 -0.434 -14.838 6.064 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.052 -16.442 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.670 -14.061 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.715 -14.391 4.997 1.00 0.00 H new ATOM 0 HG LEU A 82 2.920 -16.078 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.712 -15.713 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.193 -16.306 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.366 -14.586 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.253 -14.319 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.968 -13.137 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.860 -13.895 4.093 1.00 0.00 H new ATOM 1241 N TYR A 83 1.664 -18.045 4.506 1.00 0.00 N ATOM 1242 CA TYR A 83 2.457 -19.122 5.088 1.00 0.00 C ATOM 1243 C TYR A 83 2.173 -19.262 6.581 1.00 0.00 C ATOM 1244 O TYR A 83 3.085 -19.216 7.405 1.00 0.00 O ATOM 1245 CB TYR A 83 3.948 -18.864 4.864 1.00 0.00 C ATOM 1246 CG TYR A 83 4.282 -18.431 3.454 1.00 0.00 C ATOM 1247 CD1 TYR A 83 3.803 -19.136 2.357 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.076 -17.315 3.220 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.106 -18.744 1.068 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.384 -16.915 1.934 1.00 0.00 C ATOM 1251 CZ TYR A 83 4.897 -17.633 0.861 1.00 0.00 C ATOM 1252 OH TYR A 83 5.200 -17.238 -0.421 1.00 0.00 O ATOM 0 H TYR A 83 1.511 -18.129 3.501 1.00 0.00 H new ATOM 0 HA TYR A 83 2.177 -20.053 4.594 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.284 -18.096 5.560 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.504 -19.772 5.098 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.183 -20.006 2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.459 -16.751 4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 83 3.726 -19.304 0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.003 -16.045 1.769 1.00 0.00 H new ATOM 0 HH TYR A 83 5.765 -16.438 -0.392 1.00 0.00 H new ATOM 1262 N GLY A 84 0.898 -19.433 6.920 1.00 0.00 N ATOM 1263 CA GLY A 84 0.515 -19.578 8.313 1.00 0.00 C ATOM 1264 C GLY A 84 1.028 -18.443 9.176 1.00 0.00 C ATOM 1265 O GLY A 84 1.840 -18.656 10.077 1.00 0.00 O ATOM 0 H GLY A 84 0.125 -19.474 6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.572 -19.623 8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.899 -20.524 8.696 1.00 0.00 H new ATOM 1269 N LYS A 85 0.555 -17.232 8.902 1.00 0.00 N ATOM 1270 CA LYS A 85 0.971 -16.058 9.660 1.00 0.00 C ATOM 1271 C LYS A 85 0.084 -14.859 9.336 1.00 0.00 C ATOM 1272 O LYS A 85 0.190 -14.248 8.273 1.00 0.00 O ATOM 1273 CB LYS A 85 2.433 -15.721 9.357 1.00 0.00 C ATOM 1274 CG LYS A 85 3.420 -16.407 10.284 1.00 0.00 C ATOM 1275 CD LYS A 85 4.673 -15.571 10.483 1.00 0.00 C ATOM 1276 CE LYS A 85 4.466 -14.500 11.544 1.00 0.00 C ATOM 1277 NZ LYS A 85 5.745 -14.119 12.204 1.00 0.00 N ATOM 0 H LYS A 85 -0.117 -17.038 8.160 1.00 0.00 H new ATOM 0 HA LYS A 85 0.870 -16.287 10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.657 -16.004 8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.571 -14.642 9.428 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.947 -16.590 11.249 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.692 -17.379 9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.501 -16.218 10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.952 -15.101 9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.016 -13.618 11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.764 -14.863 12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.557 -13.412 12.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.179 -14.961 12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.394 -13.717 11.498 1.00 0.00 H new ATOM 1291 N PRO A 86 -0.810 -14.513 10.274 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.730 -13.384 10.112 1.00 0.00 C ATOM 1293 C PRO A 86 -1.013 -12.039 10.160 1.00 0.00 C ATOM 1294 O PRO A 86 -0.962 -11.389 11.205 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.680 -13.526 11.304 1.00 0.00 C ATOM 1296 CG PRO A 86 -1.892 -14.267 12.329 1.00 0.00 C ATOM 1297 CD PRO A 86 -0.990 -15.197 11.566 1.00 0.00 C ATOM 0 HA PRO A 86 -2.232 -13.404 9.145 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.997 -12.552 11.676 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.583 -14.071 11.028 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.312 -13.581 12.947 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.548 -14.822 12.999 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.039 -15.345 12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.441 -16.181 11.440 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.459 -11.628 9.024 1.00 0.00 N ATOM 1306 CA ILE A 87 0.254 -10.360 8.938 1.00 0.00 C ATOM 1307 C ILE A 87 -0.648 -9.194 9.329 1.00 0.00 C ATOM 1308 O ILE A 87 -1.827 -9.382 9.630 1.00 0.00 O ATOM 1309 CB ILE A 87 0.801 -10.117 7.519 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.351 -9.960 6.524 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.716 -11.259 7.102 1.00 0.00 C ATOM 1312 CD1 ILE A 87 0.066 -9.343 5.208 1.00 0.00 C ATOM 0 H ILE A 87 -0.490 -12.155 8.151 1.00 0.00 H new ATOM 0 HA ILE A 87 1.089 -10.420 9.636 1.00 0.00 H new ATOM 0 HB ILE A 87 1.381 -9.194 7.522 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.792 -10.939 6.334 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.128 -9.343 6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.095 -11.073 6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.552 -11.328 7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.157 -12.195 7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.801 -9.263 4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.479 -8.350 5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.821 -9.971 4.735 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.086 -7.990 9.321 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.839 -6.793 9.675 1.00 0.00 C ATOM 1326 C ARG A 88 -0.378 -5.596 8.848 1.00 0.00 C ATOM 1327 O ARG A 88 0.759 -5.142 8.975 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.682 -6.487 11.165 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.305 -7.537 12.071 1.00 0.00 C ATOM 1330 CD ARG A 88 -2.824 -7.502 12.002 1.00 0.00 C ATOM 1331 NE ARG A 88 -3.392 -6.527 12.929 1.00 0.00 N ATOM 1332 CZ ARG A 88 -3.613 -5.255 12.614 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -3.316 -4.808 11.402 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -4.132 -4.429 13.513 1.00 0.00 N ATOM 0 H ARG A 88 0.888 -7.818 9.073 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.891 -6.979 9.458 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.379 -6.400 11.400 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.136 -5.519 11.378 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.949 -8.526 11.782 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.982 -7.370 13.099 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.135 -7.260 10.986 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.220 -8.492 12.229 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.632 -6.839 13.870 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.917 -5.441 10.709 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.487 -3.831 11.163 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.362 -4.770 14.446 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.301 -3.453 13.271 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.268 -5.091 8.000 1.00 0.00 N ATOM 1349 CA VAL A 89 -0.953 -3.947 7.152 1.00 0.00 C ATOM 1350 C VAL A 89 -1.760 -2.720 7.563 1.00 0.00 C ATOM 1351 O VAL A 89 -2.935 -2.826 7.913 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.227 -4.255 5.668 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -1.006 -3.016 4.815 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.350 -5.404 5.192 1.00 0.00 C ATOM 0 H VAL A 89 -2.213 -5.456 7.882 1.00 0.00 H new ATOM 0 HA VAL A 89 0.109 -3.740 7.282 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.269 -4.556 5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.204 -3.254 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.680 -2.224 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.026 -2.680 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.557 -5.608 4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.699 -5.134 5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.564 -6.294 5.784 1.00 0.00 H new ATOM 1364 N ASN A 90 -1.121 -1.556 7.516 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.780 -0.307 7.883 1.00 0.00 C ATOM 1366 C ASN A 90 -0.979 0.895 7.393 1.00 0.00 C ATOM 1367 O ASN A 90 0.180 0.764 6.999 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.960 -0.229 9.401 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.468 1.127 9.853 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -1.684 2.024 10.162 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -3.786 1.281 9.894 1.00 0.00 N ATOM 0 H ASN A 90 -0.148 -1.451 7.228 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.760 -0.288 7.405 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.659 -1.001 9.722 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.008 -0.438 9.889 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.186 2.171 10.191 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.398 0.509 9.629 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.605 2.067 7.420 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.951 3.294 6.980 1.00 0.00 C ATOM 1380 C LYS A 91 0.334 3.537 7.764 1.00 0.00 C ATOM 1381 O LYS A 91 0.311 3.663 8.988 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.896 4.486 7.146 1.00 0.00 C ATOM 1383 CG LYS A 91 -3.042 4.498 6.149 1.00 0.00 C ATOM 1384 CD LYS A 91 -2.600 5.038 4.799 1.00 0.00 C ATOM 1385 CE LYS A 91 -3.704 4.911 3.760 1.00 0.00 C ATOM 1386 NZ LYS A 91 -3.234 5.300 2.401 1.00 0.00 N ATOM 0 H LYS A 91 -2.565 2.193 7.742 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.696 3.183 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.305 4.477 8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.325 5.409 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.431 3.487 6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.857 5.109 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.313 6.085 4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.716 4.497 4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.066 3.883 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.547 5.540 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.920 5.952 1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.309 5.770 2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.144 4.450 1.808 1.00 0.00 H new ATOM 1400 N ALA A 92 1.453 3.604 7.051 1.00 0.00 N ATOM 1401 CA ALA A 92 2.747 3.836 7.680 1.00 0.00 C ATOM 1402 C ALA A 92 2.709 5.069 8.576 1.00 0.00 C ATOM 1403 O ALA A 92 3.151 5.028 9.724 1.00 0.00 O ATOM 1404 CB ALA A 92 3.830 3.984 6.622 1.00 0.00 C ATOM 0 H ALA A 92 1.489 3.501 6.037 1.00 0.00 H new ATOM 0 HA ALA A 92 2.979 2.973 8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.791 4.157 7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.883 3.073 6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.593 4.828 5.975 1.00 0.00 H new ATOM 1410 N SER A 93 2.178 6.166 8.044 1.00 0.00 N ATOM 1411 CA SER A 93 2.087 7.412 8.795 1.00 0.00 C ATOM 1412 C SER A 93 0.913 7.375 9.768 1.00 0.00 C ATOM 1413 O SER A 93 0.141 8.329 9.864 1.00 0.00 O ATOM 1414 CB SER A 93 1.934 8.598 7.839 1.00 0.00 C ATOM 1415 OG SER A 93 0.727 8.506 7.102 1.00 0.00 O ATOM 0 H SER A 93 1.805 6.217 7.096 1.00 0.00 H new ATOM 0 HA SER A 93 3.007 7.531 9.367 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.948 9.530 8.405 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.781 8.628 7.154 1.00 0.00 H new ATOM 0 HG SER A 93 0.652 9.276 6.500 1.00 0.00 H new ATOM 1421 N ALA A 94 0.785 6.266 10.489 1.00 0.00 N ATOM 1422 CA ALA A 94 -0.293 6.103 11.457 1.00 0.00 C ATOM 1423 C ALA A 94 0.260 5.859 12.857 1.00 0.00 C ATOM 1424 O ALA A 94 -0.047 6.597 13.794 1.00 0.00 O ATOM 1425 CB ALA A 94 -1.207 4.961 11.042 1.00 0.00 C ATOM 0 H ALA A 94 1.415 5.467 10.421 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.872 7.026 11.479 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.007 4.851 11.774 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.637 5.176 10.064 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.633 4.036 10.990 1.00 0.00 H new ATOM 1431 N HIS A 95 1.075 4.818 12.994 1.00 0.00 N ATOM 1432 CA HIS A 95 1.670 4.477 14.281 1.00 0.00 C ATOM 1433 C HIS A 95 2.537 5.620 14.799 1.00 0.00 C ATOM 1434 O HIS A 95 2.465 5.985 15.972 1.00 0.00 O ATOM 1435 CB HIS A 95 2.506 3.203 14.158 1.00 0.00 C ATOM 1436 CG HIS A 95 3.915 3.451 13.713 1.00 0.00 C ATOM 1437 ND1 HIS A 95 4.406 3.876 12.526 1.00 0.00 N flip ATOM 1438 CD2 HIS A 95 5.008 3.259 14.532 1.00 0.00 C flip ATOM 1439 CE1 HIS A 95 5.772 3.935 12.648 1.00 0.00 C flip ATOM 1440 NE2 HIS A 95 6.110 3.558 13.868 1.00 0.00 N flip ATOM 0 H HIS A 95 1.338 4.196 12.230 1.00 0.00 H new ATOM 0 HA HIS A 95 0.862 4.306 14.993 1.00 0.00 H new ATOM 0 HB2 HIS A 95 2.522 2.695 15.122 1.00 0.00 H new ATOM 0 HB3 HIS A 95 2.024 2.529 13.450 1.00 0.00 H new ATOM 0 HD1 HIS A 95 3.862 4.109 11.695 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.969 2.918 15.556 1.00 0.00 H new ATOM 0 HE1 HIS A 95 6.459 4.240 11.872 1.00 0.00 H new ATOM 1448 N ASN A 96 3.358 6.182 13.917 1.00 0.00 N ATOM 1449 CA ASN A 96 4.240 7.283 14.286 1.00 0.00 C ATOM 1450 C ASN A 96 3.444 8.440 14.882 1.00 0.00 C ATOM 1451 O ASN A 96 3.798 8.975 15.933 1.00 0.00 O ATOM 1452 CB ASN A 96 5.026 7.765 13.065 1.00 0.00 C ATOM 1453 CG ASN A 96 6.134 8.732 13.436 1.00 0.00 C ATOM 1454 OD1 ASN A 96 7.122 8.350 14.063 1.00 0.00 O ATOM 1455 ND2 ASN A 96 5.974 9.992 13.049 1.00 0.00 N ATOM 0 H ASN A 96 3.431 5.893 12.942 1.00 0.00 H new ATOM 0 HA ASN A 96 4.939 6.920 15.039 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.455 6.905 12.550 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.344 8.249 12.365 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.687 10.688 13.270 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.139 10.264 12.531 1.00 0.00 H new ATOM 1462 N LYS A 97 2.367 8.822 14.204 1.00 0.00 N ATOM 1463 CA LYS A 97 1.519 9.915 14.666 1.00 0.00 C ATOM 1464 C LYS A 97 0.727 9.503 15.903 1.00 0.00 C ATOM 1465 O LYS A 97 -0.450 9.158 15.811 1.00 0.00 O ATOM 1466 CB LYS A 97 0.561 10.349 13.554 1.00 0.00 C ATOM 1467 CG LYS A 97 -0.256 11.581 13.903 1.00 0.00 C ATOM 1468 CD LYS A 97 -0.652 12.357 12.658 1.00 0.00 C ATOM 1469 CE LYS A 97 -1.979 11.870 12.096 1.00 0.00 C ATOM 1470 NZ LYS A 97 -1.815 10.643 11.269 1.00 0.00 N ATOM 0 H LYS A 97 2.060 8.391 13.332 1.00 0.00 H new ATOM 0 HA LYS A 97 2.162 10.754 14.931 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.135 10.548 12.649 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.117 9.526 13.328 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.152 11.283 14.447 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.321 12.225 14.567 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.724 13.418 12.897 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.125 12.253 11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.667 11.666 12.916 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.428 12.658 11.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.653 10.516 10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.970 10.738 10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.707 9.817 11.891 1.00 0.00 H new ATOM 1484 N ASN A 98 1.382 9.543 17.059 1.00 0.00 N ATOM 1485 CA ASN A 98 0.737 9.175 18.315 1.00 0.00 C ATOM 1486 C ASN A 98 -0.630 9.841 18.440 1.00 0.00 C ATOM 1487 O ASN A 98 -1.649 9.167 18.596 1.00 0.00 O ATOM 1488 CB ASN A 98 1.620 9.571 19.500 1.00 0.00 C ATOM 1489 CG ASN A 98 0.990 9.218 20.834 1.00 0.00 C ATOM 1490 OD1 ASN A 98 0.101 8.369 20.907 1.00 0.00 O ATOM 1491 ND2 ASN A 98 1.449 9.869 21.896 1.00 0.00 N ATOM 0 H ASN A 98 2.357 9.826 17.152 1.00 0.00 H new ATOM 0 HA ASN A 98 0.596 8.094 18.320 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.585 9.071 19.413 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.812 10.643 19.464 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.064 9.673 22.820 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.187 10.565 21.788 1.00 0.00 H new ATOM 1498 N LEU A 99 -0.644 11.167 18.371 1.00 0.00 N ATOM 1499 CA LEU A 99 -1.886 11.925 18.476 1.00 0.00 C ATOM 1500 C LEU A 99 -2.521 12.124 17.103 1.00 0.00 C ATOM 1501 O LEU A 99 -2.024 12.899 16.286 1.00 0.00 O ATOM 1502 CB LEU A 99 -1.625 13.283 19.131 1.00 0.00 C ATOM 1503 CG LEU A 99 -1.170 13.247 20.590 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -0.498 14.557 20.972 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -2.348 12.962 21.510 1.00 0.00 C ATOM 0 H LEU A 99 0.190 11.740 18.243 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.578 11.356 19.097 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.867 13.806 18.548 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.538 13.875 19.070 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.443 12.443 20.704 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.181 14.513 22.014 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.371 14.719 20.335 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.202 15.379 20.842 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.005 12.940 22.544 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.098 13.744 21.393 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.786 11.998 21.253 1.00 0.00 H new ATOM 1517 N SER A 100 -3.621 11.421 16.858 1.00 0.00 N ATOM 1518 CA SER A 100 -4.323 11.519 15.583 1.00 0.00 C ATOM 1519 C SER A 100 -5.478 12.512 15.674 1.00 0.00 C ATOM 1520 O SER A 100 -6.411 12.327 16.454 1.00 0.00 O ATOM 1521 CB SER A 100 -4.849 10.146 15.160 1.00 0.00 C ATOM 1522 OG SER A 100 -5.218 10.142 13.792 1.00 0.00 O ATOM 0 H SER A 100 -4.046 10.777 17.525 1.00 0.00 H new ATOM 0 HA SER A 100 -3.617 11.877 14.834 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.084 9.390 15.336 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.709 9.878 15.773 1.00 0.00 H new ATOM 0 HG SER A 100 -5.549 9.253 13.545 1.00 0.00 H new ATOM 1528 N GLY A 101 -5.406 13.569 14.870 1.00 0.00 N ATOM 1529 CA GLY A 101 -6.450 14.577 14.874 1.00 0.00 C ATOM 1530 C GLY A 101 -5.917 15.965 14.578 1.00 0.00 C ATOM 1531 O GLY A 101 -4.804 16.321 14.964 1.00 0.00 O ATOM 0 H GLY A 101 -4.643 13.745 14.216 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -7.206 14.316 14.133 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.944 14.580 15.846 1.00 0.00 H new ATOM 1535 N PRO A 102 -6.723 16.775 13.876 1.00 0.00 N ATOM 1536 CA PRO A 102 -6.347 18.144 13.512 1.00 0.00 C ATOM 1537 C PRO A 102 -6.303 19.074 14.720 1.00 0.00 C ATOM 1538 O PRO A 102 -6.525 18.646 15.853 1.00 0.00 O ATOM 1539 CB PRO A 102 -7.456 18.573 12.548 1.00 0.00 C ATOM 1540 CG PRO A 102 -8.628 17.732 12.921 1.00 0.00 C ATOM 1541 CD PRO A 102 -8.063 16.417 13.383 1.00 0.00 C ATOM 0 HA PRO A 102 -5.347 18.190 13.081 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.682 19.634 12.651 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.165 18.408 11.511 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.212 18.205 13.710 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.295 17.593 12.070 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.674 15.971 14.168 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.012 15.694 12.569 1.00 0.00 H new ATOM 1549 N SER A 103 -6.014 20.347 14.471 1.00 0.00 N ATOM 1550 CA SER A 103 -5.938 21.337 15.539 1.00 0.00 C ATOM 1551 C SER A 103 -7.279 22.039 15.726 1.00 0.00 C ATOM 1552 O SER A 103 -8.212 21.835 14.950 1.00 0.00 O ATOM 1553 CB SER A 103 -4.848 22.366 15.233 1.00 0.00 C ATOM 1554 OG SER A 103 -4.392 22.994 16.419 1.00 0.00 O ATOM 0 H SER A 103 -5.829 20.717 13.539 1.00 0.00 H new ATOM 0 HA SER A 103 -5.688 20.818 16.464 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.012 21.877 14.732 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.236 23.118 14.546 1.00 0.00 H new ATOM 0 HG SER A 103 -3.695 23.646 16.197 1.00 0.00 H new ATOM 1560 N SER A 104 -7.367 22.868 16.761 1.00 0.00 N ATOM 1561 CA SER A 104 -8.594 23.599 17.053 1.00 0.00 C ATOM 1562 C SER A 104 -8.413 25.091 16.792 1.00 0.00 C ATOM 1563 O SER A 104 -7.299 25.564 16.574 1.00 0.00 O ATOM 1564 CB SER A 104 -9.015 23.372 18.507 1.00 0.00 C ATOM 1565 OG SER A 104 -9.385 22.022 18.725 1.00 0.00 O ATOM 0 H SER A 104 -6.603 23.050 17.412 1.00 0.00 H new ATOM 0 HA SER A 104 -9.376 23.224 16.393 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.194 23.640 19.173 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.851 24.026 18.753 1.00 0.00 H new ATOM 0 HG SER A 104 -9.648 21.902 19.661 1.00 0.00 H new ATOM 1571 N GLY A 105 -9.520 25.828 16.815 1.00 0.00 N ATOM 1572 CA GLY A 105 -9.463 27.259 16.579 1.00 0.00 C ATOM 1573 C GLY A 105 -9.724 27.618 15.129 1.00 0.00 C ATOM 1574 O GLY A 105 -9.906 28.789 14.796 1.00 0.00 O ATOM 0 H GLY A 105 -10.454 25.460 16.993 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.197 27.758 17.212 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.482 27.634 16.872 1.00 0.00 H new TER 1578 GLY A 105