USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1036 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 125 GLN : amide:sc= -3.1 K(o=-12,f=-16!) USER MOD Set 1.2: A 127 GLN : amide:sc= -8.51! C(o=-12!,f=-21!) USER MOD Set 2.1: A 5 GLN : amide:sc= -1.8 K(o=-4.2,f=-5.2) USER MOD Set 2.2: A 97 TYR OH : rot -14:sc= 0.558 USER MOD Set 2.3: A 114 LYS NZ :NH3+ -142:sc= -2.98 (180deg=-1.59!) USER MOD Set 3.1: A 71 ASN : amide:sc= -5.66 K(o=-7,f=-11!) USER MOD Set 3.2: A 75 ASN : amide:sc= -1.32 X(o=-7,f=-6.6) USER MOD Single : A 1 MET CE :methyl 166:sc= -1.28 (180deg=-1.98) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.0279 (180deg=-0.0268) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.597 X(o=-0.6,f=-1) USER MOD Single : A 35 GLN : amide:sc= -1.57 K(o=-1.6,f=-5.5!) USER MOD Single : A 40 HIS : no HD1:sc= -1.65 X(o=-1.6,f=-2!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0925 K(o=-0.092,f=-1.9) USER MOD Single : A 53 ASN : amide:sc= -1.63 K(o=-1.6,f=-3.9!) USER MOD Single : A 55 ASN : amide:sc= -0.596 K(o=-0.6,f=-8!) USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= -0.756 (180deg=-0.943) USER MOD Single : A 70 TYR OH : rot -58:sc= 0.746 USER MOD Single : A 72 ASN : amide:sc= -1.9 X(o=-1.9,f=-1.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.276 F(o=-1.3,f=-0.28) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -104:sc= -0.083 (180deg=-2.77!) USER MOD Single : A 89 GLN : amide:sc= -7.73! C(o=-7.7!,f=-13!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 149:sc= -3.25 (180deg=-5.85!) USER MOD Single : A 95 MET CE :methyl -161:sc= -3.26! (180deg=-4.61!) USER MOD Single : A 96 HIS : no HE2:sc= -3.38 X(o=-3.4,f=-3.9!) USER MOD Single : A 99 THR OG1 : rot -170:sc= -1.82 USER MOD Single : A 103 ASN : amide:sc= -0.342 K(o=-0.34,f=-10!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 173:sc= -1.44! (180deg=-1.6!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.708 USER MOD Single : A 118 GLN : amide:sc= -7.29 K(o=-7.3,f=-20!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.129 F(o=-0.93,f=-0.13) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.975 3.723 19.881 1.00 0.00 N ATOM 2 CA MET A 1 9.646 3.785 18.556 1.00 0.00 C ATOM 3 C MET A 1 9.950 5.225 18.158 1.00 0.00 C ATOM 4 O MET A 1 9.477 6.168 18.793 1.00 0.00 O ATOM 5 CB MET A 1 8.733 3.131 17.516 1.00 0.00 C ATOM 6 CG MET A 1 9.482 2.311 16.479 1.00 0.00 C ATOM 7 SD MET A 1 10.417 0.953 17.209 1.00 0.00 S ATOM 8 CE MET A 1 9.180 0.231 18.284 1.00 0.00 C ATOM 0 H1 MET A 1 9.474 3.044 20.491 1.00 0.00 H new ATOM 0 H2 MET A 1 8.992 4.664 20.323 1.00 0.00 H new ATOM 0 H3 MET A 1 7.989 3.417 19.757 1.00 0.00 H new ATOM 0 HA MET A 1 10.596 3.253 18.611 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.016 2.488 18.027 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.160 3.907 17.009 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.771 1.910 15.756 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.163 2.961 15.930 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.514 -0.753 18.614 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.032 0.874 19.152 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.240 0.132 17.742 1.00 0.00 H new ATOM 20 N ALA A 2 10.742 5.388 17.103 1.00 0.00 N ATOM 21 CA ALA A 2 11.108 6.714 16.619 1.00 0.00 C ATOM 22 C ALA A 2 9.871 7.533 16.263 1.00 0.00 C ATOM 23 O ALA A 2 9.897 8.763 16.308 1.00 0.00 O ATOM 24 CB ALA A 2 12.031 6.599 15.415 1.00 0.00 C ATOM 0 H ALA A 2 11.143 4.618 16.567 1.00 0.00 H new ATOM 0 HA ALA A 2 11.634 7.232 17.420 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.297 7.596 15.064 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.936 6.062 15.700 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.523 6.057 14.618 1.00 0.00 H new ATOM 30 N ASP A 3 8.790 6.840 15.907 1.00 0.00 N ATOM 31 CA ASP A 3 7.534 7.493 15.540 1.00 0.00 C ATOM 32 C ASP A 3 7.771 8.678 14.607 1.00 0.00 C ATOM 33 O ASP A 3 7.019 9.652 14.621 1.00 0.00 O ATOM 34 CB ASP A 3 6.783 7.952 16.794 1.00 0.00 C ATOM 35 CG ASP A 3 7.519 9.041 17.550 1.00 0.00 C ATOM 36 OD1 ASP A 3 7.694 10.142 16.986 1.00 0.00 O1- ATOM 37 OD2 ASP A 3 7.922 8.793 18.706 1.00 0.00 O ATOM 0 H ASP A 3 8.759 5.821 15.865 1.00 0.00 H new ATOM 0 HA ASP A 3 6.925 6.762 15.008 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.796 8.317 16.509 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.629 7.098 17.453 1.00 0.00 H new ATOM 42 N GLU A 4 8.820 8.586 13.796 1.00 0.00 N ATOM 43 CA GLU A 4 9.153 9.649 12.855 1.00 0.00 C ATOM 44 C GLU A 4 8.240 9.597 11.636 1.00 0.00 C ATOM 45 O GLU A 4 7.672 10.610 11.227 1.00 0.00 O ATOM 46 CB GLU A 4 10.615 9.534 12.419 1.00 0.00 C ATOM 47 CG GLU A 4 11.602 9.619 13.571 1.00 0.00 C ATOM 48 CD GLU A 4 12.997 9.171 13.178 1.00 0.00 C ATOM 49 OE1 GLU A 4 13.299 9.165 11.966 1.00 0.00 O ATOM 50 OE2 GLU A 4 13.786 8.827 14.082 1.00 0.00 O1- ATOM 0 H GLU A 4 9.453 7.787 13.772 1.00 0.00 H new ATOM 0 HA GLU A 4 9.007 10.606 13.357 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.757 8.586 11.899 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.835 10.326 11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.643 10.646 13.934 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.245 9.003 14.396 1.00 0.00 H new ATOM 57 N GLN A 5 8.102 8.407 11.061 1.00 0.00 N ATOM 58 CA GLN A 5 7.256 8.216 9.889 1.00 0.00 C ATOM 59 C GLN A 5 5.777 8.260 10.270 1.00 0.00 C ATOM 60 O GLN A 5 5.017 9.071 9.740 1.00 0.00 O ATOM 61 CB GLN A 5 7.584 6.884 9.209 1.00 0.00 C ATOM 62 CG GLN A 5 7.922 7.022 7.734 1.00 0.00 C ATOM 63 CD GLN A 5 6.844 7.749 6.955 1.00 0.00 C ATOM 64 OE1 GLN A 5 5.652 7.503 7.143 1.00 0.00 O ATOM 65 NE2 GLN A 5 7.257 8.651 6.072 1.00 0.00 N ATOM 0 H GLN A 5 8.566 7.560 11.388 1.00 0.00 H new ATOM 0 HA GLN A 5 7.455 9.030 9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 5 8.425 6.420 9.724 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.733 6.211 9.317 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.865 7.559 7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.070 6.031 7.305 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.255 8.824 5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.577 9.171 5.518 1.00 0.00 H new ATOM 74 N PRO A 6 5.347 7.386 11.198 1.00 0.00 N ATOM 75 CA PRO A 6 3.952 7.333 11.643 1.00 0.00 C ATOM 76 C PRO A 6 3.594 8.492 12.566 1.00 0.00 C ATOM 77 O PRO A 6 4.464 9.253 12.989 1.00 0.00 O ATOM 78 CB PRO A 6 3.875 6.005 12.395 1.00 0.00 C ATOM 79 CG PRO A 6 5.256 5.779 12.904 1.00 0.00 C ATOM 80 CD PRO A 6 6.185 6.381 11.883 1.00 0.00 C ATOM 0 HA PRO A 6 3.253 7.409 10.810 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.155 6.053 13.212 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.558 5.195 11.738 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.393 6.247 13.879 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.455 4.715 13.031 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.055 6.839 12.354 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.557 5.629 11.188 1.00 0.00 H new ATOM 88 N LYS A 7 2.307 8.620 12.874 1.00 0.00 N ATOM 89 CA LYS A 7 1.833 9.688 13.748 1.00 0.00 C ATOM 90 C LYS A 7 2.143 11.057 13.151 1.00 0.00 C ATOM 91 O LYS A 7 3.081 11.732 13.574 1.00 0.00 O ATOM 92 CB LYS A 7 2.473 9.564 15.132 1.00 0.00 C ATOM 93 CG LYS A 7 1.711 10.299 16.223 1.00 0.00 C ATOM 94 CD LYS A 7 2.091 11.770 16.273 1.00 0.00 C ATOM 95 CE LYS A 7 1.410 12.482 17.431 1.00 0.00 C ATOM 96 NZ LYS A 7 2.293 12.570 18.626 1.00 0.00 N1+ ATOM 0 H LYS A 7 1.574 7.998 12.532 1.00 0.00 H new ATOM 0 HA LYS A 7 0.752 9.591 13.846 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.544 8.509 15.397 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.491 9.950 15.088 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.639 10.205 16.047 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.917 9.836 17.188 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.172 11.864 16.372 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.813 12.251 15.335 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.120 13.485 17.120 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.494 11.953 17.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.791 13.062 19.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.550 11.612 18.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.156 13.097 18.382 1.00 0.00 H new ATOM 110 N LYS A 8 1.348 11.460 12.166 1.00 0.00 N ATOM 111 CA LYS A 8 1.536 12.749 11.510 1.00 0.00 C ATOM 112 C LYS A 8 0.445 12.993 10.468 1.00 0.00 C ATOM 113 O LYS A 8 -0.287 12.076 10.098 1.00 0.00 O ATOM 114 CB LYS A 8 2.916 12.812 10.850 1.00 0.00 C ATOM 115 CG LYS A 8 3.922 13.649 11.623 1.00 0.00 C ATOM 116 CD LYS A 8 5.315 13.044 11.563 1.00 0.00 C ATOM 117 CE LYS A 8 6.091 13.552 10.359 1.00 0.00 C ATOM 118 NZ LYS A 8 5.922 12.666 9.174 1.00 0.00 N1+ ATOM 0 H LYS A 8 0.567 10.913 11.804 1.00 0.00 H new ATOM 0 HA LYS A 8 1.469 13.530 12.268 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.305 11.799 10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.811 13.221 9.845 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.945 14.660 11.215 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.605 13.732 12.663 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.858 13.287 12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.239 11.958 11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.756 14.559 10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.149 13.622 10.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.467 13.048 8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.265 11.711 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.916 12.620 8.916 1.00 0.00 H new ATOM 132 N PRO A 9 0.325 14.240 9.980 1.00 0.00 N ATOM 133 CA PRO A 9 -0.682 14.600 8.976 1.00 0.00 C ATOM 134 C PRO A 9 -0.395 13.970 7.617 1.00 0.00 C ATOM 135 O PRO A 9 0.717 13.510 7.358 1.00 0.00 O ATOM 136 CB PRO A 9 -0.575 16.124 8.892 1.00 0.00 C ATOM 137 CG PRO A 9 0.813 16.432 9.335 1.00 0.00 C ATOM 138 CD PRO A 9 1.158 15.394 10.366 1.00 0.00 C ATOM 0 HA PRO A 9 -1.675 14.245 9.251 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.754 16.478 7.877 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.312 16.608 9.533 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.508 16.395 8.496 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.875 17.436 9.756 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.220 15.147 10.348 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.927 15.737 11.375 1.00 0.00 H new ATOM 146 N VAL A 10 -1.404 13.952 6.753 1.00 0.00 N ATOM 147 CA VAL A 10 -1.259 13.378 5.421 1.00 0.00 C ATOM 148 C VAL A 10 -1.880 14.287 4.360 1.00 0.00 C ATOM 149 O VAL A 10 -2.760 15.094 4.660 1.00 0.00 O ATOM 150 CB VAL A 10 -1.901 11.976 5.342 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.456 11.119 6.516 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.419 12.073 5.293 1.00 0.00 C ATOM 0 H VAL A 10 -2.331 14.328 6.951 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.191 13.285 5.225 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.565 11.501 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.918 10.135 6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.371 11.013 6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.759 11.594 7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.846 11.072 5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.781 12.573 6.192 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.719 12.644 4.415 1.00 0.00 H new ATOM 162 N PRO A 11 -1.427 14.166 3.101 1.00 0.00 N ATOM 163 CA PRO A 11 -1.940 14.978 1.995 1.00 0.00 C ATOM 164 C PRO A 11 -3.329 14.535 1.546 1.00 0.00 C ATOM 165 O PRO A 11 -3.987 13.744 2.221 1.00 0.00 O ATOM 166 CB PRO A 11 -0.918 14.743 0.884 1.00 0.00 C ATOM 167 CG PRO A 11 -0.369 13.386 1.161 1.00 0.00 C ATOM 168 CD PRO A 11 -0.379 13.227 2.658 1.00 0.00 C ATOM 0 HA PRO A 11 -2.054 16.025 2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.384 14.789 -0.100 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.133 15.499 0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.975 12.616 0.684 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.642 13.287 0.766 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.609 12.203 2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.589 13.473 3.094 1.00 0.00 H new ATOM 176 N ALA A 12 -3.768 15.050 0.402 1.00 0.00 N ATOM 177 CA ALA A 12 -5.078 14.706 -0.138 1.00 0.00 C ATOM 178 C ALA A 12 -4.971 14.249 -1.589 1.00 0.00 C ATOM 179 O ALA A 12 -4.518 14.998 -2.454 1.00 0.00 O ATOM 180 CB ALA A 12 -6.022 15.894 -0.025 1.00 0.00 C ATOM 0 H ALA A 12 -3.236 15.707 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.480 13.879 0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.997 15.624 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.131 16.174 1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.616 16.736 -0.585 1.00 0.00 H new ATOM 186 N ALA A 13 -5.391 13.015 -1.847 1.00 0.00 N ATOM 187 CA ALA A 13 -5.342 12.458 -3.194 1.00 0.00 C ATOM 188 C ALA A 13 -6.197 11.200 -3.299 1.00 0.00 C ATOM 189 O ALA A 13 -6.367 10.470 -2.323 1.00 0.00 O ATOM 190 CB ALA A 13 -3.904 12.155 -3.587 1.00 0.00 C ATOM 0 H ALA A 13 -5.769 12.382 -1.142 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.747 13.200 -3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.882 11.740 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.318 13.074 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.480 11.434 -2.888 1.00 0.00 H new ATOM 196 N GLU A 14 -6.734 10.953 -4.489 1.00 0.00 N ATOM 197 CA GLU A 14 -7.572 9.783 -4.723 1.00 0.00 C ATOM 198 C GLU A 14 -7.992 9.697 -6.186 1.00 0.00 C ATOM 199 O GLU A 14 -8.877 10.427 -6.632 1.00 0.00 O ATOM 200 CB GLU A 14 -8.811 9.830 -3.826 1.00 0.00 C ATOM 201 CG GLU A 14 -9.351 8.457 -3.463 1.00 0.00 C ATOM 202 CD GLU A 14 -10.842 8.470 -3.190 1.00 0.00 C ATOM 203 OE1 GLU A 14 -11.357 9.522 -2.756 1.00 0.00 O ATOM 204 OE2 GLU A 14 -11.496 7.429 -3.412 1.00 0.00 O1- ATOM 0 H GLU A 14 -6.604 11.548 -5.307 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.989 8.895 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.566 10.369 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.593 10.397 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.140 7.761 -4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.827 8.086 -2.582 1.00 0.00 H new ATOM 211 N GLU A 15 -7.351 8.801 -6.929 1.00 0.00 N ATOM 212 CA GLU A 15 -7.658 8.620 -8.343 1.00 0.00 C ATOM 213 C GLU A 15 -6.842 7.476 -8.936 1.00 0.00 C ATOM 214 O GLU A 15 -6.038 6.851 -8.244 1.00 0.00 O ATOM 215 CB GLU A 15 -7.383 9.912 -9.116 1.00 0.00 C ATOM 216 CG GLU A 15 -6.042 10.545 -8.784 1.00 0.00 C ATOM 217 CD GLU A 15 -5.505 11.399 -9.916 1.00 0.00 C ATOM 218 OE1 GLU A 15 -5.826 12.606 -9.953 1.00 0.00 O ATOM 219 OE2 GLU A 15 -4.762 10.862 -10.764 1.00 0.00 O1- ATOM 0 H GLU A 15 -6.616 8.189 -6.575 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.716 8.371 -8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.421 9.701 -10.185 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.176 10.629 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.145 11.158 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.322 9.761 -8.552 1.00 0.00 H new ATOM 226 N ALA A 16 -7.054 7.208 -10.220 1.00 0.00 N ATOM 227 CA ALA A 16 -6.338 6.140 -10.906 1.00 0.00 C ATOM 228 C ALA A 16 -5.754 6.630 -12.228 1.00 0.00 C ATOM 229 O ALA A 16 -6.150 7.677 -12.741 1.00 0.00 O ATOM 230 CB ALA A 16 -7.261 4.954 -11.142 1.00 0.00 C ATOM 0 H ALA A 16 -7.716 7.716 -10.806 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.512 5.823 -10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.714 4.163 -11.655 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.626 4.581 -10.185 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.106 5.267 -11.755 1.00 0.00 H new ATOM 236 N PRO A 17 -4.799 5.876 -12.801 1.00 0.00 N ATOM 237 CA PRO A 17 -4.161 6.240 -14.070 1.00 0.00 C ATOM 238 C PRO A 17 -5.111 6.104 -15.255 1.00 0.00 C ATOM 239 O PRO A 17 -6.253 5.670 -15.102 1.00 0.00 O ATOM 240 CB PRO A 17 -3.010 5.239 -14.190 1.00 0.00 C ATOM 241 CG PRO A 17 -3.449 4.061 -13.390 1.00 0.00 C ATOM 242 CD PRO A 17 -4.269 4.612 -12.257 1.00 0.00 C ATOM 0 HA PRO A 17 -3.840 7.282 -14.080 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.829 4.966 -15.230 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.080 5.656 -13.803 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.036 3.373 -13.998 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.591 3.502 -13.015 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.070 3.930 -11.972 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.663 4.781 -11.367 1.00 0.00 H new ATOM 250 N ALA A 18 -4.632 6.477 -16.437 1.00 0.00 N ATOM 251 CA ALA A 18 -5.438 6.397 -17.649 1.00 0.00 C ATOM 252 C ALA A 18 -5.219 5.070 -18.367 1.00 0.00 C ATOM 253 O ALA A 18 -6.166 4.449 -18.849 1.00 0.00 O ATOM 254 CB ALA A 18 -5.116 7.560 -18.574 1.00 0.00 C ATOM 0 H ALA A 18 -3.689 6.838 -16.581 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.488 6.456 -17.362 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.725 7.488 -19.475 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.331 8.500 -18.065 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.061 7.527 -18.846 1.00 0.00 H new ATOM 260 N ALA A 19 -3.962 4.641 -18.436 1.00 0.00 N ATOM 261 CA ALA A 19 -3.618 3.388 -19.096 1.00 0.00 C ATOM 262 C ALA A 19 -4.028 3.410 -20.564 1.00 0.00 C ATOM 263 O ALA A 19 -5.058 2.851 -20.940 1.00 0.00 O ATOM 264 CB ALA A 19 -4.276 2.217 -18.380 1.00 0.00 C ATOM 0 H ALA A 19 -3.166 5.143 -18.043 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.536 3.267 -19.050 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.011 1.287 -18.883 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.930 2.182 -17.347 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.359 2.342 -18.396 1.00 0.00 H new ATOM 270 N GLU A 20 -3.214 4.059 -21.390 1.00 0.00 N ATOM 271 CA GLU A 20 -3.492 4.155 -22.819 1.00 0.00 C ATOM 272 C GLU A 20 -2.744 3.073 -23.592 1.00 0.00 C ATOM 273 O GLU A 20 -3.220 2.589 -24.619 1.00 0.00 O ATOM 274 CB GLU A 20 -3.100 5.537 -23.345 1.00 0.00 C ATOM 275 CG GLU A 20 -1.651 5.903 -23.073 1.00 0.00 C ATOM 276 CD GLU A 20 -1.039 6.729 -24.187 1.00 0.00 C ATOM 277 OE1 GLU A 20 -1.219 6.361 -25.367 1.00 0.00 O ATOM 278 OE2 GLU A 20 -0.380 7.745 -23.880 1.00 0.00 O1- ATOM 0 H GLU A 20 -2.357 4.526 -21.095 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.562 4.008 -22.966 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.279 5.572 -24.420 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.747 6.287 -22.890 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.590 6.459 -22.138 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.069 4.991 -22.940 1.00 0.00 H new ATOM 285 N ALA A 21 -1.572 2.699 -23.091 1.00 0.00 N ATOM 286 CA ALA A 21 -0.758 1.674 -23.734 1.00 0.00 C ATOM 287 C ALA A 21 -0.820 0.360 -22.963 1.00 0.00 C ATOM 288 O ALA A 21 -0.923 0.352 -21.737 1.00 0.00 O ATOM 289 CB ALA A 21 0.682 2.147 -23.860 1.00 0.00 C ATOM 0 H ALA A 21 -1.164 3.090 -22.242 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.160 1.498 -24.732 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.279 1.372 -24.342 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.715 3.056 -24.460 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.086 2.352 -22.868 1.00 0.00 H new ATOM 295 N GLU A 22 -0.756 -0.750 -23.691 1.00 0.00 N ATOM 296 CA GLU A 22 -0.805 -2.071 -23.075 1.00 0.00 C ATOM 297 C GLU A 22 0.576 -2.495 -22.586 1.00 0.00 C ATOM 298 O GLU A 22 1.582 -2.255 -23.253 1.00 0.00 O ATOM 299 CB GLU A 22 -1.345 -3.101 -24.070 1.00 0.00 C ATOM 300 CG GLU A 22 -1.854 -4.373 -23.412 1.00 0.00 C ATOM 301 CD GLU A 22 -3.365 -4.398 -23.285 1.00 0.00 C ATOM 302 OE1 GLU A 22 -3.964 -3.316 -23.115 1.00 0.00 O ATOM 303 OE2 GLU A 22 -3.948 -5.500 -23.355 1.00 0.00 O1- ATOM 0 H GLU A 22 -0.670 -0.761 -24.707 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.475 -2.019 -22.216 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.154 -2.650 -24.644 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.557 -3.358 -24.778 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.527 -5.235 -23.994 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.408 -4.469 -22.422 1.00 0.00 H new ATOM 310 N ALA A 23 0.616 -3.126 -21.417 1.00 0.00 N ATOM 311 CA ALA A 23 1.874 -3.583 -20.839 1.00 0.00 C ATOM 312 C ALA A 23 1.667 -4.839 -19.998 1.00 0.00 C ATOM 313 O ALA A 23 0.539 -5.185 -19.648 1.00 0.00 O ATOM 314 CB ALA A 23 2.499 -2.481 -19.998 1.00 0.00 C ATOM 0 H ALA A 23 -0.208 -3.332 -20.852 1.00 0.00 H new ATOM 0 HA ALA A 23 2.552 -3.831 -21.656 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.438 -2.836 -19.573 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.691 -1.610 -20.624 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.817 -2.206 -19.193 1.00 0.00 H new ATOM 320 N GLU A 24 2.764 -5.518 -19.678 1.00 0.00 N ATOM 321 CA GLU A 24 2.703 -6.736 -18.878 1.00 0.00 C ATOM 322 C GLU A 24 2.468 -6.409 -17.407 1.00 0.00 C ATOM 323 O GLU A 24 2.435 -5.242 -17.018 1.00 0.00 O ATOM 324 CB GLU A 24 3.995 -7.539 -19.035 1.00 0.00 C ATOM 325 CG GLU A 24 3.781 -9.044 -19.025 1.00 0.00 C ATOM 326 CD GLU A 24 4.822 -9.786 -19.840 1.00 0.00 C ATOM 327 OE1 GLU A 24 5.022 -9.423 -21.019 1.00 0.00 O ATOM 328 OE2 GLU A 24 5.437 -10.729 -19.300 1.00 0.00 O1- ATOM 0 H GLU A 24 3.706 -5.246 -19.960 1.00 0.00 H new ATOM 0 HA GLU A 24 1.866 -7.335 -19.236 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.478 -7.255 -19.970 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.679 -7.272 -18.229 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.806 -9.404 -17.996 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.789 -9.269 -19.418 1.00 0.00 H new ATOM 335 N GLU A 25 2.306 -7.448 -16.594 1.00 0.00 N ATOM 336 CA GLU A 25 2.075 -7.272 -15.165 1.00 0.00 C ATOM 337 C GLU A 25 2.075 -8.615 -14.444 1.00 0.00 C ATOM 338 O GLU A 25 1.746 -9.646 -15.031 1.00 0.00 O ATOM 339 CB GLU A 25 0.746 -6.552 -14.928 1.00 0.00 C ATOM 340 CG GLU A 25 -0.426 -7.182 -15.662 1.00 0.00 C ATOM 341 CD GLU A 25 -1.765 -6.784 -15.072 1.00 0.00 C ATOM 342 OE1 GLU A 25 -1.958 -6.978 -13.853 1.00 0.00 O ATOM 343 OE2 GLU A 25 -2.620 -6.277 -15.828 1.00 0.00 O1- ATOM 0 H GLU A 25 2.330 -8.421 -16.901 1.00 0.00 H new ATOM 0 HA GLU A 25 2.886 -6.665 -14.763 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.532 -6.543 -13.859 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.844 -5.513 -15.242 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.393 -6.888 -16.711 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.328 -8.267 -15.632 1.00 0.00 H new ATOM 350 N GLU A 26 2.446 -8.597 -13.168 1.00 0.00 N ATOM 351 CA GLU A 26 2.489 -9.814 -12.366 1.00 0.00 C ATOM 352 C GLU A 26 1.319 -9.863 -11.389 1.00 0.00 C ATOM 353 O GLU A 26 1.293 -9.130 -10.400 1.00 0.00 O ATOM 354 CB GLU A 26 3.811 -9.900 -11.602 1.00 0.00 C ATOM 355 CG GLU A 26 5.030 -10.000 -12.505 1.00 0.00 C ATOM 356 CD GLU A 26 5.010 -11.241 -13.376 1.00 0.00 C ATOM 357 OE1 GLU A 26 5.077 -12.358 -12.820 1.00 0.00 O1- ATOM 358 OE2 GLU A 26 4.928 -11.097 -14.614 1.00 0.00 O ATOM 0 H GLU A 26 2.721 -7.752 -12.667 1.00 0.00 H new ATOM 0 HA GLU A 26 2.412 -10.667 -13.040 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.911 -9.020 -10.966 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.785 -10.768 -10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.081 -9.116 -13.140 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.932 -10.005 -11.893 1.00 0.00 H new ATOM 365 N GLU A 27 0.353 -10.731 -11.672 1.00 0.00 N ATOM 366 CA GLU A 27 -0.819 -10.875 -10.818 1.00 0.00 C ATOM 367 C GLU A 27 -1.429 -12.266 -10.961 1.00 0.00 C ATOM 368 O GLU A 27 -0.886 -13.124 -11.657 1.00 0.00 O ATOM 369 CB GLU A 27 -1.862 -9.810 -11.162 1.00 0.00 C ATOM 370 CG GLU A 27 -2.392 -9.915 -12.583 1.00 0.00 C ATOM 371 CD GLU A 27 -3.884 -9.658 -12.669 1.00 0.00 C ATOM 372 OE1 GLU A 27 -4.305 -8.514 -12.395 1.00 0.00 O1- ATOM 373 OE2 GLU A 27 -4.630 -10.599 -13.010 1.00 0.00 O ATOM 0 H GLU A 27 0.359 -11.345 -12.486 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.502 -10.741 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.696 -9.891 -10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.422 -8.823 -11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.867 -9.200 -13.217 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.175 -10.908 -12.975 1.00 0.00 H new ATOM 380 N GLY A 28 -2.561 -12.481 -10.298 1.00 0.00 N ATOM 381 CA GLY A 28 -3.226 -13.769 -10.366 1.00 0.00 C ATOM 382 C GLY A 28 -4.596 -13.750 -9.718 1.00 0.00 C ATOM 383 O GLY A 28 -5.579 -14.189 -10.315 1.00 0.00 O ATOM 0 H GLY A 28 -3.029 -11.787 -9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.325 -14.068 -11.409 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.606 -14.520 -9.876 1.00 0.00 H new ATOM 387 N LEU A 29 -4.662 -13.239 -8.493 1.00 0.00 N ATOM 388 CA LEU A 29 -5.922 -13.163 -7.763 1.00 0.00 C ATOM 389 C LEU A 29 -6.036 -11.842 -7.009 1.00 0.00 C ATOM 390 O LEU A 29 -5.032 -11.266 -6.591 1.00 0.00 O ATOM 391 CB LEU A 29 -6.040 -14.334 -6.785 1.00 0.00 C ATOM 392 CG LEU A 29 -4.955 -14.389 -5.708 1.00 0.00 C ATOM 393 CD1 LEU A 29 -5.369 -13.577 -4.491 1.00 0.00 C ATOM 394 CD2 LEU A 29 -4.667 -15.831 -5.316 1.00 0.00 C ATOM 0 H LEU A 29 -3.858 -12.871 -7.985 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.736 -13.219 -8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.013 -14.283 -6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.016 -15.265 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.042 -13.954 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.585 -13.628 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.525 -12.538 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.294 -13.982 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.893 -15.852 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.576 -16.291 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.326 -16.385 -6.191 1.00 0.00 H new ATOM 406 N HIS A 30 -7.266 -11.368 -6.838 1.00 0.00 N ATOM 407 CA HIS A 30 -7.511 -10.115 -6.135 1.00 0.00 C ATOM 408 C HIS A 30 -9.007 -9.862 -5.978 1.00 0.00 C ATOM 409 O HIS A 30 -9.811 -10.311 -6.795 1.00 0.00 O ATOM 410 CB HIS A 30 -6.861 -8.950 -6.883 1.00 0.00 C ATOM 411 CG HIS A 30 -7.258 -8.868 -8.324 1.00 0.00 C ATOM 412 ND1 HIS A 30 -6.740 -9.698 -9.296 1.00 0.00 N ATOM 413 CD2 HIS A 30 -8.131 -8.049 -8.958 1.00 0.00 C ATOM 414 CE1 HIS A 30 -7.276 -9.391 -10.465 1.00 0.00 C ATOM 415 NE2 HIS A 30 -8.123 -8.395 -10.286 1.00 0.00 N ATOM 0 H HIS A 30 -8.108 -11.833 -7.177 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.068 -10.193 -5.142 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.128 -8.017 -6.387 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.777 -9.047 -6.818 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -8.723 -7.269 -8.503 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.058 -9.873 -11.406 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.681 -7.954 -11.017 1.00 0.00 H new ATOM 424 N LEU A 31 -9.373 -9.142 -4.923 1.00 0.00 N ATOM 425 CA LEU A 31 -10.773 -8.829 -4.660 1.00 0.00 C ATOM 426 C LEU A 31 -11.300 -7.807 -5.662 1.00 0.00 C ATOM 427 O LEU A 31 -10.641 -7.500 -6.655 1.00 0.00 O ATOM 428 CB LEU A 31 -10.939 -8.299 -3.234 1.00 0.00 C ATOM 429 CG LEU A 31 -12.181 -8.801 -2.496 1.00 0.00 C ATOM 430 CD1 LEU A 31 -11.871 -10.084 -1.741 1.00 0.00 C ATOM 431 CD2 LEU A 31 -12.705 -7.734 -1.547 1.00 0.00 C ATOM 0 H LEU A 31 -8.720 -8.764 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.352 -9.746 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.056 -8.573 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.972 -7.210 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.956 -9.016 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.766 -10.426 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.544 -10.850 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.080 -9.897 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.589 -8.109 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.935 -7.487 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.967 -6.840 -2.113 1.00 0.00 H new ATOM 443 N GLU A 32 -12.492 -7.283 -5.395 1.00 0.00 N ATOM 444 CA GLU A 32 -13.107 -6.295 -6.273 1.00 0.00 C ATOM 445 C GLU A 32 -14.204 -5.526 -5.544 1.00 0.00 C ATOM 446 O GLU A 32 -14.965 -6.100 -4.764 1.00 0.00 O ATOM 447 CB GLU A 32 -13.685 -6.976 -7.515 1.00 0.00 C ATOM 448 CG GLU A 32 -12.675 -7.152 -8.638 1.00 0.00 C ATOM 449 CD GLU A 32 -12.133 -8.565 -8.717 1.00 0.00 C ATOM 450 OE1 GLU A 32 -12.913 -9.514 -8.492 1.00 0.00 O1- ATOM 451 OE2 GLU A 32 -10.928 -8.724 -9.004 1.00 0.00 O ATOM 0 H GLU A 32 -13.051 -7.526 -4.577 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.336 -5.588 -6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -14.077 -7.953 -7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.526 -6.389 -7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.144 -6.893 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.848 -6.457 -8.491 1.00 0.00 H new ATOM 458 N ASP A 33 -14.280 -4.225 -5.802 1.00 0.00 N ATOM 459 CA ASP A 33 -15.284 -3.377 -5.171 1.00 0.00 C ATOM 460 C ASP A 33 -15.310 -1.994 -5.812 1.00 0.00 C ATOM 461 O ASP A 33 -16.291 -1.613 -6.451 1.00 0.00 O ATOM 462 CB ASP A 33 -15.006 -3.252 -3.672 1.00 0.00 C ATOM 463 CG ASP A 33 -16.267 -2.994 -2.869 1.00 0.00 C ATOM 464 OD1 ASP A 33 -16.778 -1.856 -2.917 1.00 0.00 O ATOM 465 OD2 ASP A 33 -16.742 -3.931 -2.194 1.00 0.00 O1- ATOM 0 H ASP A 33 -13.658 -3.735 -6.444 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.259 -3.842 -5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.533 -4.167 -3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.299 -2.440 -3.503 1.00 0.00 H new ATOM 470 N ASP A 34 -14.226 -1.246 -5.637 1.00 0.00 N ATOM 471 CA ASP A 34 -14.124 0.096 -6.199 1.00 0.00 C ATOM 472 C ASP A 34 -12.672 0.449 -6.505 1.00 0.00 C ATOM 473 O ASP A 34 -12.029 1.182 -5.754 1.00 0.00 O ATOM 474 CB ASP A 34 -14.719 1.122 -5.234 1.00 0.00 C ATOM 475 CG ASP A 34 -15.363 2.290 -5.956 1.00 0.00 C ATOM 476 OD1 ASP A 34 -14.623 3.184 -6.417 1.00 0.00 O1- ATOM 477 OD2 ASP A 34 -16.607 2.310 -6.059 1.00 0.00 O ATOM 0 H ASP A 34 -13.406 -1.546 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.688 0.116 -7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.462 0.635 -4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.935 1.494 -4.575 1.00 0.00 H new ATOM 482 N GLN A 35 -12.161 -0.078 -7.613 1.00 0.00 N ATOM 483 CA GLN A 35 -10.784 0.182 -8.019 1.00 0.00 C ATOM 484 C GLN A 35 -9.803 -0.299 -6.953 1.00 0.00 C ATOM 485 O GLN A 35 -9.250 0.501 -6.198 1.00 0.00 O ATOM 486 CB GLN A 35 -10.581 1.675 -8.280 1.00 0.00 C ATOM 487 CG GLN A 35 -10.965 2.104 -9.687 1.00 0.00 C ATOM 488 CD GLN A 35 -10.245 1.307 -10.757 1.00 0.00 C ATOM 489 OE1 GLN A 35 -9.149 1.669 -11.185 1.00 0.00 O ATOM 490 NE2 GLN A 35 -10.859 0.214 -11.195 1.00 0.00 N ATOM 0 H GLN A 35 -12.679 -0.687 -8.246 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.592 -0.370 -8.939 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.171 2.244 -7.562 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.535 1.927 -8.105 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.041 1.990 -9.817 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.739 3.163 -9.814 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.767 -0.049 -10.812 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.422 -0.363 -11.914 1.00 0.00 H new ATOM 499 N GLU A 36 -9.592 -1.610 -6.899 1.00 0.00 N ATOM 500 CA GLU A 36 -8.678 -2.197 -5.927 1.00 0.00 C ATOM 501 C GLU A 36 -9.121 -1.879 -4.500 1.00 0.00 C ATOM 502 O GLU A 36 -8.687 -0.887 -3.914 1.00 0.00 O ATOM 503 CB GLU A 36 -7.256 -1.684 -6.158 1.00 0.00 C ATOM 504 CG GLU A 36 -6.610 -2.229 -7.421 1.00 0.00 C ATOM 505 CD GLU A 36 -7.293 -1.740 -8.683 1.00 0.00 C ATOM 506 OE1 GLU A 36 -7.712 -0.564 -8.713 1.00 0.00 O ATOM 507 OE2 GLU A 36 -7.408 -2.533 -9.641 1.00 0.00 O1- ATOM 0 H GLU A 36 -10.042 -2.286 -7.517 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.693 -3.279 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.276 -0.595 -6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.639 -1.951 -5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.560 -1.936 -7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.636 -3.318 -7.397 1.00 0.00 H new ATOM 514 N PRO A 37 -9.995 -2.720 -3.922 1.00 0.00 N ATOM 515 CA PRO A 37 -10.496 -2.523 -2.557 1.00 0.00 C ATOM 516 C PRO A 37 -9.368 -2.333 -1.548 1.00 0.00 C ATOM 517 O PRO A 37 -8.194 -2.291 -1.915 1.00 0.00 O ATOM 518 CB PRO A 37 -11.259 -3.817 -2.267 1.00 0.00 C ATOM 519 CG PRO A 37 -11.663 -4.327 -3.607 1.00 0.00 C ATOM 520 CD PRO A 37 -10.563 -3.928 -4.551 1.00 0.00 C ATOM 0 HA PRO A 37 -11.108 -1.625 -2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.632 -4.537 -1.742 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.128 -3.631 -1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.790 -5.410 -3.591 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.617 -3.899 -3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.817 -4.716 -4.655 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.947 -3.719 -5.550 1.00 0.00 H new ATOM 528 N ARG A 38 -9.733 -2.218 -0.275 1.00 0.00 N ATOM 529 CA ARG A 38 -8.752 -2.032 0.788 1.00 0.00 C ATOM 530 C ARG A 38 -8.904 -3.105 1.862 1.00 0.00 C ATOM 531 O ARG A 38 -9.726 -4.012 1.735 1.00 0.00 O ATOM 532 CB ARG A 38 -8.903 -0.644 1.412 1.00 0.00 C ATOM 533 CG ARG A 38 -10.284 -0.383 1.989 1.00 0.00 C ATOM 534 CD ARG A 38 -10.319 -0.637 3.488 1.00 0.00 C ATOM 535 NE ARG A 38 -11.579 -1.243 3.911 1.00 0.00 N ATOM 536 CZ ARG A 38 -12.751 -0.614 3.883 1.00 0.00 C ATOM 537 NH1 ARG A 38 -12.829 0.639 3.452 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -13.849 -1.239 4.286 1.00 0.00 N ATOM 0 H ARG A 38 -10.701 -2.250 0.045 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.757 -2.120 0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.161 -0.527 2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.686 0.111 0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.575 0.648 1.787 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.014 -1.023 1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.492 -1.291 3.764 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.173 0.304 4.019 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.559 -2.206 4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.988 1.124 3.140 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.730 1.116 3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.795 -2.202 4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.747 -0.757 4.264 1.00 0.00 H new ATOM 552 N GLU A 39 -8.105 -2.993 2.919 1.00 0.00 N ATOM 553 CA GLU A 39 -8.151 -3.954 4.015 1.00 0.00 C ATOM 554 C GLU A 39 -8.288 -3.241 5.357 1.00 0.00 C ATOM 555 O GLU A 39 -7.740 -2.157 5.555 1.00 0.00 O ATOM 556 CB GLU A 39 -6.892 -4.822 4.013 1.00 0.00 C ATOM 557 CG GLU A 39 -6.924 -5.944 5.038 1.00 0.00 C ATOM 558 CD GLU A 39 -5.595 -6.125 5.746 1.00 0.00 C ATOM 559 OE1 GLU A 39 -4.563 -6.238 5.052 1.00 0.00 O1- ATOM 560 OE2 GLU A 39 -5.587 -6.154 6.995 1.00 0.00 O ATOM 0 H GLU A 39 -7.419 -2.248 3.039 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.024 -4.591 3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.759 -5.252 3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.025 -4.190 4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.699 -5.735 5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.198 -6.876 4.543 1.00 0.00 H new ATOM 567 N HIS A 40 -9.024 -3.858 6.276 1.00 0.00 N ATOM 568 CA HIS A 40 -9.234 -3.283 7.600 1.00 0.00 C ATOM 569 C HIS A 40 -8.433 -4.041 8.656 1.00 0.00 C ATOM 570 O HIS A 40 -8.939 -4.975 9.278 1.00 0.00 O ATOM 571 CB HIS A 40 -10.721 -3.304 7.958 1.00 0.00 C ATOM 572 CG HIS A 40 -11.324 -4.674 7.928 1.00 0.00 C ATOM 573 ND1 HIS A 40 -11.562 -5.417 9.065 1.00 0.00 N ATOM 574 CD2 HIS A 40 -11.740 -5.436 6.889 1.00 0.00 C ATOM 575 CE1 HIS A 40 -12.096 -6.577 8.727 1.00 0.00 C ATOM 576 NE2 HIS A 40 -12.216 -6.613 7.413 1.00 0.00 N ATOM 0 H HIS A 40 -9.485 -4.756 6.128 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.887 -2.250 7.579 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.853 -2.880 8.953 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.263 -2.662 7.263 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.704 -5.168 5.843 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.385 -7.362 9.410 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.600 -7.389 6.874 1.00 0.00 H new ATOM 585 N PRO A 41 -7.167 -3.646 8.873 1.00 0.00 N ATOM 586 CA PRO A 41 -6.296 -4.293 9.860 1.00 0.00 C ATOM 587 C PRO A 41 -6.729 -4.003 11.293 1.00 0.00 C ATOM 588 O PRO A 41 -7.815 -3.473 11.529 1.00 0.00 O ATOM 589 CB PRO A 41 -4.923 -3.678 9.582 1.00 0.00 C ATOM 590 CG PRO A 41 -5.220 -2.354 8.967 1.00 0.00 C ATOM 591 CD PRO A 41 -6.485 -2.539 8.175 1.00 0.00 C ATOM 0 HA PRO A 41 -6.317 -5.379 9.770 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.345 -3.568 10.500 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.337 -4.305 8.910 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.347 -1.588 9.732 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.401 -2.030 8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.092 -1.633 8.169 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.275 -2.789 7.135 1.00 0.00 H new ATOM 599 N ILE A 42 -5.873 -4.354 12.247 1.00 0.00 N ATOM 600 CA ILE A 42 -6.167 -4.131 13.658 1.00 0.00 C ATOM 601 C ILE A 42 -5.196 -3.124 14.269 1.00 0.00 C ATOM 602 O ILE A 42 -4.102 -2.908 13.748 1.00 0.00 O ATOM 603 CB ILE A 42 -6.106 -5.448 14.459 1.00 0.00 C ATOM 604 CG1 ILE A 42 -6.542 -5.213 15.907 1.00 0.00 C ATOM 605 CG2 ILE A 42 -4.704 -6.037 14.411 1.00 0.00 C ATOM 606 CD1 ILE A 42 -6.718 -6.491 16.699 1.00 0.00 C ATOM 0 H ILE A 42 -4.970 -4.794 12.069 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.179 -3.731 13.713 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.793 -6.162 14.004 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.802 -4.586 16.404 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.482 -4.660 15.910 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.680 -6.966 14.981 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.430 -6.240 13.376 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.997 -5.328 14.842 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.028 -6.249 17.716 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.480 -7.111 16.225 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.774 -7.035 16.727 1.00 0.00 H new ATOM 618 N MET A 43 -5.605 -2.512 15.375 1.00 0.00 N ATOM 619 CA MET A 43 -4.772 -1.528 16.058 1.00 0.00 C ATOM 620 C MET A 43 -3.435 -2.137 16.470 1.00 0.00 C ATOM 621 O MET A 43 -3.152 -3.298 16.173 1.00 0.00 O ATOM 622 CB MET A 43 -5.497 -0.981 17.288 1.00 0.00 C ATOM 623 CG MET A 43 -5.920 -2.058 18.273 1.00 0.00 C ATOM 624 SD MET A 43 -7.514 -1.710 19.041 1.00 0.00 S ATOM 625 CE MET A 43 -8.502 -3.058 18.397 1.00 0.00 C ATOM 0 H MET A 43 -6.508 -2.680 15.818 1.00 0.00 H new ATOM 0 HA MET A 43 -4.579 -0.709 15.365 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.846 -0.270 17.797 1.00 0.00 H new ATOM 0 HB3 MET A 43 -6.380 -0.430 16.964 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.971 -3.017 17.757 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.160 -2.154 19.049 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.518 -2.981 18.783 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.522 -3.006 17.308 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.067 -4.008 18.707 1.00 0.00 H new ATOM 635 N GLY A 44 -2.617 -1.346 17.157 1.00 0.00 N ATOM 636 CA GLY A 44 -1.321 -1.825 17.599 1.00 0.00 C ATOM 637 C GLY A 44 -0.279 -0.724 17.639 1.00 0.00 C ATOM 638 O GLY A 44 -0.605 0.440 17.870 1.00 0.00 O ATOM 0 H GLY A 44 -2.829 -0.382 17.415 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.419 -2.265 18.592 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.983 -2.617 16.931 1.00 0.00 H new ATOM 642 N GLY A 45 0.978 -1.093 17.412 1.00 0.00 N ATOM 643 CA GLY A 45 2.051 -0.117 17.427 1.00 0.00 C ATOM 644 C GLY A 45 3.021 -0.304 16.277 1.00 0.00 C ATOM 645 O GLY A 45 2.891 -1.244 15.493 1.00 0.00 O ATOM 0 H GLY A 45 1.272 -2.050 17.218 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.626 0.886 17.381 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.592 -0.191 18.370 1.00 0.00 H new ATOM 649 N ILE A 46 3.996 0.593 16.176 1.00 0.00 N ATOM 650 CA ILE A 46 4.991 0.523 15.113 1.00 0.00 C ATOM 651 C ILE A 46 5.998 -0.593 15.376 1.00 0.00 C ATOM 652 O ILE A 46 7.136 -0.337 15.771 1.00 0.00 O ATOM 653 CB ILE A 46 5.747 1.857 14.961 1.00 0.00 C ATOM 654 CG1 ILE A 46 4.760 3.024 14.902 1.00 0.00 C ATOM 655 CG2 ILE A 46 6.620 1.832 13.715 1.00 0.00 C ATOM 656 CD1 ILE A 46 3.811 2.955 13.725 1.00 0.00 C ATOM 0 H ILE A 46 4.118 1.377 16.817 1.00 0.00 H new ATOM 0 HA ILE A 46 4.452 0.313 14.189 1.00 0.00 H new ATOM 0 HB ILE A 46 6.391 1.994 15.830 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.180 3.046 15.825 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.318 3.959 14.854 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.148 2.781 13.621 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.344 1.021 13.794 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.995 1.676 12.836 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.141 3.814 13.747 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.382 2.964 12.796 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.226 2.037 13.782 1.00 0.00 H new ATOM 668 N TYR A 47 5.571 -1.832 15.154 1.00 0.00 N ATOM 669 CA TYR A 47 6.434 -2.988 15.367 1.00 0.00 C ATOM 670 C TYR A 47 5.717 -4.279 14.985 1.00 0.00 C ATOM 671 O TYR A 47 6.313 -5.180 14.395 1.00 0.00 O ATOM 672 CB TYR A 47 6.883 -3.054 16.828 1.00 0.00 C ATOM 673 CG TYR A 47 8.230 -3.715 17.018 1.00 0.00 C ATOM 674 CD1 TYR A 47 9.402 -2.969 16.983 1.00 0.00 C ATOM 675 CD2 TYR A 47 8.330 -5.084 17.233 1.00 0.00 C ATOM 676 CE1 TYR A 47 10.635 -3.570 17.156 1.00 0.00 C ATOM 677 CE2 TYR A 47 9.559 -5.691 17.408 1.00 0.00 C ATOM 678 CZ TYR A 47 10.708 -4.930 17.368 1.00 0.00 C ATOM 679 OH TYR A 47 11.933 -5.531 17.542 1.00 0.00 O ATOM 0 H TYR A 47 4.633 -2.061 14.827 1.00 0.00 H new ATOM 0 HA TYR A 47 7.311 -2.878 14.729 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.923 -2.043 17.233 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.136 -3.599 17.405 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.349 -1.903 16.818 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.432 -5.684 17.264 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.537 -2.977 17.125 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.619 -6.756 17.575 1.00 0.00 H new ATOM 0 HH TYR A 47 11.809 -6.493 17.681 1.00 0.00 H new ATOM 689 N ASP A 48 4.435 -4.361 15.326 1.00 0.00 N ATOM 690 CA ASP A 48 3.636 -5.542 15.018 1.00 0.00 C ATOM 691 C ASP A 48 3.566 -5.775 13.513 1.00 0.00 C ATOM 692 O ASP A 48 3.681 -4.838 12.723 1.00 0.00 O ATOM 693 CB ASP A 48 2.225 -5.391 15.589 1.00 0.00 C ATOM 694 CG ASP A 48 2.108 -5.947 16.995 1.00 0.00 C ATOM 695 OD1 ASP A 48 2.561 -5.269 17.941 1.00 0.00 O1- ATOM 696 OD2 ASP A 48 1.563 -7.060 17.149 1.00 0.00 O ATOM 0 H ASP A 48 3.927 -3.624 15.815 1.00 0.00 H new ATOM 0 HA ASP A 48 4.117 -6.405 15.478 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.949 -4.337 15.594 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.516 -5.903 14.938 1.00 0.00 H new ATOM 701 N ALA A 49 3.376 -7.031 13.122 1.00 0.00 N ATOM 702 CA ALA A 49 3.290 -7.388 11.712 1.00 0.00 C ATOM 703 C ALA A 49 2.694 -8.783 11.531 1.00 0.00 C ATOM 704 O ALA A 49 3.278 -9.634 10.859 1.00 0.00 O ATOM 705 CB ALA A 49 4.665 -7.309 11.065 1.00 0.00 C ATOM 0 H ALA A 49 3.279 -7.819 13.763 1.00 0.00 H new ATOM 0 HA ALA A 49 2.627 -6.675 11.221 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.587 -7.578 10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.051 -6.293 11.153 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.343 -7.999 11.567 1.00 0.00 H new ATOM 711 N PRO A 50 1.519 -9.039 12.133 1.00 0.00 N ATOM 712 CA PRO A 50 0.850 -10.337 12.035 1.00 0.00 C ATOM 713 C PRO A 50 0.141 -10.528 10.701 1.00 0.00 C ATOM 714 O PRO A 50 0.206 -11.599 10.096 1.00 0.00 O ATOM 715 CB PRO A 50 -0.164 -10.288 13.176 1.00 0.00 C ATOM 716 CG PRO A 50 -0.500 -8.843 13.313 1.00 0.00 C ATOM 717 CD PRO A 50 0.752 -8.083 12.957 1.00 0.00 C ATOM 0 HA PRO A 50 1.553 -11.167 12.100 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.049 -10.881 12.947 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.257 -10.687 14.099 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.322 -8.570 12.651 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.819 -8.613 14.329 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.524 -7.171 12.405 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.307 -7.786 13.847 1.00 0.00 H new ATOM 725 N LEU A 51 -0.537 -9.482 10.250 1.00 0.00 N ATOM 726 CA LEU A 51 -1.266 -9.524 8.987 1.00 0.00 C ATOM 727 C LEU A 51 -2.287 -10.658 8.985 1.00 0.00 C ATOM 728 O LEU A 51 -1.931 -11.827 8.836 1.00 0.00 O ATOM 729 CB LEU A 51 -0.295 -9.692 7.816 1.00 0.00 C ATOM 730 CG LEU A 51 -0.653 -8.898 6.558 1.00 0.00 C ATOM 731 CD1 LEU A 51 0.323 -9.210 5.433 1.00 0.00 C ATOM 732 CD2 LEU A 51 -2.081 -9.198 6.125 1.00 0.00 C ATOM 0 H LEU A 51 -0.598 -8.590 10.741 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.799 -8.580 8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.701 -9.394 8.144 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.242 -10.749 7.557 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.581 -7.836 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.052 -8.636 4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.333 -8.943 5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.284 -10.274 5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.318 -8.624 5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.180 -10.262 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.769 -8.923 6.924 1.00 0.00 H new ATOM 744 N ASN A 52 -3.557 -10.305 9.152 1.00 0.00 N ATOM 745 CA ASN A 52 -4.629 -11.294 9.170 1.00 0.00 C ATOM 746 C ASN A 52 -5.103 -11.609 7.755 1.00 0.00 C ATOM 747 O ASN A 52 -5.218 -12.773 7.373 1.00 0.00 O ATOM 748 CB ASN A 52 -5.801 -10.790 10.013 1.00 0.00 C ATOM 749 CG ASN A 52 -5.405 -10.519 11.451 1.00 0.00 C ATOM 750 OD1 ASN A 52 -4.256 -10.726 11.840 1.00 0.00 O ATOM 751 ND2 ASN A 52 -6.359 -10.055 12.250 1.00 0.00 N ATOM 0 H ASN A 52 -3.869 -9.342 9.277 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.238 -12.209 9.614 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.197 -9.876 9.570 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.603 -11.528 9.993 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.152 -9.856 13.229 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.298 -9.898 11.885 1.00 0.00 H new ATOM 758 N ASN A 53 -5.379 -10.563 6.982 1.00 0.00 N ATOM 759 CA ASN A 53 -5.843 -10.728 5.610 1.00 0.00 C ATOM 760 C ASN A 53 -4.701 -11.160 4.695 1.00 0.00 C ATOM 761 O ASN A 53 -4.315 -10.433 3.779 1.00 0.00 O ATOM 762 CB ASN A 53 -6.459 -9.425 5.100 1.00 0.00 C ATOM 763 CG ASN A 53 -7.930 -9.306 5.448 1.00 0.00 C ATOM 764 OD1 ASN A 53 -8.366 -8.306 6.018 1.00 0.00 O ATOM 765 ND2 ASN A 53 -8.704 -10.329 5.105 1.00 0.00 N ATOM 0 H ASN A 53 -5.289 -9.593 7.283 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.603 -11.509 5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.918 -8.580 5.526 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.339 -9.368 4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.702 -10.305 5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.300 -11.138 4.634 1.00 0.00 H new ATOM 772 N GLU A 54 -4.163 -12.349 4.947 1.00 0.00 N ATOM 773 CA GLU A 54 -3.067 -12.878 4.144 1.00 0.00 C ATOM 774 C GLU A 54 -3.566 -13.922 3.146 1.00 0.00 C ATOM 775 O GLU A 54 -2.780 -14.699 2.605 1.00 0.00 O ATOM 776 CB GLU A 54 -1.995 -13.494 5.046 1.00 0.00 C ATOM 777 CG GLU A 54 -1.401 -12.513 6.043 1.00 0.00 C ATOM 778 CD GLU A 54 -0.413 -13.169 6.987 1.00 0.00 C ATOM 779 OE1 GLU A 54 -0.843 -14.006 7.808 1.00 0.00 O1- ATOM 780 OE2 GLU A 54 0.791 -12.845 6.906 1.00 0.00 O ATOM 0 H GLU A 54 -4.468 -12.964 5.701 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.634 -12.049 3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.428 -14.334 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.195 -13.895 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.902 -11.708 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.204 -12.058 6.622 1.00 0.00 H new ATOM 787 N ASN A 55 -4.875 -13.935 2.905 1.00 0.00 N ATOM 788 CA ASN A 55 -5.468 -14.885 1.971 1.00 0.00 C ATOM 789 C ASN A 55 -4.871 -14.722 0.577 1.00 0.00 C ATOM 790 O ASN A 55 -4.775 -15.683 -0.186 1.00 0.00 O ATOM 791 CB ASN A 55 -6.985 -14.697 1.914 1.00 0.00 C ATOM 792 CG ASN A 55 -7.379 -13.264 1.617 1.00 0.00 C ATOM 793 OD1 ASN A 55 -6.743 -12.322 2.089 1.00 0.00 O ATOM 794 ND2 ASN A 55 -8.434 -13.092 0.829 1.00 0.00 N ATOM 0 H ASN A 55 -5.542 -13.300 3.343 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.247 -15.892 2.326 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.401 -15.351 1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.422 -15.001 2.865 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.746 -12.150 0.593 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.932 -13.902 0.460 1.00 0.00 H new ATOM 801 N GLY A 56 -4.470 -13.497 0.251 1.00 0.00 N ATOM 802 CA GLY A 56 -3.886 -13.228 -1.049 1.00 0.00 C ATOM 803 C GLY A 56 -4.622 -12.135 -1.800 1.00 0.00 C ATOM 804 O GLY A 56 -4.004 -11.224 -2.350 1.00 0.00 O ATOM 0 H GLY A 56 -4.540 -12.686 0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.843 -12.939 -0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.894 -14.142 -1.643 1.00 0.00 H new ATOM 808 N PHE A 57 -5.948 -12.226 -1.822 1.00 0.00 N ATOM 809 CA PHE A 57 -6.768 -11.236 -2.510 1.00 0.00 C ATOM 810 C PHE A 57 -6.599 -9.860 -1.876 1.00 0.00 C ATOM 811 O PHE A 57 -6.323 -8.878 -2.565 1.00 0.00 O ATOM 812 CB PHE A 57 -8.240 -11.650 -2.476 1.00 0.00 C ATOM 813 CG PHE A 57 -8.501 -12.992 -3.098 1.00 0.00 C ATOM 814 CD1 PHE A 57 -8.352 -14.154 -2.358 1.00 0.00 C ATOM 815 CD2 PHE A 57 -8.896 -13.091 -4.422 1.00 0.00 C ATOM 816 CE1 PHE A 57 -8.591 -15.390 -2.928 1.00 0.00 C ATOM 817 CE2 PHE A 57 -9.137 -14.324 -4.998 1.00 0.00 C ATOM 818 CZ PHE A 57 -8.984 -15.475 -4.249 1.00 0.00 C ATOM 0 H PHE A 57 -6.476 -12.974 -1.372 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.438 -11.182 -3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.581 -11.666 -1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.833 -10.897 -2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.046 -14.093 -1.324 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.017 -12.194 -5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.471 -16.288 -2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.444 -14.388 -6.031 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.172 -16.440 -4.696 1.00 0.00 H new ATOM 828 N ASP A 58 -6.766 -9.798 -0.558 1.00 0.00 N ATOM 829 CA ASP A 58 -6.632 -8.543 0.173 1.00 0.00 C ATOM 830 C ASP A 58 -5.245 -7.938 -0.026 1.00 0.00 C ATOM 831 O ASP A 58 -5.113 -6.768 -0.385 1.00 0.00 O ATOM 832 CB ASP A 58 -6.893 -8.767 1.663 1.00 0.00 C ATOM 833 CG ASP A 58 -8.360 -8.633 2.020 1.00 0.00 C ATOM 834 OD1 ASP A 58 -8.919 -7.532 1.829 1.00 0.00 O1- ATOM 835 OD2 ASP A 58 -8.950 -9.628 2.491 1.00 0.00 O ATOM 0 H ASP A 58 -6.994 -10.603 0.025 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.371 -7.845 -0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.543 -9.760 1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.314 -8.048 2.242 1.00 0.00 H new ATOM 840 N LYS A 59 -4.215 -8.743 0.212 1.00 0.00 N ATOM 841 CA LYS A 59 -2.838 -8.287 0.061 1.00 0.00 C ATOM 842 C LYS A 59 -2.561 -7.848 -1.375 1.00 0.00 C ATOM 843 O LYS A 59 -1.782 -6.925 -1.613 1.00 0.00 O ATOM 844 CB LYS A 59 -1.863 -9.396 0.473 1.00 0.00 C ATOM 845 CG LYS A 59 -1.757 -10.529 -0.535 1.00 0.00 C ATOM 846 CD LYS A 59 -0.663 -11.514 -0.154 1.00 0.00 C ATOM 847 CE LYS A 59 0.598 -11.292 -0.973 1.00 0.00 C ATOM 848 NZ LYS A 59 1.706 -12.186 -0.541 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.308 -9.714 0.510 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.692 -7.427 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.875 -8.961 0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.178 -9.805 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.712 -11.051 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.551 -10.119 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.432 -11.410 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.021 -12.533 -0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.381 -11.466 -2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.913 -10.253 -0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.583 -11.912 -1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.840 -12.101 0.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.471 -13.171 -0.779 1.00 0.00 H new ATOM 862 N GLU A 60 -3.200 -8.519 -2.328 1.00 0.00 N ATOM 863 CA GLU A 60 -3.018 -8.200 -3.739 1.00 0.00 C ATOM 864 C GLU A 60 -3.566 -6.815 -4.068 1.00 0.00 C ATOM 865 O GLU A 60 -2.829 -5.938 -4.518 1.00 0.00 O ATOM 866 CB GLU A 60 -3.704 -9.251 -4.614 1.00 0.00 C ATOM 867 CG GLU A 60 -2.902 -10.534 -4.764 1.00 0.00 C ATOM 868 CD GLU A 60 -2.189 -10.623 -6.099 1.00 0.00 C ATOM 869 OE1 GLU A 60 -2.784 -10.215 -7.119 1.00 0.00 O ATOM 870 OE2 GLU A 60 -1.036 -11.101 -6.126 1.00 0.00 O1- ATOM 0 H GLU A 60 -3.848 -9.286 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.948 -8.203 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.678 -9.489 -4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.885 -8.828 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.169 -10.596 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.568 -11.390 -4.654 1.00 0.00 H new ATOM 877 N ASP A 61 -4.863 -6.624 -3.845 1.00 0.00 N ATOM 878 CA ASP A 61 -5.505 -5.344 -4.124 1.00 0.00 C ATOM 879 C ASP A 61 -4.828 -4.212 -3.359 1.00 0.00 C ATOM 880 O ASP A 61 -4.638 -3.118 -3.889 1.00 0.00 O ATOM 881 CB ASP A 61 -6.991 -5.401 -3.765 1.00 0.00 C ATOM 882 CG ASP A 61 -7.233 -5.883 -2.348 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.822 -5.180 -1.401 1.00 0.00 O ATOM 884 OD2 ASP A 61 -7.838 -6.963 -2.186 1.00 0.00 O1- ATOM 0 H ASP A 61 -5.489 -7.338 -3.473 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.405 -5.146 -5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.428 -4.410 -3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.504 -6.064 -4.462 1.00 0.00 H new ATOM 889 N LEU A 62 -4.468 -4.482 -2.111 1.00 0.00 N ATOM 890 CA LEU A 62 -3.812 -3.485 -1.272 1.00 0.00 C ATOM 891 C LEU A 62 -2.477 -3.056 -1.875 1.00 0.00 C ATOM 892 O LEU A 62 -2.230 -1.866 -2.075 1.00 0.00 O ATOM 893 CB LEU A 62 -3.598 -4.038 0.139 1.00 0.00 C ATOM 894 CG LEU A 62 -2.783 -3.144 1.081 1.00 0.00 C ATOM 895 CD1 LEU A 62 -3.196 -1.686 0.940 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.949 -3.607 2.519 1.00 0.00 C ATOM 0 H LEU A 62 -4.619 -5.383 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.459 -2.610 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.573 -4.219 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.099 -5.004 0.060 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.732 -3.225 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.603 -1.073 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.028 -1.358 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.253 -1.582 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.365 -2.964 3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.001 -3.554 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.600 -4.635 2.613 1.00 0.00 H new ATOM 908 N ALA A 63 -1.620 -4.030 -2.163 1.00 0.00 N ATOM 909 CA ALA A 63 -0.311 -3.750 -2.743 1.00 0.00 C ATOM 910 C ALA A 63 -0.442 -2.974 -4.050 1.00 0.00 C ATOM 911 O ALA A 63 0.159 -1.911 -4.215 1.00 0.00 O ATOM 912 CB ALA A 63 0.454 -5.046 -2.970 1.00 0.00 C ATOM 0 H ALA A 63 -1.808 -5.020 -2.004 1.00 0.00 H new ATOM 0 HA ALA A 63 0.245 -3.131 -2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.429 -4.822 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.589 -5.560 -2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.107 -5.685 -3.651 1.00 0.00 H new ATOM 918 N ARG A 64 -1.230 -3.511 -4.975 1.00 0.00 N ATOM 919 CA ARG A 64 -1.440 -2.868 -6.268 1.00 0.00 C ATOM 920 C ARG A 64 -2.083 -1.495 -6.096 1.00 0.00 C ATOM 921 O ARG A 64 -1.756 -0.551 -6.815 1.00 0.00 O ATOM 922 CB ARG A 64 -2.318 -3.747 -7.161 1.00 0.00 C ATOM 923 CG ARG A 64 -2.082 -3.531 -8.647 1.00 0.00 C ATOM 924 CD ARG A 64 -2.279 -2.075 -9.037 1.00 0.00 C ATOM 925 NE ARG A 64 -2.631 -1.929 -10.447 1.00 0.00 N ATOM 926 CZ ARG A 64 -1.753 -2.022 -11.444 1.00 0.00 C ATOM 927 NH1 ARG A 64 -0.473 -2.260 -11.190 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -2.158 -1.876 -12.698 1.00 0.00 N ATOM 0 H ARG A 64 -1.734 -4.390 -4.854 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.467 -2.736 -6.742 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.133 -4.794 -6.921 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.366 -3.548 -6.935 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.070 -3.844 -8.905 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.765 -4.158 -9.220 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.064 -1.638 -8.420 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.365 -1.518 -8.832 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.606 -1.745 -10.682 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.157 -2.373 -10.227 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.195 -2.330 -11.958 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.141 -1.693 -12.898 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.486 -1.947 -13.462 1.00 0.00 H new ATOM 942 N PHE A 65 -3.000 -1.392 -5.138 1.00 0.00 N ATOM 943 CA PHE A 65 -3.690 -0.136 -4.870 1.00 0.00 C ATOM 944 C PHE A 65 -2.694 0.968 -4.527 1.00 0.00 C ATOM 945 O PHE A 65 -2.635 1.995 -5.201 1.00 0.00 O ATOM 946 CB PHE A 65 -4.691 -0.315 -3.726 1.00 0.00 C ATOM 947 CG PHE A 65 -5.410 0.950 -3.348 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.217 1.605 -4.265 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.277 1.483 -2.077 1.00 0.00 C ATOM 950 CE1 PHE A 65 -6.878 2.768 -3.919 1.00 0.00 C ATOM 951 CE2 PHE A 65 -5.935 2.646 -1.725 1.00 0.00 C ATOM 952 CZ PHE A 65 -6.737 3.289 -2.648 1.00 0.00 C ATOM 0 H PHE A 65 -3.282 -2.164 -4.534 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.230 0.155 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.425 -1.068 -4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.165 -0.699 -2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.330 1.202 -5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.651 0.984 -1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.504 3.269 -4.642 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.823 3.051 -0.730 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.253 4.198 -2.376 1.00 0.00 H new ATOM 962 N ALA A 66 -1.913 0.747 -3.474 1.00 0.00 N ATOM 963 CA ALA A 66 -0.918 1.723 -3.045 1.00 0.00 C ATOM 964 C ALA A 66 0.079 2.014 -4.162 1.00 0.00 C ATOM 965 O ALA A 66 0.282 3.168 -4.546 1.00 0.00 O ATOM 966 CB ALA A 66 -0.194 1.227 -1.802 1.00 0.00 C ATOM 0 H ALA A 66 -1.950 -0.098 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.434 2.652 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.546 1.965 -1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.914 1.076 -0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.305 0.284 -2.024 1.00 0.00 H new ATOM 972 N VAL A 67 0.696 0.958 -4.684 1.00 0.00 N ATOM 973 CA VAL A 67 1.670 1.098 -5.760 1.00 0.00 C ATOM 974 C VAL A 67 1.101 1.927 -6.908 1.00 0.00 C ATOM 975 O VAL A 67 1.725 2.884 -7.365 1.00 0.00 O ATOM 976 CB VAL A 67 2.112 -0.276 -6.303 1.00 0.00 C ATOM 977 CG1 VAL A 67 3.176 -0.112 -7.378 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.620 -1.160 -5.173 1.00 0.00 C ATOM 0 H VAL A 67 0.539 -0.003 -4.379 1.00 0.00 H new ATOM 0 HA VAL A 67 2.537 1.608 -5.339 1.00 0.00 H new ATOM 0 HB VAL A 67 1.246 -0.761 -6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.474 -1.093 -7.748 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.774 0.479 -8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.044 0.396 -6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.927 -2.125 -5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.472 -0.680 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.825 -1.308 -4.442 1.00 0.00 H new ATOM 988 N ARG A 68 -0.088 1.553 -7.365 1.00 0.00 N ATOM 989 CA ARG A 68 -0.746 2.261 -8.456 1.00 0.00 C ATOM 990 C ARG A 68 -1.132 3.674 -8.030 1.00 0.00 C ATOM 991 O ARG A 68 -1.165 4.593 -8.848 1.00 0.00 O ATOM 992 CB ARG A 68 -1.989 1.493 -8.912 1.00 0.00 C ATOM 993 CG ARG A 68 -2.752 2.176 -10.035 1.00 0.00 C ATOM 994 CD ARG A 68 -3.673 1.205 -10.757 1.00 0.00 C ATOM 995 NE ARG A 68 -5.075 1.609 -10.666 1.00 0.00 N ATOM 996 CZ ARG A 68 -5.838 1.401 -9.595 1.00 0.00 C ATOM 997 NH1 ARG A 68 -5.340 0.795 -8.524 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -7.102 1.801 -9.595 1.00 0.00 N ATOM 0 H ARG A 68 -0.617 0.762 -6.996 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.046 2.331 -9.289 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.690 0.498 -9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.656 1.360 -8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.338 3.000 -9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.047 2.606 -10.746 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.382 1.141 -11.805 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.555 0.209 -10.331 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.493 2.078 -11.470 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.368 0.486 -8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.929 0.638 -7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.489 2.268 -10.415 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.687 1.642 -8.775 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.424 3.839 -6.743 1.00 0.00 N ATOM 1013 CA GLU A 69 -1.808 5.140 -6.206 1.00 0.00 C ATOM 1014 C GLU A 69 -0.673 6.146 -6.354 1.00 0.00 C ATOM 1015 O GLU A 69 -0.889 7.288 -6.758 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.202 5.012 -4.734 1.00 0.00 C ATOM 1017 CG GLU A 69 -2.943 6.224 -4.194 1.00 0.00 C ATOM 1018 CD GLU A 69 -2.038 7.427 -4.012 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -0.817 7.230 -3.838 1.00 0.00 O ATOM 1020 OE2 GLU A 69 -2.550 8.566 -4.044 1.00 0.00 O1- ATOM 0 H GLU A 69 -1.402 3.088 -6.053 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.665 5.500 -6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.829 4.129 -4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.303 4.851 -4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.753 6.483 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.400 5.970 -3.238 1.00 0.00 H new ATOM 1027 N TYR A 70 0.539 5.714 -6.025 1.00 0.00 N ATOM 1028 CA TYR A 70 1.710 6.579 -6.123 1.00 0.00 C ATOM 1029 C TYR A 70 2.367 6.463 -7.499 1.00 0.00 C ATOM 1030 O TYR A 70 3.190 7.297 -7.877 1.00 0.00 O ATOM 1031 CB TYR A 70 2.714 6.232 -5.017 1.00 0.00 C ATOM 1032 CG TYR A 70 3.823 5.296 -5.453 1.00 0.00 C ATOM 1033 CD1 TYR A 70 3.643 3.920 -5.432 1.00 0.00 C ATOM 1034 CD2 TYR A 70 5.046 5.791 -5.888 1.00 0.00 C ATOM 1035 CE1 TYR A 70 4.650 3.062 -5.831 1.00 0.00 C ATOM 1036 CE2 TYR A 70 6.058 4.940 -6.289 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.855 3.577 -6.259 1.00 0.00 C ATOM 1038 OH TYR A 70 6.860 2.726 -6.658 1.00 0.00 O ATOM 0 H TYR A 70 0.737 4.772 -5.689 1.00 0.00 H new ATOM 0 HA TYR A 70 1.385 7.611 -5.994 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.159 7.154 -4.644 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.177 5.777 -4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.700 3.513 -5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.208 6.858 -5.913 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.494 1.994 -5.808 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.003 5.341 -6.624 1.00 0.00 H new ATOM 0 HH TYR A 70 7.078 2.112 -5.926 1.00 0.00 H new ATOM 1048 N ASN A 71 2.008 5.418 -8.237 1.00 0.00 N ATOM 1049 CA ASN A 71 2.572 5.188 -9.563 1.00 0.00 C ATOM 1050 C ASN A 71 1.769 5.902 -10.650 1.00 0.00 C ATOM 1051 O ASN A 71 2.283 6.162 -11.738 1.00 0.00 O ATOM 1052 CB ASN A 71 2.626 3.689 -9.859 1.00 0.00 C ATOM 1053 CG ASN A 71 3.346 3.384 -11.156 1.00 0.00 C ATOM 1054 OD1 ASN A 71 2.726 3.270 -12.213 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.665 3.249 -11.081 1.00 0.00 N ATOM 0 H ASN A 71 1.329 4.717 -7.940 1.00 0.00 H new ATOM 0 HA ASN A 71 3.582 5.598 -9.568 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.128 3.177 -9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.611 3.294 -9.908 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.205 3.042 -11.921 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.138 3.352 -10.183 1.00 0.00 H new ATOM 1062 N ASN A 72 0.509 6.210 -10.359 1.00 0.00 N ATOM 1063 CA ASN A 72 -0.353 6.883 -11.327 1.00 0.00 C ATOM 1064 C ASN A 72 -0.171 8.399 -11.277 1.00 0.00 C ATOM 1065 O ASN A 72 -0.268 9.079 -12.299 1.00 0.00 O ATOM 1066 CB ASN A 72 -1.820 6.514 -11.075 1.00 0.00 C ATOM 1067 CG ASN A 72 -2.471 7.360 -9.995 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -2.997 8.439 -10.268 1.00 0.00 O ATOM 1069 ND2 ASN A 72 -2.436 6.874 -8.760 1.00 0.00 N ATOM 0 H ASN A 72 0.063 6.006 -9.465 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.067 6.546 -12.323 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.381 6.626 -12.003 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.880 5.463 -10.791 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.856 7.399 -7.993 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.990 5.975 -8.578 1.00 0.00 H new ATOM 1076 N LYS A 73 0.081 8.923 -10.082 1.00 0.00 N ATOM 1077 CA LYS A 73 0.263 10.362 -9.892 1.00 0.00 C ATOM 1078 C LYS A 73 1.188 10.961 -10.951 1.00 0.00 C ATOM 1079 O LYS A 73 0.906 12.029 -11.496 1.00 0.00 O ATOM 1080 CB LYS A 73 0.814 10.656 -8.494 1.00 0.00 C ATOM 1081 CG LYS A 73 1.870 9.668 -8.031 1.00 0.00 C ATOM 1082 CD LYS A 73 2.556 10.140 -6.760 1.00 0.00 C ATOM 1083 CE LYS A 73 3.997 9.663 -6.695 1.00 0.00 C ATOM 1084 NZ LYS A 73 4.845 10.567 -5.869 1.00 0.00 N1+ ATOM 0 H LYS A 73 0.164 8.373 -9.227 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.717 10.828 -9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.240 11.659 -8.485 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.010 10.653 -7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.409 8.696 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.612 9.532 -8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.530 11.229 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.010 9.771 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.028 8.656 -6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.406 9.604 -7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.820 10.207 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.837 11.522 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.471 10.604 -4.899 1.00 0.00 H new ATOM 1098 N ASN A 74 2.290 10.275 -11.239 1.00 0.00 N ATOM 1099 CA ASN A 74 3.245 10.756 -12.235 1.00 0.00 C ATOM 1100 C ASN A 74 4.380 9.756 -12.450 1.00 0.00 C ATOM 1101 O ASN A 74 4.866 9.588 -13.569 1.00 0.00 O ATOM 1102 CB ASN A 74 3.816 12.115 -11.810 1.00 0.00 C ATOM 1103 CG ASN A 74 4.837 12.001 -10.691 1.00 0.00 C ATOM 1104 OD1 ASN A 74 4.404 11.498 -9.542 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 6.002 12.362 -10.860 1.00 0.00 N flip ATOM 0 H ASN A 74 2.544 9.390 -10.801 1.00 0.00 H new ATOM 0 HA ASN A 74 2.712 10.869 -13.179 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.280 12.594 -12.672 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.000 12.762 -11.487 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.292 12.743 -11.760 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.677 12.280 -10.100 1.00 0.00 H new ATOM 1112 N ASN A 75 4.801 9.101 -11.371 1.00 0.00 N ATOM 1113 CA ASN A 75 5.885 8.121 -11.432 1.00 0.00 C ATOM 1114 C ASN A 75 5.725 7.187 -12.632 1.00 0.00 C ATOM 1115 O ASN A 75 4.666 7.141 -13.258 1.00 0.00 O ATOM 1116 CB ASN A 75 5.929 7.308 -10.137 1.00 0.00 C ATOM 1117 CG ASN A 75 7.175 6.451 -10.025 1.00 0.00 C ATOM 1118 OD1 ASN A 75 7.096 5.255 -9.744 1.00 0.00 O ATOM 1119 ND2 ASN A 75 8.335 7.059 -10.244 1.00 0.00 N ATOM 0 H ASN A 75 4.407 9.231 -10.439 1.00 0.00 H new ATOM 0 HA ASN A 75 6.823 8.663 -11.551 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.882 7.987 -9.285 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.048 6.669 -10.084 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.206 6.533 -10.182 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.355 8.052 -10.474 1.00 0.00 H new ATOM 1126 N ALA A 76 6.789 6.451 -12.949 1.00 0.00 N ATOM 1127 CA ALA A 76 6.777 5.522 -14.075 1.00 0.00 C ATOM 1128 C ALA A 76 5.624 4.527 -13.969 1.00 0.00 C ATOM 1129 O ALA A 76 4.697 4.715 -13.182 1.00 0.00 O ATOM 1130 CB ALA A 76 8.106 4.785 -14.156 1.00 0.00 C ATOM 0 H ALA A 76 7.672 6.481 -12.440 1.00 0.00 H new ATOM 0 HA ALA A 76 6.631 6.101 -14.987 1.00 0.00 H new ATOM 0 HB1 ALA A 76 8.088 4.094 -14.999 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.913 5.504 -14.294 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.270 4.228 -13.234 1.00 0.00 H new ATOM 1136 N LEU A 77 5.686 3.467 -14.771 1.00 0.00 N ATOM 1137 CA LEU A 77 4.645 2.445 -14.769 1.00 0.00 C ATOM 1138 C LEU A 77 5.229 1.066 -14.475 1.00 0.00 C ATOM 1139 O LEU A 77 5.740 0.393 -15.370 1.00 0.00 O ATOM 1140 CB LEU A 77 3.917 2.428 -16.116 1.00 0.00 C ATOM 1141 CG LEU A 77 2.398 2.270 -16.029 1.00 0.00 C ATOM 1142 CD1 LEU A 77 2.036 1.037 -15.215 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.768 3.515 -15.424 1.00 0.00 C ATOM 0 H LEU A 77 6.446 3.294 -15.430 1.00 0.00 H new ATOM 0 HA LEU A 77 3.934 2.690 -13.980 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.141 3.355 -16.644 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.318 1.613 -16.718 1.00 0.00 H new ATOM 0 HG LEU A 77 2.006 2.142 -17.038 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.952 0.940 -15.164 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.457 0.151 -15.690 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.440 1.135 -14.207 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.687 3.386 -15.369 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.166 3.674 -14.422 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.999 4.379 -16.047 1.00 0.00 H new ATOM 1155 N LEU A 78 5.145 0.652 -13.215 1.00 0.00 N ATOM 1156 CA LEU A 78 5.659 -0.649 -12.799 1.00 0.00 C ATOM 1157 C LEU A 78 4.526 -1.540 -12.300 1.00 0.00 C ATOM 1158 O LEU A 78 3.358 -1.152 -12.336 1.00 0.00 O ATOM 1159 CB LEU A 78 6.716 -0.482 -11.704 1.00 0.00 C ATOM 1160 CG LEU A 78 6.501 0.707 -10.765 1.00 0.00 C ATOM 1161 CD1 LEU A 78 5.256 0.499 -9.916 1.00 0.00 C ATOM 1162 CD2 LEU A 78 7.723 0.916 -9.882 1.00 0.00 C ATOM 0 H LEU A 78 4.725 1.199 -12.463 1.00 0.00 H new ATOM 0 HA LEU A 78 6.121 -1.125 -13.664 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.745 -1.394 -11.108 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.693 -0.379 -12.177 1.00 0.00 H new ATOM 0 HG LEU A 78 6.357 1.602 -11.370 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.119 1.355 -9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.386 0.399 -10.565 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.369 -0.406 -9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.553 1.765 -9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.898 0.021 -9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.594 1.112 -10.507 1.00 0.00 H new ATOM 1174 N GLU A 79 4.875 -2.736 -11.836 1.00 0.00 N ATOM 1175 CA GLU A 79 3.878 -3.676 -11.334 1.00 0.00 C ATOM 1176 C GLU A 79 4.417 -4.468 -10.147 1.00 0.00 C ATOM 1177 O GLU A 79 5.551 -4.945 -10.168 1.00 0.00 O ATOM 1178 CB GLU A 79 3.446 -4.634 -12.446 1.00 0.00 C ATOM 1179 CG GLU A 79 3.103 -3.935 -13.751 1.00 0.00 C ATOM 1180 CD GLU A 79 1.814 -3.141 -13.665 1.00 0.00 C ATOM 1181 OE1 GLU A 79 0.815 -3.684 -13.150 1.00 0.00 O ATOM 1182 OE2 GLU A 79 1.805 -1.975 -14.113 1.00 0.00 O1- ATOM 0 H GLU A 79 5.836 -3.076 -11.797 1.00 0.00 H new ATOM 0 HA GLU A 79 3.014 -3.102 -10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.246 -5.352 -12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.579 -5.202 -12.109 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.919 -3.267 -14.027 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.016 -4.677 -14.545 1.00 0.00 H new ATOM 1189 N PHE A 80 3.591 -4.608 -9.114 1.00 0.00 N ATOM 1190 CA PHE A 80 3.980 -5.346 -7.917 1.00 0.00 C ATOM 1191 C PHE A 80 3.858 -6.851 -8.149 1.00 0.00 C ATOM 1192 O PHE A 80 3.012 -7.302 -8.921 1.00 0.00 O ATOM 1193 CB PHE A 80 3.121 -4.908 -6.721 1.00 0.00 C ATOM 1194 CG PHE A 80 1.967 -5.825 -6.418 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.801 -5.764 -7.164 1.00 0.00 C ATOM 1196 CD2 PHE A 80 2.054 -6.750 -5.391 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.258 -6.610 -6.889 1.00 0.00 C ATOM 1198 CE2 PHE A 80 1.000 -7.597 -5.111 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.158 -7.527 -5.862 1.00 0.00 C ATOM 0 H PHE A 80 2.648 -4.220 -9.082 1.00 0.00 H new ATOM 0 HA PHE A 80 5.023 -5.122 -7.694 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.757 -4.839 -5.838 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.734 -3.908 -6.914 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.718 -5.048 -7.969 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.957 -6.810 -4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.162 -6.553 -7.477 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.080 -8.313 -4.306 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.984 -8.189 -5.646 1.00 0.00 H new ATOM 1209 N VAL A 81 4.705 -7.623 -7.476 1.00 0.00 N ATOM 1210 CA VAL A 81 4.684 -9.073 -7.613 1.00 0.00 C ATOM 1211 C VAL A 81 4.025 -9.728 -6.405 1.00 0.00 C ATOM 1212 O VAL A 81 3.318 -10.727 -6.538 1.00 0.00 O ATOM 1213 CB VAL A 81 6.103 -9.646 -7.787 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.653 -9.302 -9.163 1.00 0.00 C ATOM 1215 CG2 VAL A 81 7.028 -9.134 -6.693 1.00 0.00 C ATOM 0 H VAL A 81 5.412 -7.269 -6.832 1.00 0.00 H new ATOM 0 HA VAL A 81 4.102 -9.297 -8.507 1.00 0.00 H new ATOM 0 HB VAL A 81 6.047 -10.731 -7.703 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.656 -9.715 -9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.005 -9.725 -9.930 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.693 -8.219 -9.279 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.025 -9.551 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.080 -8.046 -6.740 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.643 -9.437 -5.719 1.00 0.00 H new ATOM 1225 N ARG A 82 4.259 -9.157 -5.226 1.00 0.00 N ATOM 1226 CA ARG A 82 3.687 -9.683 -3.990 1.00 0.00 C ATOM 1227 C ARG A 82 4.190 -8.902 -2.781 1.00 0.00 C ATOM 1228 O ARG A 82 5.176 -8.171 -2.868 1.00 0.00 O ATOM 1229 CB ARG A 82 4.030 -11.161 -3.825 1.00 0.00 C ATOM 1230 CG ARG A 82 5.515 -11.432 -3.907 1.00 0.00 C ATOM 1231 CD ARG A 82 5.803 -12.877 -4.281 1.00 0.00 C ATOM 1232 NE ARG A 82 7.081 -13.020 -4.973 1.00 0.00 N ATOM 1233 CZ ARG A 82 8.265 -12.860 -4.385 1.00 0.00 C ATOM 1234 NH1 ARG A 82 8.337 -12.552 -3.096 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 9.379 -13.008 -5.088 1.00 0.00 N ATOM 0 H ARG A 82 4.841 -8.329 -5.101 1.00 0.00 H new ATOM 0 HA ARG A 82 2.604 -9.573 -4.052 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.654 -11.511 -2.864 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.517 -11.736 -4.596 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.966 -10.768 -4.645 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.980 -11.205 -2.948 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.808 -13.490 -3.380 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.002 -13.253 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 82 7.066 -13.256 -5.965 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.483 -12.437 -2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.247 -12.431 -2.651 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.329 -13.244 -6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.286 -12.886 -4.638 1.00 0.00 H new ATOM 1249 N VAL A 83 3.506 -9.063 -1.652 1.00 0.00 N ATOM 1250 CA VAL A 83 3.884 -8.374 -0.426 1.00 0.00 C ATOM 1251 C VAL A 83 4.888 -9.194 0.382 1.00 0.00 C ATOM 1252 O VAL A 83 4.806 -10.421 0.431 1.00 0.00 O ATOM 1253 CB VAL A 83 2.650 -8.069 0.450 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.558 -7.402 -0.374 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.127 -9.336 1.115 1.00 0.00 C ATOM 0 H VAL A 83 2.687 -9.665 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 83 4.349 -7.433 -0.721 1.00 0.00 H new ATOM 0 HB VAL A 83 2.956 -7.378 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.697 -7.195 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.935 -6.467 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.259 -8.065 -1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.258 -9.094 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.842 -10.058 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.906 -9.764 1.746 1.00 0.00 H new ATOM 1265 N VAL A 84 5.834 -8.506 1.012 1.00 0.00 N ATOM 1266 CA VAL A 84 6.853 -9.167 1.817 1.00 0.00 C ATOM 1267 C VAL A 84 6.791 -8.724 3.280 1.00 0.00 C ATOM 1268 O VAL A 84 7.400 -9.350 4.148 1.00 0.00 O ATOM 1269 CB VAL A 84 8.266 -8.888 1.265 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.558 -7.394 1.267 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.315 -9.649 2.064 1.00 0.00 C ATOM 0 H VAL A 84 5.916 -7.490 0.980 1.00 0.00 H new ATOM 0 HA VAL A 84 6.649 -10.236 1.764 1.00 0.00 H new ATOM 0 HB VAL A 84 8.307 -9.239 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.559 -7.218 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.828 -6.880 0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.496 -7.013 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.305 -9.439 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.276 -9.335 3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.116 -10.719 1.999 1.00 0.00 H new ATOM 1281 N LYS A 85 6.059 -7.645 3.551 1.00 0.00 N ATOM 1282 CA LYS A 85 5.934 -7.135 4.913 1.00 0.00 C ATOM 1283 C LYS A 85 4.573 -6.483 5.133 1.00 0.00 C ATOM 1284 O LYS A 85 3.922 -6.045 4.185 1.00 0.00 O ATOM 1285 CB LYS A 85 7.045 -6.125 5.210 1.00 0.00 C ATOM 1286 CG LYS A 85 8.393 -6.509 4.621 1.00 0.00 C ATOM 1287 CD LYS A 85 9.508 -5.629 5.163 1.00 0.00 C ATOM 1288 CE LYS A 85 10.636 -5.476 4.155 1.00 0.00 C ATOM 1289 NZ LYS A 85 11.957 -5.309 4.820 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.547 -7.110 2.849 1.00 0.00 H new ATOM 0 HA LYS A 85 6.027 -7.981 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.752 -5.151 4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.147 -6.018 6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.608 -7.553 4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.355 -6.423 3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.108 -4.647 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.898 -6.060 6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.664 -6.352 3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.439 -4.614 3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.699 -5.208 4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.939 -4.459 5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.158 -6.143 5.408 1.00 0.00 H new ATOM 1303 N ALA A 86 4.151 -6.421 6.393 1.00 0.00 N ATOM 1304 CA ALA A 86 2.869 -5.822 6.743 1.00 0.00 C ATOM 1305 C ALA A 86 2.847 -5.384 8.203 1.00 0.00 C ATOM 1306 O ALA A 86 3.138 -6.173 9.102 1.00 0.00 O ATOM 1307 CB ALA A 86 1.737 -6.799 6.465 1.00 0.00 C ATOM 0 H ALA A 86 4.680 -6.779 7.188 1.00 0.00 H new ATOM 0 HA ALA A 86 2.729 -4.936 6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.785 -6.339 6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.732 -7.058 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.882 -7.702 7.058 1.00 0.00 H new ATOM 1313 N LYS A 87 2.498 -4.122 8.432 1.00 0.00 N ATOM 1314 CA LYS A 87 2.435 -3.578 9.784 1.00 0.00 C ATOM 1315 C LYS A 87 1.142 -2.798 9.995 1.00 0.00 C ATOM 1316 O LYS A 87 0.524 -2.332 9.037 1.00 0.00 O ATOM 1317 CB LYS A 87 3.640 -2.672 10.048 1.00 0.00 C ATOM 1318 CG LYS A 87 4.960 -3.421 10.119 1.00 0.00 C ATOM 1319 CD LYS A 87 5.635 -3.491 8.759 1.00 0.00 C ATOM 1320 CE LYS A 87 6.900 -4.333 8.806 1.00 0.00 C ATOM 1321 NZ LYS A 87 6.599 -5.776 9.014 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.254 -3.457 7.698 1.00 0.00 H new ATOM 0 HA LYS A 87 2.455 -4.411 10.486 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.700 -1.922 9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.484 -2.138 10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.622 -2.927 10.830 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.787 -4.430 10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.943 -3.913 8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.880 -2.484 8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.454 -4.208 7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.544 -3.977 9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.809 -6.036 9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.593 -5.953 8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.184 -6.349 8.372 1.00 0.00 H new ATOM 1335 N GLU A 88 0.735 -2.661 11.252 1.00 0.00 N ATOM 1336 CA GLU A 88 -0.488 -1.939 11.584 1.00 0.00 C ATOM 1337 C GLU A 88 -0.245 -0.937 12.709 1.00 0.00 C ATOM 1338 O GLU A 88 0.524 -1.200 13.633 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.589 -2.920 11.989 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.272 -3.703 13.252 1.00 0.00 C ATOM 1341 CD GLU A 88 -1.656 -5.166 13.144 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -1.633 -5.704 12.017 1.00 0.00 O1- ATOM 1343 OE2 GLU A 88 -1.980 -5.774 14.186 1.00 0.00 O ATOM 0 H GLU A 88 1.233 -3.040 12.057 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.806 -1.390 10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.518 -2.370 12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.759 -3.620 11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.206 -3.626 13.465 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.798 -3.254 14.095 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.910 0.210 12.623 1.00 0.00 N ATOM 1351 CA GLN A 89 -0.773 1.254 13.633 1.00 0.00 C ATOM 1352 C GLN A 89 -2.016 2.136 13.672 1.00 0.00 C ATOM 1353 O GLN A 89 -2.741 2.248 12.683 1.00 0.00 O ATOM 1354 CB GLN A 89 0.466 2.108 13.355 1.00 0.00 C ATOM 1355 CG GLN A 89 0.631 2.485 11.891 1.00 0.00 C ATOM 1356 CD GLN A 89 1.989 2.101 11.339 1.00 0.00 C ATOM 1357 OE1 GLN A 89 2.859 2.952 11.150 1.00 0.00 O ATOM 1358 NE2 GLN A 89 2.179 0.813 11.075 1.00 0.00 N ATOM 0 H GLN A 89 -1.550 0.441 11.863 1.00 0.00 H new ATOM 0 HA GLN A 89 -0.659 0.772 14.604 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.411 3.018 13.952 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.352 1.565 13.684 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.147 1.996 11.304 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.488 3.560 11.778 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.431 0.141 11.247 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.073 0.496 10.701 1.00 0.00 H new ATOM 1367 N VAL A 90 -2.261 2.757 14.821 1.00 0.00 N ATOM 1368 CA VAL A 90 -3.420 3.625 14.986 1.00 0.00 C ATOM 1369 C VAL A 90 -3.017 5.096 14.997 1.00 0.00 C ATOM 1370 O VAL A 90 -2.179 5.516 15.794 1.00 0.00 O ATOM 1371 CB VAL A 90 -4.182 3.305 16.286 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -5.497 4.068 16.335 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -4.421 1.808 16.409 1.00 0.00 C ATOM 0 H VAL A 90 -1.673 2.675 15.650 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.073 3.439 14.133 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.572 3.623 17.132 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.022 3.830 17.260 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.298 5.139 16.296 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.115 3.783 15.484 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.960 1.600 17.333 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.010 1.463 15.559 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.464 1.287 16.423 1.00 0.00 H new ATOM 1383 N VAL A 91 -3.625 5.872 14.106 1.00 0.00 N ATOM 1384 CA VAL A 91 -3.341 7.299 14.006 1.00 0.00 C ATOM 1385 C VAL A 91 -4.471 8.024 13.285 1.00 0.00 C ATOM 1386 O VAL A 91 -4.514 8.059 12.055 1.00 0.00 O ATOM 1387 CB VAL A 91 -2.019 7.561 13.260 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.828 7.245 14.152 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.961 6.749 11.974 1.00 0.00 C ATOM 0 H VAL A 91 -4.320 5.535 13.440 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.252 7.680 15.023 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.976 8.618 12.998 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.096 7.437 13.607 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.862 7.875 15.041 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.864 6.197 14.449 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.020 6.947 11.461 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.029 5.687 12.211 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.793 7.030 11.328 1.00 0.00 H new ATOM 1399 N SER A 92 -5.391 8.593 14.056 1.00 0.00 N ATOM 1400 CA SER A 92 -6.528 9.307 13.487 1.00 0.00 C ATOM 1401 C SER A 92 -7.382 8.367 12.641 1.00 0.00 C ATOM 1402 O SER A 92 -8.071 8.798 11.717 1.00 0.00 O ATOM 1403 CB SER A 92 -6.046 10.484 12.636 1.00 0.00 C ATOM 1404 OG SER A 92 -5.135 11.296 13.357 1.00 0.00 O ATOM 0 H SER A 92 -5.372 8.574 15.076 1.00 0.00 H new ATOM 0 HA SER A 92 -7.137 9.690 14.306 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.567 10.110 11.731 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.901 11.083 12.321 1.00 0.00 H new ATOM 0 HG SER A 92 -4.841 12.040 12.791 1.00 0.00 H new ATOM 1410 N GLY A 93 -7.327 7.078 12.964 1.00 0.00 N ATOM 1411 CA GLY A 93 -8.092 6.091 12.228 1.00 0.00 C ATOM 1412 C GLY A 93 -7.393 4.747 12.182 1.00 0.00 C ATOM 1413 O GLY A 93 -7.255 4.077 13.206 1.00 0.00 O ATOM 0 H GLY A 93 -6.764 6.700 13.726 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.072 5.974 12.690 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.260 6.447 11.212 1.00 0.00 H new ATOM 1417 N MET A 94 -6.948 4.354 10.994 1.00 0.00 N ATOM 1418 CA MET A 94 -6.255 3.083 10.821 1.00 0.00 C ATOM 1419 C MET A 94 -5.196 3.188 9.728 1.00 0.00 C ATOM 1420 O MET A 94 -5.517 3.388 8.557 1.00 0.00 O ATOM 1421 CB MET A 94 -7.253 1.976 10.477 1.00 0.00 C ATOM 1422 CG MET A 94 -8.175 1.609 11.628 1.00 0.00 C ATOM 1423 SD MET A 94 -7.360 0.589 12.872 1.00 0.00 S ATOM 1424 CE MET A 94 -7.588 1.596 14.336 1.00 0.00 C ATOM 0 H MET A 94 -7.055 4.897 10.137 1.00 0.00 H new ATOM 0 HA MET A 94 -5.760 2.835 11.760 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.856 2.294 9.626 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.704 1.088 10.165 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.545 2.521 12.097 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.042 1.076 11.238 1.00 0.00 H new ATOM 0 HE1 MET A 94 -7.666 0.952 15.212 1.00 0.00 H new ATOM 0 HE2 MET A 94 -6.737 2.266 14.453 1.00 0.00 H new ATOM 0 HE3 MET A 94 -8.501 2.183 14.235 1.00 0.00 H new ATOM 1434 N MET A 95 -3.932 3.050 10.118 1.00 0.00 N ATOM 1435 CA MET A 95 -2.827 3.128 9.170 1.00 0.00 C ATOM 1436 C MET A 95 -2.128 1.778 9.042 1.00 0.00 C ATOM 1437 O MET A 95 -1.828 1.127 10.043 1.00 0.00 O ATOM 1438 CB MET A 95 -1.824 4.198 9.607 1.00 0.00 C ATOM 1439 CG MET A 95 -1.312 5.055 8.461 1.00 0.00 C ATOM 1440 SD MET A 95 -0.322 6.453 9.026 1.00 0.00 S ATOM 1441 CE MET A 95 -1.331 7.828 8.480 1.00 0.00 C ATOM 0 H MET A 95 -3.648 2.884 11.084 1.00 0.00 H new ATOM 0 HA MET A 95 -3.234 3.401 8.196 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.293 4.842 10.350 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.978 3.714 10.094 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.713 4.438 7.791 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.159 5.425 7.883 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.724 8.733 8.444 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.727 7.617 7.487 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.157 7.972 9.177 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.874 1.362 7.806 1.00 0.00 N ATOM 1452 CA HIS A 96 -1.214 0.087 7.550 1.00 0.00 C ATOM 1453 C HIS A 96 0.068 0.285 6.747 1.00 0.00 C ATOM 1454 O HIS A 96 0.048 0.849 5.653 1.00 0.00 O ATOM 1455 CB HIS A 96 -2.156 -0.857 6.801 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.614 -2.244 6.647 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -2.316 -3.372 7.018 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -0.431 -2.684 6.156 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -1.588 -4.445 6.764 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -0.440 -4.054 6.241 1.00 0.00 N ATOM 0 H HIS A 96 -2.115 1.889 6.966 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.953 -0.356 8.511 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.107 -0.904 7.331 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.362 -0.444 5.813 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -3.251 -3.377 7.425 1.00 0.00 H new ATOM 0 HD2 HIS A 96 0.370 -2.071 5.770 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.882 -5.467 6.952 1.00 0.00 H new ATOM 1469 N TYR A 97 1.181 -0.189 7.298 1.00 0.00 N ATOM 1470 CA TYR A 97 2.475 -0.072 6.635 1.00 0.00 C ATOM 1471 C TYR A 97 2.910 -1.421 6.075 1.00 0.00 C ATOM 1472 O TYR A 97 3.495 -2.239 6.785 1.00 0.00 O ATOM 1473 CB TYR A 97 3.528 0.452 7.613 1.00 0.00 C ATOM 1474 CG TYR A 97 3.386 1.924 7.932 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.176 2.446 8.375 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.462 2.791 7.791 1.00 0.00 C ATOM 1477 CE1 TYR A 97 2.044 3.790 8.667 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.337 4.136 8.082 1.00 0.00 C ATOM 1479 CZ TYR A 97 3.127 4.631 8.519 1.00 0.00 C ATOM 1480 OH TYR A 97 2.999 5.969 8.809 1.00 0.00 O ATOM 0 H TYR A 97 1.213 -0.658 8.203 1.00 0.00 H new ATOM 0 HA TYR A 97 2.377 0.635 5.811 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.466 -0.119 8.540 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.519 0.274 7.195 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.326 1.791 8.493 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.412 2.408 7.448 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.097 4.180 9.010 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.184 4.797 7.968 1.00 0.00 H new ATOM 0 HH TYR A 97 2.049 6.197 8.889 1.00 0.00 H new ATOM 1490 N LEU A 98 2.614 -1.653 4.800 1.00 0.00 N ATOM 1491 CA LEU A 98 2.968 -2.911 4.152 1.00 0.00 C ATOM 1492 C LEU A 98 4.024 -2.700 3.073 1.00 0.00 C ATOM 1493 O LEU A 98 3.992 -1.710 2.342 1.00 0.00 O ATOM 1494 CB LEU A 98 1.725 -3.559 3.541 1.00 0.00 C ATOM 1495 CG LEU A 98 1.114 -2.800 2.359 1.00 0.00 C ATOM 1496 CD1 LEU A 98 0.827 -3.746 1.204 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -0.154 -2.077 2.788 1.00 0.00 C ATOM 0 H LEU A 98 2.131 -0.988 4.196 1.00 0.00 H new ATOM 0 HA LEU A 98 3.384 -3.572 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.983 -4.566 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.968 -3.661 4.318 1.00 0.00 H new ATOM 0 HG LEU A 98 1.835 -2.057 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.393 -3.187 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.755 -4.216 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.126 -4.515 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.574 -1.543 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.880 -2.802 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.082 -1.367 3.580 1.00 0.00 H new ATOM 1509 N THR A 99 4.954 -3.644 2.975 1.00 0.00 N ATOM 1510 CA THR A 99 6.016 -3.572 1.981 1.00 0.00 C ATOM 1511 C THR A 99 5.848 -4.676 0.945 1.00 0.00 C ATOM 1512 O THR A 99 5.536 -5.815 1.288 1.00 0.00 O ATOM 1513 CB THR A 99 7.383 -3.691 2.655 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.360 -3.104 3.943 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.497 -3.033 1.869 1.00 0.00 C ATOM 0 H THR A 99 4.993 -4.469 3.574 1.00 0.00 H new ATOM 0 HA THR A 99 5.954 -2.607 1.479 1.00 0.00 H new ATOM 0 HB THR A 99 7.584 -4.761 2.713 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.274 -3.048 4.293 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.440 -3.154 2.403 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.574 -3.499 0.887 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.281 -1.971 1.751 1.00 0.00 H new ATOM 1523 N VAL A 100 6.050 -4.335 -0.323 1.00 0.00 N ATOM 1524 CA VAL A 100 5.913 -5.306 -1.400 1.00 0.00 C ATOM 1525 C VAL A 100 7.004 -5.124 -2.452 1.00 0.00 C ATOM 1526 O VAL A 100 7.585 -4.046 -2.578 1.00 0.00 O ATOM 1527 CB VAL A 100 4.524 -5.208 -2.072 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.430 -5.069 -1.023 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.468 -4.047 -3.058 1.00 0.00 C ATOM 0 H VAL A 100 6.308 -3.397 -0.629 1.00 0.00 H new ATOM 0 HA VAL A 100 6.017 -6.294 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 100 4.357 -6.130 -2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.460 -5.001 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.443 -5.939 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.602 -4.167 -0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.479 -4.004 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.666 -3.113 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.219 -4.192 -3.834 1.00 0.00 H new ATOM 1539 N GLU A 101 7.273 -6.183 -3.208 1.00 0.00 N ATOM 1540 CA GLU A 101 8.288 -6.135 -4.253 1.00 0.00 C ATOM 1541 C GLU A 101 7.673 -5.681 -5.572 1.00 0.00 C ATOM 1542 O GLU A 101 6.623 -6.177 -5.981 1.00 0.00 O ATOM 1543 CB GLU A 101 8.946 -7.505 -4.423 1.00 0.00 C ATOM 1544 CG GLU A 101 9.942 -7.841 -3.325 1.00 0.00 C ATOM 1545 CD GLU A 101 10.195 -9.331 -3.203 1.00 0.00 C ATOM 1546 OE1 GLU A 101 10.965 -9.872 -4.024 1.00 0.00 O ATOM 1547 OE2 GLU A 101 9.622 -9.957 -2.286 1.00 0.00 O1- ATOM 0 H GLU A 101 6.803 -7.084 -3.117 1.00 0.00 H new ATOM 0 HA GLU A 101 9.051 -5.415 -3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.171 -8.271 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.455 -7.538 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.884 -7.332 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.570 -7.460 -2.374 1.00 0.00 H new ATOM 1554 N VAL A 102 8.326 -4.729 -6.229 1.00 0.00 N ATOM 1555 CA VAL A 102 7.833 -4.204 -7.496 1.00 0.00 C ATOM 1556 C VAL A 102 8.836 -4.428 -8.622 1.00 0.00 C ATOM 1557 O VAL A 102 10.044 -4.489 -8.392 1.00 0.00 O ATOM 1558 CB VAL A 102 7.521 -2.700 -7.394 1.00 0.00 C ATOM 1559 CG1 VAL A 102 6.801 -2.216 -8.643 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.698 -2.407 -6.148 1.00 0.00 C ATOM 0 H VAL A 102 9.196 -4.306 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 102 6.916 -4.747 -7.724 1.00 0.00 H new ATOM 0 HB VAL A 102 8.464 -2.159 -7.314 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.589 -1.151 -8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.431 -2.387 -9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.865 -2.763 -8.759 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.488 -1.339 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.760 -2.960 -6.193 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.256 -2.712 -5.263 1.00 0.00 H new ATOM 1570 N ASN A 103 8.322 -4.545 -9.843 1.00 0.00 N ATOM 1571 CA ASN A 103 9.163 -4.757 -11.014 1.00 0.00 C ATOM 1572 C ASN A 103 8.907 -3.679 -12.063 1.00 0.00 C ATOM 1573 O ASN A 103 7.777 -3.218 -12.229 1.00 0.00 O ATOM 1574 CB ASN A 103 8.902 -6.140 -11.613 1.00 0.00 C ATOM 1575 CG ASN A 103 9.904 -6.501 -12.692 1.00 0.00 C ATOM 1576 OD1 ASN A 103 10.078 -5.767 -13.665 1.00 0.00 O ATOM 1577 ND2 ASN A 103 10.569 -7.639 -12.525 1.00 0.00 N ATOM 0 H ASN A 103 7.324 -4.496 -10.046 1.00 0.00 H new ATOM 0 HA ASN A 103 10.205 -4.698 -10.700 1.00 0.00 H new ATOM 0 HB2 ASN A 103 8.939 -6.889 -10.822 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.896 -6.168 -12.031 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.256 -7.935 -13.219 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.393 -8.217 -11.703 1.00 0.00 H new ATOM 1584 N ASP A 104 9.962 -3.277 -12.766 1.00 0.00 N ATOM 1585 CA ASP A 104 9.846 -2.250 -13.795 1.00 0.00 C ATOM 1586 C ASP A 104 10.540 -2.681 -15.083 1.00 0.00 C ATOM 1587 O ASP A 104 11.708 -2.365 -15.307 1.00 0.00 O ATOM 1588 CB ASP A 104 10.443 -0.932 -13.298 1.00 0.00 C ATOM 1589 CG ASP A 104 9.898 0.268 -14.047 1.00 0.00 C ATOM 1590 OD1 ASP A 104 8.669 0.487 -14.004 1.00 0.00 O ATOM 1591 OD2 ASP A 104 10.701 0.989 -14.676 1.00 0.00 O1- ATOM 0 H ASP A 104 10.905 -3.646 -12.642 1.00 0.00 H new ATOM 0 HA ASP A 104 8.787 -2.107 -14.008 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.233 -0.819 -12.234 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.527 -0.963 -13.407 1.00 0.00 H new ATOM 1596 N ALA A 105 9.811 -3.403 -15.930 1.00 0.00 N ATOM 1597 CA ALA A 105 10.352 -3.876 -17.200 1.00 0.00 C ATOM 1598 C ALA A 105 11.669 -4.619 -17.001 1.00 0.00 C ATOM 1599 O ALA A 105 12.540 -4.602 -17.871 1.00 0.00 O ATOM 1600 CB ALA A 105 10.543 -2.709 -18.157 1.00 0.00 C ATOM 0 H ALA A 105 8.842 -3.673 -15.759 1.00 0.00 H new ATOM 0 HA ALA A 105 9.636 -4.576 -17.631 1.00 0.00 H new ATOM 0 HB1 ALA A 105 10.947 -3.075 -19.101 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.583 -2.225 -18.337 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.236 -1.990 -17.720 1.00 0.00 H new ATOM 1606 N GLY A 106 11.808 -5.272 -15.852 1.00 0.00 N ATOM 1607 CA GLY A 106 13.022 -6.011 -15.562 1.00 0.00 C ATOM 1608 C GLY A 106 13.625 -5.634 -14.223 1.00 0.00 C ATOM 1609 O GLY A 106 14.119 -6.493 -13.493 1.00 0.00 O ATOM 0 H GLY A 106 11.102 -5.302 -15.117 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.804 -7.079 -15.571 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.752 -5.828 -16.350 1.00 0.00 H new ATOM 1613 N LYS A 107 13.583 -4.345 -13.899 1.00 0.00 N ATOM 1614 CA LYS A 107 14.129 -3.858 -12.638 1.00 0.00 C ATOM 1615 C LYS A 107 13.269 -4.315 -11.465 1.00 0.00 C ATOM 1616 O LYS A 107 12.146 -3.844 -11.285 1.00 0.00 O ATOM 1617 CB LYS A 107 14.222 -2.331 -12.654 1.00 0.00 C ATOM 1618 CG LYS A 107 15.536 -1.808 -13.210 1.00 0.00 C ATOM 1619 CD LYS A 107 15.566 -0.288 -13.231 1.00 0.00 C ATOM 1620 CE LYS A 107 15.750 0.285 -11.835 1.00 0.00 C ATOM 1621 NZ LYS A 107 14.978 1.544 -11.645 1.00 0.00 N1+ ATOM 0 H LYS A 107 13.177 -3.621 -14.491 1.00 0.00 H new ATOM 0 HA LYS A 107 15.130 -4.273 -12.517 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.401 -1.931 -13.249 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.092 -1.957 -11.639 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.362 -2.181 -12.605 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.683 -2.190 -14.220 1.00 0.00 H new ATOM 0 HD2 LYS A 107 16.377 0.052 -13.875 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.638 0.089 -13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.432 -0.451 -11.096 1.00 0.00 H new ATOM 0 HE3 LYS A 107 16.808 0.478 -11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.130 1.902 -10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 15.298 2.255 -12.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.965 1.355 -11.788 1.00 0.00 H new ATOM 1635 N LYS A 108 13.803 -5.236 -10.670 1.00 0.00 N ATOM 1636 CA LYS A 108 13.084 -5.760 -9.514 1.00 0.00 C ATOM 1637 C LYS A 108 13.643 -5.183 -8.218 1.00 0.00 C ATOM 1638 O LYS A 108 14.858 -5.082 -8.046 1.00 0.00 O ATOM 1639 CB LYS A 108 13.171 -7.288 -9.487 1.00 0.00 C ATOM 1640 CG LYS A 108 12.448 -7.921 -8.310 1.00 0.00 C ATOM 1641 CD LYS A 108 10.982 -8.169 -8.625 1.00 0.00 C ATOM 1642 CE LYS A 108 10.240 -8.719 -7.418 1.00 0.00 C ATOM 1643 NZ LYS A 108 10.082 -10.198 -7.489 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.732 -5.635 -10.805 1.00 0.00 H new ATOM 0 HA LYS A 108 12.039 -5.463 -9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.754 -7.683 -10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.220 -7.583 -9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.930 -8.863 -8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.529 -7.270 -7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.515 -7.238 -8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.900 -8.871 -9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.780 -8.455 -6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.257 -8.252 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.678 -10.547 -6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.446 -10.442 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.011 -10.639 -7.645 1.00 0.00 H new ATOM 1657 N LYS A 109 12.750 -4.808 -7.308 1.00 0.00 N ATOM 1658 CA LYS A 109 13.160 -4.243 -6.027 1.00 0.00 C ATOM 1659 C LYS A 109 12.033 -4.327 -5.003 1.00 0.00 C ATOM 1660 O LYS A 109 10.920 -4.747 -5.321 1.00 0.00 O ATOM 1661 CB LYS A 109 13.595 -2.787 -6.203 1.00 0.00 C ATOM 1662 CG LYS A 109 15.073 -2.628 -6.520 1.00 0.00 C ATOM 1663 CD LYS A 109 15.601 -1.283 -6.048 1.00 0.00 C ATOM 1664 CE LYS A 109 16.943 -0.957 -6.685 1.00 0.00 C ATOM 1665 NZ LYS A 109 17.572 0.245 -6.071 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.741 -4.885 -7.433 1.00 0.00 H new ATOM 0 HA LYS A 109 14.003 -4.827 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.010 -2.336 -7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.366 -2.235 -5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.637 -3.429 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.228 -2.725 -7.595 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.881 -0.502 -6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 109 15.705 -1.292 -4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 109 17.612 -1.811 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 109 16.807 -0.790 -7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 18.485 0.434 -6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 16.945 1.066 -6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 17.726 0.076 -5.056 1.00 0.00 H new ATOM 1679 N LEU A 110 12.331 -3.922 -3.773 1.00 0.00 N ATOM 1680 CA LEU A 110 11.349 -3.947 -2.697 1.00 0.00 C ATOM 1681 C LEU A 110 11.051 -2.534 -2.206 1.00 0.00 C ATOM 1682 O LEU A 110 11.950 -1.817 -1.768 1.00 0.00 O ATOM 1683 CB LEU A 110 11.854 -4.811 -1.536 1.00 0.00 C ATOM 1684 CG LEU A 110 11.052 -4.697 -0.236 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.565 -4.864 -0.508 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.530 -5.728 0.775 1.00 0.00 C ATOM 0 H LEU A 110 13.248 -3.572 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 110 10.427 -4.380 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.853 -5.854 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.890 -4.542 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 110 11.213 -3.703 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.012 -4.780 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.232 -4.088 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.384 -5.844 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.950 -5.634 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.398 -6.729 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.585 -5.561 0.994 1.00 0.00 H new ATOM 1698 N TYR A 111 9.784 -2.141 -2.283 1.00 0.00 N ATOM 1699 CA TYR A 111 9.370 -0.813 -1.847 1.00 0.00 C ATOM 1700 C TYR A 111 8.300 -0.904 -0.763 1.00 0.00 C ATOM 1701 O TYR A 111 7.432 -1.776 -0.803 1.00 0.00 O ATOM 1702 CB TYR A 111 8.844 -0.005 -3.035 1.00 0.00 C ATOM 1703 CG TYR A 111 9.704 -0.110 -4.277 1.00 0.00 C ATOM 1704 CD1 TYR A 111 11.090 -0.175 -4.187 1.00 0.00 C ATOM 1705 CD2 TYR A 111 9.127 -0.141 -5.540 1.00 0.00 C ATOM 1706 CE1 TYR A 111 11.875 -0.268 -5.321 1.00 0.00 C ATOM 1707 CE2 TYR A 111 9.905 -0.235 -6.678 1.00 0.00 C ATOM 1708 CZ TYR A 111 11.278 -0.297 -6.564 1.00 0.00 C ATOM 1709 OH TYR A 111 12.056 -0.390 -7.695 1.00 0.00 O ATOM 0 H TYR A 111 9.027 -2.723 -2.643 1.00 0.00 H new ATOM 0 HA TYR A 111 10.240 -0.307 -1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.835 -0.343 -3.274 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.769 1.043 -2.744 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.561 -0.152 -3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.052 -0.091 -5.634 1.00 0.00 H new ATOM 0 HE1 TYR A 111 12.950 -0.318 -5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.440 -0.260 -7.652 1.00 0.00 H new ATOM 0 HH TYR A 111 11.480 -0.400 -8.488 1.00 0.00 H new ATOM 1719 N GLU A 112 8.371 0.004 0.206 1.00 0.00 N ATOM 1720 CA GLU A 112 7.411 0.031 1.304 1.00 0.00 C ATOM 1721 C GLU A 112 6.261 0.986 1.000 1.00 0.00 C ATOM 1722 O GLU A 112 6.467 2.065 0.444 1.00 0.00 O ATOM 1723 CB GLU A 112 8.104 0.445 2.603 1.00 0.00 C ATOM 1724 CG GLU A 112 7.493 -0.184 3.845 1.00 0.00 C ATOM 1725 CD GLU A 112 7.359 0.799 4.991 1.00 0.00 C ATOM 1726 OE1 GLU A 112 6.981 1.962 4.735 1.00 0.00 O1- ATOM 1727 OE2 GLU A 112 7.634 0.407 6.145 1.00 0.00 O ATOM 0 H GLU A 112 9.084 0.732 0.253 1.00 0.00 H new ATOM 0 HA GLU A 112 7.003 -0.973 1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.157 0.170 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.063 1.530 2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.510 -0.585 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.110 -1.025 4.163 1.00 0.00 H new ATOM 1734 N ALA A 113 5.051 0.581 1.370 1.00 0.00 N ATOM 1735 CA ALA A 113 3.866 1.399 1.139 1.00 0.00 C ATOM 1736 C ALA A 113 3.026 1.520 2.405 1.00 0.00 C ATOM 1737 O ALA A 113 2.682 0.517 3.032 1.00 0.00 O ATOM 1738 CB ALA A 113 3.034 0.812 0.008 1.00 0.00 C ATOM 0 H ALA A 113 4.865 -0.309 1.831 1.00 0.00 H new ATOM 0 HA ALA A 113 4.195 2.399 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.152 1.432 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.630 0.782 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.723 -0.199 0.272 1.00 0.00 H new ATOM 1744 N LYS A 114 2.693 2.753 2.775 1.00 0.00 N ATOM 1745 CA LYS A 114 1.886 2.999 3.965 1.00 0.00 C ATOM 1746 C LYS A 114 0.553 3.638 3.593 1.00 0.00 C ATOM 1747 O LYS A 114 0.511 4.753 3.074 1.00 0.00 O ATOM 1748 CB LYS A 114 2.639 3.892 4.954 1.00 0.00 C ATOM 1749 CG LYS A 114 3.066 5.221 4.362 1.00 0.00 C ATOM 1750 CD LYS A 114 4.312 5.762 5.045 1.00 0.00 C ATOM 1751 CE LYS A 114 5.568 5.066 4.546 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.759 5.957 4.611 1.00 0.00 N1+ ATOM 0 H LYS A 114 2.969 3.595 2.269 1.00 0.00 H new ATOM 0 HA LYS A 114 1.689 2.039 4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.005 4.076 5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.522 3.362 5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.258 5.100 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.254 5.942 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.392 6.834 4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.224 5.628 6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.750 4.173 5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.417 4.737 3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.362 5.792 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.450 6.950 4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.299 5.752 5.476 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.535 2.922 3.860 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.871 3.417 3.551 1.00 0.00 C ATOM 1768 C VAL A 115 -2.612 3.833 4.817 1.00 0.00 C ATOM 1769 O VAL A 115 -2.382 3.282 5.893 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.705 2.355 2.809 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -4.017 2.950 2.321 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -1.913 1.769 1.650 1.00 0.00 C ATOM 0 H VAL A 115 -0.517 1.997 4.290 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.743 4.286 2.906 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.936 1.549 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.592 2.185 1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.590 3.316 3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.811 3.776 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.518 1.021 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.649 2.563 0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.004 1.303 2.030 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.502 4.811 4.680 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.278 5.305 5.812 1.00 0.00 C ATOM 1784 C TRP A 116 -5.773 5.238 5.520 1.00 0.00 C ATOM 1785 O TRP A 116 -6.206 5.476 4.391 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.874 6.742 6.143 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.573 7.298 7.347 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.661 6.725 8.583 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -5.281 8.540 7.428 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -5.381 7.535 9.428 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.772 8.656 8.742 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.547 9.566 6.516 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.513 9.757 9.165 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.283 10.658 6.938 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.758 10.746 8.253 1.00 0.00 C ATOM 0 H TRP A 116 -3.704 5.277 3.796 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.067 4.668 6.671 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.797 6.779 6.309 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.087 7.378 5.284 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -4.228 5.774 8.857 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.590 7.335 10.406 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.184 9.507 5.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.881 9.827 10.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.495 11.456 6.242 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.329 11.612 8.552 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.554 4.913 6.546 1.00 0.00 N ATOM 1807 CA GLU A 117 -8.002 4.812 6.407 1.00 0.00 C ATOM 1808 C GLU A 117 -8.697 5.117 7.731 1.00 0.00 C ATOM 1809 O GLU A 117 -8.409 4.493 8.752 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.393 3.414 5.926 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.889 3.235 5.727 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.535 2.439 6.844 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.866 1.540 7.397 1.00 0.00 O ATOM 1814 OE2 GLU A 117 -11.710 2.715 7.167 1.00 0.00 O1- ATOM 0 H GLU A 117 -6.207 4.715 7.484 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.323 5.547 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.883 3.207 4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.041 2.678 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.363 4.214 5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.068 2.732 4.777 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.611 6.081 7.708 1.00 0.00 N ATOM 1822 CA GLN A 118 -10.344 6.468 8.905 1.00 0.00 C ATOM 1823 C GLN A 118 -11.735 5.840 8.919 1.00 0.00 C ATOM 1824 O GLN A 118 -12.145 5.195 7.955 1.00 0.00 O ATOM 1825 CB GLN A 118 -10.462 7.991 8.985 1.00 0.00 C ATOM 1826 CG GLN A 118 -9.230 8.729 8.484 1.00 0.00 C ATOM 1827 CD GLN A 118 -9.272 8.986 6.990 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -10.176 9.654 6.488 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -8.290 8.455 6.271 1.00 0.00 N ATOM 0 H GLN A 118 -9.861 6.609 6.872 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.791 6.105 9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.327 8.310 8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.650 8.278 10.020 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.141 9.679 9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.340 8.147 8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.561 7.908 6.729 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.265 8.594 5.261 1.00 0.00 H new ATOM 1838 N VAL A 119 -12.455 6.035 10.019 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.800 5.490 10.160 1.00 0.00 C ATOM 1840 C VAL A 119 -14.835 6.607 10.263 1.00 0.00 C ATOM 1841 O VAL A 119 -15.938 6.497 9.729 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.910 4.579 11.399 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -13.636 5.366 12.672 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -15.278 3.914 11.456 1.00 0.00 C ATOM 0 H VAL A 119 -12.129 6.567 10.826 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.999 4.897 9.268 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.156 3.797 11.317 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.719 4.704 13.534 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.631 5.785 12.631 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -14.362 6.174 12.764 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.336 3.275 12.337 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -16.052 4.679 11.511 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.427 3.311 10.560 1.00 0.00 H new ATOM 1854 N TRP A 120 -14.469 7.683 10.953 1.00 0.00 N ATOM 1855 CA TRP A 120 -15.363 8.823 11.127 1.00 0.00 C ATOM 1856 C TRP A 120 -15.295 9.762 9.925 1.00 0.00 C ATOM 1857 O TRP A 120 -16.213 10.547 9.688 1.00 0.00 O ATOM 1858 CB TRP A 120 -15.005 9.586 12.403 1.00 0.00 C ATOM 1859 CG TRP A 120 -13.568 10.005 12.457 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -13.022 11.135 11.922 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -12.491 9.295 13.080 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -11.672 11.173 12.175 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -11.322 10.054 12.884 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -12.403 8.091 13.786 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -10.081 9.649 13.368 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -11.170 7.690 14.265 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -10.024 8.467 14.055 1.00 0.00 C ATOM 0 H TRP A 120 -13.559 7.789 11.401 1.00 0.00 H new ATOM 0 HA TRP A 120 -16.381 8.443 11.209 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -15.638 10.470 12.479 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -15.227 8.960 13.267 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -13.571 11.890 11.379 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -11.034 11.914 11.883 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -13.282 7.486 13.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -9.196 10.246 13.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -11.089 6.761 14.811 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -9.076 8.126 14.443 1.00 0.00 H new ATOM 1878 N MET A 121 -14.204 9.676 9.169 1.00 0.00 N ATOM 1879 CA MET A 121 -14.021 10.517 7.993 1.00 0.00 C ATOM 1880 C MET A 121 -14.412 9.765 6.725 1.00 0.00 C ATOM 1881 O MET A 121 -14.772 10.372 5.716 1.00 0.00 O ATOM 1882 CB MET A 121 -12.567 10.984 7.896 1.00 0.00 C ATOM 1883 CG MET A 121 -12.298 11.897 6.709 1.00 0.00 C ATOM 1884 SD MET A 121 -11.968 13.601 7.200 1.00 0.00 S ATOM 1885 CE MET A 121 -10.355 13.858 6.465 1.00 0.00 C ATOM 0 H MET A 121 -13.434 9.032 9.351 1.00 0.00 H new ATOM 0 HA MET A 121 -14.668 11.388 8.093 1.00 0.00 H new ATOM 0 HB2 MET A 121 -12.300 11.508 8.814 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.918 10.111 7.827 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.446 11.514 6.147 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.157 11.877 6.038 1.00 0.00 H new ATOM 0 HE1 MET A 121 -10.014 14.870 6.681 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.648 13.140 6.880 1.00 0.00 H new ATOM 0 HE3 MET A 121 -10.421 13.720 5.386 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.338 8.439 6.785 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.684 7.600 5.645 1.00 0.00 C ATOM 1897 C ASN A 122 -13.756 7.875 4.467 1.00 0.00 C ATOM 1898 O ASN A 122 -14.197 7.961 3.321 1.00 0.00 O ATOM 1899 CB ASN A 122 -16.139 7.833 5.233 1.00 0.00 C ATOM 1900 CG ASN A 122 -17.105 6.947 5.997 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -17.022 6.986 7.322 1.00 0.00 O flip ATOM 1902 ND2 ASN A 122 -17.916 6.238 5.403 1.00 0.00 N flip ATOM 0 H ASN A 122 -14.041 7.923 7.613 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.564 6.558 5.943 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.398 8.878 5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.246 7.646 4.165 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -17.944 6.240 4.383 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -18.560 5.648 5.930 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.467 8.013 4.757 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.473 8.279 3.724 1.00 0.00 C ATOM 1911 C PHE A 123 -10.321 7.283 3.811 1.00 0.00 C ATOM 1912 O PHE A 123 -9.877 6.928 4.903 1.00 0.00 O ATOM 1913 CB PHE A 123 -10.943 9.709 3.853 1.00 0.00 C ATOM 1914 CG PHE A 123 -10.952 10.471 2.558 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -10.266 9.994 1.453 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -11.647 11.665 2.448 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -10.273 10.694 0.261 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -11.658 12.369 1.259 1.00 0.00 C ATOM 1919 CZ PHE A 123 -10.970 11.883 0.164 1.00 0.00 C ATOM 0 H PHE A 123 -12.086 7.945 5.701 1.00 0.00 H new ATOM 0 HA PHE A 123 -11.953 8.166 2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.545 10.246 4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.924 9.677 4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -9.720 9.065 1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -12.186 12.050 3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -9.734 10.312 -0.593 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -12.204 13.298 1.186 1.00 0.00 H new ATOM 0 HZ PHE A 123 -10.977 12.432 -0.766 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.842 6.838 2.655 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.739 5.882 2.600 1.00 0.00 C ATOM 1931 C ARG A 124 -7.875 6.125 1.367 1.00 0.00 C ATOM 1932 O ARG A 124 -8.380 6.188 0.246 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.265 4.439 2.596 1.00 0.00 C ATOM 1934 CG ARG A 124 -10.774 4.325 2.427 1.00 0.00 C ATOM 1935 CD ARG A 124 -11.229 4.881 1.087 1.00 0.00 C ATOM 1936 NE ARG A 124 -11.489 3.821 0.115 1.00 0.00 N ATOM 1937 CZ ARG A 124 -11.608 4.029 -1.194 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -11.491 5.254 -1.692 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -11.844 3.010 -2.008 1.00 0.00 N ATOM 0 H ARG A 124 -10.199 7.123 1.743 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.127 6.027 3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.778 3.889 1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.978 3.957 3.531 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -11.072 3.280 2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -11.273 4.863 3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -12.133 5.473 1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.466 5.553 0.695 1.00 0.00 H new ATOM 0 HE ARG A 124 -11.585 2.866 0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -11.309 6.042 -1.070 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.583 5.407 -2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.934 2.067 -1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.935 3.169 -3.011 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.570 6.262 1.581 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.642 6.499 0.480 1.00 0.00 C ATOM 1955 C GLN A 125 -4.205 6.203 0.895 1.00 0.00 C ATOM 1956 O GLN A 125 -3.926 5.949 2.067 1.00 0.00 O ATOM 1957 CB GLN A 125 -5.756 7.945 -0.006 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.342 8.972 1.035 1.00 0.00 C ATOM 1959 CD GLN A 125 -6.370 9.131 2.138 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -7.539 8.783 1.968 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -5.940 9.660 3.277 1.00 0.00 N ATOM 0 H GLN A 125 -6.133 6.213 2.501 1.00 0.00 H new ATOM 0 HA GLN A 125 -5.908 5.824 -0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.137 8.071 -0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.786 8.139 -0.305 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.388 8.677 1.472 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.185 9.935 0.548 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.963 9.934 3.375 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.587 9.792 4.054 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.297 6.243 -0.075 1.00 0.00 N ATOM 1971 CA LEU A 126 -1.886 5.984 0.186 1.00 0.00 C ATOM 1972 C LEU A 126 -1.219 7.209 0.803 1.00 0.00 C ATOM 1973 O LEU A 126 -1.425 8.335 0.348 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.170 5.592 -1.109 1.00 0.00 C ATOM 1975 CG LEU A 126 0.350 5.433 -0.991 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.817 4.187 -1.729 1.00 0.00 C ATOM 1977 CD2 LEU A 126 1.058 6.668 -1.527 1.00 0.00 C ATOM 0 H LEU A 126 -3.514 6.452 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.815 5.158 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.591 4.653 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.383 6.347 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 126 0.603 5.321 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.899 4.092 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.336 3.308 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.551 4.267 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.136 6.538 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.797 6.810 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.748 7.542 -0.954 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.423 6.983 1.841 1.00 0.00 N ATOM 1990 CA GLN A 127 0.270 8.070 2.522 1.00 0.00 C ATOM 1991 C GLN A 127 1.645 8.313 1.908 1.00 0.00 C ATOM 1992 O GLN A 127 1.926 9.402 1.407 1.00 0.00 O ATOM 1993 CB GLN A 127 0.410 7.757 4.015 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.619 8.463 4.886 1.00 0.00 C ATOM 1995 CD GLN A 127 -2.028 8.367 4.331 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -2.802 9.321 4.405 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.368 7.211 3.771 1.00 0.00 N ATOM 0 H GLN A 127 -0.241 6.058 2.229 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.323 8.976 2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.320 6.681 4.162 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.409 8.042 4.345 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.598 8.031 5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.344 9.513 4.986 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.694 6.446 3.731 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.303 7.089 3.381 1.00 0.00 H new ATOM 2006 N GLU A 128 2.499 7.296 1.952 1.00 0.00 N ATOM 2007 CA GLU A 128 3.845 7.410 1.401 1.00 0.00 C ATOM 2008 C GLU A 128 4.315 6.086 0.807 1.00 0.00 C ATOM 2009 O GLU A 128 3.826 5.014 1.172 1.00 0.00 O ATOM 2010 CB GLU A 128 4.830 7.871 2.479 1.00 0.00 C ATOM 2011 CG GLU A 128 4.249 8.884 3.454 1.00 0.00 C ATOM 2012 CD GLU A 128 4.096 10.262 2.840 1.00 0.00 C ATOM 2013 OE1 GLU A 128 4.893 10.603 1.941 1.00 0.00 O1- ATOM 2014 OE2 GLU A 128 3.179 10.999 3.259 1.00 0.00 O ATOM 0 H GLU A 128 2.285 6.387 2.362 1.00 0.00 H new ATOM 0 HA GLU A 128 3.812 8.153 0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.175 7.001 3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.704 8.307 1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.276 8.534 3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.893 8.950 4.331 1.00 0.00 H new ATOM 2021 N PHE A 129 5.275 6.175 -0.109 1.00 0.00 N ATOM 2022 CA PHE A 129 5.832 4.997 -0.763 1.00 0.00 C ATOM 2023 C PHE A 129 7.349 5.116 -0.865 1.00 0.00 C ATOM 2024 O PHE A 129 7.867 5.909 -1.651 1.00 0.00 O ATOM 2025 CB PHE A 129 5.225 4.829 -2.158 1.00 0.00 C ATOM 2026 CG PHE A 129 5.265 3.416 -2.668 1.00 0.00 C ATOM 2027 CD1 PHE A 129 6.362 2.953 -3.377 1.00 0.00 C ATOM 2028 CD2 PHE A 129 4.204 2.554 -2.442 1.00 0.00 C ATOM 2029 CE1 PHE A 129 6.400 1.655 -3.851 1.00 0.00 C ATOM 2030 CE2 PHE A 129 4.236 1.255 -2.914 1.00 0.00 C ATOM 2031 CZ PHE A 129 5.336 0.806 -3.620 1.00 0.00 C ATOM 0 H PHE A 129 5.685 7.057 -0.416 1.00 0.00 H new ATOM 0 HA PHE A 129 5.588 4.120 -0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 129 4.190 5.169 -2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.759 5.473 -2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.196 3.614 -3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 129 3.342 2.901 -1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 129 7.261 1.305 -4.401 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.403 0.592 -2.731 1.00 0.00 H new ATOM 0 HZ PHE A 129 5.363 -0.208 -3.991 1.00 0.00 H new ATOM 2041 N THR A 130 8.058 4.331 -0.060 1.00 0.00 N ATOM 2042 CA THR A 130 9.517 4.360 -0.057 1.00 0.00 C ATOM 2043 C THR A 130 10.088 3.217 -0.888 1.00 0.00 C ATOM 2044 O THR A 130 9.497 2.142 -0.973 1.00 0.00 O ATOM 2045 CB THR A 130 10.046 4.277 1.376 1.00 0.00 C ATOM 2046 OG1 THR A 130 9.943 2.954 1.872 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.314 5.187 2.339 1.00 0.00 C ATOM 0 H THR A 130 7.647 3.668 0.597 1.00 0.00 H new ATOM 0 HA THR A 130 9.836 5.302 -0.502 1.00 0.00 H new ATOM 0 HB THR A 130 11.086 4.598 1.319 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.288 2.921 2.789 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.739 5.079 3.337 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.417 6.222 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.258 4.917 2.363 1.00 0.00 H new ATOM 2055 N TYR A 131 11.243 3.458 -1.501 1.00 0.00 N ATOM 2056 CA TYR A 131 11.895 2.449 -2.327 1.00 0.00 C ATOM 2057 C TYR A 131 13.106 1.858 -1.611 1.00 0.00 C ATOM 2058 O TYR A 131 14.124 2.528 -1.437 1.00 0.00 O ATOM 2059 CB TYR A 131 12.323 3.053 -3.665 1.00 0.00 C ATOM 2060 CG TYR A 131 13.124 4.328 -3.526 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.491 5.560 -3.418 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.512 4.300 -3.502 1.00 0.00 C ATOM 2063 CE1 TYR A 131 13.219 6.728 -3.291 1.00 0.00 C ATOM 2064 CE2 TYR A 131 15.248 5.463 -3.375 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.597 6.674 -3.270 1.00 0.00 C ATOM 2066 OH TYR A 131 15.325 7.834 -3.143 1.00 0.00 O ATOM 0 H TYR A 131 11.746 4.343 -1.441 1.00 0.00 H new ATOM 0 HA TYR A 131 11.179 1.648 -2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.915 2.320 -4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.435 3.255 -4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.412 5.606 -3.434 1.00 0.00 H new ATOM 0 HD2 TYR A 131 15.025 3.353 -3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.712 7.678 -3.209 1.00 0.00 H new ATOM 0 HE2 TYR A 131 16.327 5.423 -3.358 1.00 0.00 H new ATOM 0 HH TYR A 131 16.282 7.622 -3.144 1.00 0.00 H new ATOM 2076 N LEU A 132 12.987 0.601 -1.198 1.00 0.00 N ATOM 2077 CA LEU A 132 14.072 -0.081 -0.501 1.00 0.00 C ATOM 2078 C LEU A 132 14.996 -0.789 -1.487 1.00 0.00 C ATOM 2079 O LEU A 132 14.882 -0.608 -2.699 1.00 0.00 O ATOM 2080 CB LEU A 132 13.511 -1.092 0.504 1.00 0.00 C ATOM 2081 CG LEU A 132 12.194 -0.689 1.171 1.00 0.00 C ATOM 2082 CD1 LEU A 132 11.808 -1.698 2.241 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.302 0.707 1.767 1.00 0.00 C ATOM 0 H LEU A 132 12.150 0.033 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 132 14.650 0.671 0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.364 -2.044 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.257 -1.259 1.281 1.00 0.00 H new ATOM 0 HG LEU A 132 11.413 -0.678 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 132 10.869 -1.395 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.688 -2.682 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.590 -1.741 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.356 0.976 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.096 0.723 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.532 1.423 0.978 1.00 0.00 H new ATOM 2095 N GLY A 133 15.910 -1.596 -0.957 1.00 0.00 N ATOM 2096 CA GLY A 133 16.840 -2.320 -1.803 1.00 0.00 C ATOM 2097 C GLY A 133 16.461 -3.779 -1.964 1.00 0.00 C ATOM 2098 O GLY A 133 16.979 -4.642 -1.256 1.00 0.00 O ATOM 0 H GLY A 133 16.023 -1.761 0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 133 16.878 -1.847 -2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.841 -2.253 -1.378 1.00 0.00 H new ATOM 2102 N ASP A 134 15.552 -4.051 -2.900 1.00 0.00 N ATOM 2103 CA ASP A 134 15.088 -5.412 -3.167 1.00 0.00 C ATOM 2104 C ASP A 134 14.736 -6.150 -1.876 1.00 0.00 C ATOM 2105 O ASP A 134 14.776 -5.577 -0.788 1.00 0.00 O ATOM 2106 CB ASP A 134 16.146 -6.195 -3.954 1.00 0.00 C ATOM 2107 CG ASP A 134 17.383 -6.505 -3.132 1.00 0.00 C ATOM 2108 OD1 ASP A 134 17.345 -7.473 -2.344 1.00 0.00 O ATOM 2109 OD2 ASP A 134 18.389 -5.779 -3.276 1.00 0.00 O1- ATOM 0 H ASP A 134 15.119 -3.340 -3.490 1.00 0.00 H new ATOM 0 HA ASP A 134 14.181 -5.339 -3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.710 -7.128 -4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 134 16.435 -5.621 -4.834 1.00 0.00 H new ATOM 2114 N ALA A 135 14.387 -7.426 -2.008 1.00 0.00 N ATOM 2115 CA ALA A 135 14.025 -8.242 -0.856 1.00 0.00 C ATOM 2116 C ALA A 135 14.797 -9.557 -0.851 1.00 0.00 C ATOM 2117 O ALA A 135 14.503 -10.412 0.012 1.00 0.00 O ATOM 2118 CB ALA A 135 12.527 -8.508 -0.847 1.00 0.00 C ATOM 2119 OXT ALA A 135 15.688 -9.723 -1.710 1.00 0.00 O ATOM 0 H ALA A 135 14.347 -7.916 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 135 14.290 -7.691 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.271 -9.119 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.990 -7.561 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 135 12.246 -9.035 -1.759 1.00 0.00 H new TER 2125 ALA A 135