USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 729 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 18 ASN : amide:sc= -1.84! K(o=-5.3!,f=-3.6) USER MOD Set 1.2: A 87 GLN : amide:sc= -3.45! C(o=-5.3!,f=-9.8!) USER MOD Set 2.1: A 80 MET CE :methyl -121:sc= -2.74! (180deg=-2.47!) USER MOD Set 2.2: A 84 GLN : amide:sc= -2.59! K(o=-5.3!,f=-2.4) USER MOD Set 3.1: A 20 THR OG1 : rot 180:sc= -1.23 USER MOD Set 3.2: A 89 GLN : amide:sc=-0.00654 K(o=-1.2,f=-2.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00122 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.17) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -153:sc=-0.00953 (180deg=-0.659) USER MOD Single : A 23 ASN : amide:sc= -0.866 X(o=-0.87,f=-0.95) USER MOD Single : A 26 GLN : amide:sc= -0.864 K(o=-0.86,f=-3.9!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0285 USER MOD Single : A 44 MET CE :methyl 174:sc= -1.32 (180deg=-1.57) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= -1.72! (180deg=-2.22!) USER MOD Single : A 48 SER OG : rot 177:sc= 0.557 USER MOD Single : A 52 ASN : amide:sc= -0.0554 X(o=-0.055,f=-0.38) USER MOD Single : A 53 THR OG1 : rot 38:sc= 0.122 USER MOD Single : A 55 GLN : amide:sc= -2.26! C(o=-2.3!,f=-7.5!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -17:sc= 0.909 USER MOD Single : A 63 ASN : amide:sc= -0.62 K(o=-0.62,f=-1.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.754 K(o=0.75,f=0) USER MOD Single : A 74 TYR OH : rot -117:sc= -0.635 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -1.18 K(o=-1.2,f=-1.9) USER MOD Single : A 90 MET CE :methyl -140:sc= -0.235 (180deg=-1.82!) USER MOD Single : A 91 GLN : amide:sc=-0.00107 X(o=-0.0011,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.776 K(o=-0.78,f=-0.093) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.291 -19.278 26.685 1.00 0.00 N ATOM 2 CA GLY A 1 -4.145 -20.153 26.508 1.00 0.00 C ATOM 3 C GLY A 1 -4.001 -20.579 25.046 1.00 0.00 C ATOM 4 O GLY A 1 -4.767 -21.409 24.559 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.367 -19.003 27.685 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.171 -18.426 26.100 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.157 -19.777 26.397 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.239 -19.641 26.832 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.256 -21.035 27.138 1.00 0.00 H new ATOM 8 N SER A 2 -3.013 -19.992 24.386 1.00 0.00 N ATOM 9 CA SER A 2 -2.759 -20.300 22.989 1.00 0.00 C ATOM 10 C SER A 2 -1.725 -21.423 22.881 1.00 0.00 C ATOM 11 O SER A 2 -0.525 -21.181 23.002 1.00 0.00 O ATOM 12 CB SER A 2 -2.279 -19.061 22.231 1.00 0.00 C ATOM 13 OG SER A 2 -2.571 -19.141 20.838 1.00 0.00 O ATOM 0 H SER A 2 -2.379 -19.305 24.793 1.00 0.00 H new ATOM 0 HA SER A 2 -3.693 -20.630 22.535 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.753 -18.173 22.650 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.204 -18.945 22.370 1.00 0.00 H new ATOM 0 HG SER A 2 -2.251 -18.331 20.390 1.00 0.00 H new ATOM 19 N SER A 3 -2.228 -22.627 22.654 1.00 0.00 N ATOM 20 CA SER A 3 -1.364 -23.788 22.528 1.00 0.00 C ATOM 21 C SER A 3 -2.202 -25.037 22.246 1.00 0.00 C ATOM 22 O SER A 3 -3.299 -25.186 22.781 1.00 0.00 O ATOM 23 CB SER A 3 -0.522 -23.988 23.790 1.00 0.00 C ATOM 24 OG SER A 3 0.015 -25.305 23.871 1.00 0.00 O ATOM 0 H SER A 3 -3.224 -22.824 22.554 1.00 0.00 H new ATOM 0 HA SER A 3 -0.684 -23.618 21.693 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.292 -23.263 23.801 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.135 -23.792 24.670 1.00 0.00 H new ATOM 0 HG SER A 3 0.547 -25.392 24.689 1.00 0.00 H new ATOM 30 N GLY A 4 -1.652 -25.902 21.406 1.00 0.00 N ATOM 31 CA GLY A 4 -2.335 -27.133 21.047 1.00 0.00 C ATOM 32 C GLY A 4 -3.297 -26.905 19.879 1.00 0.00 C ATOM 33 O GLY A 4 -4.316 -26.233 20.031 1.00 0.00 O ATOM 0 H GLY A 4 -0.742 -25.775 20.964 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.603 -27.894 20.777 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.886 -27.512 21.908 1.00 0.00 H new ATOM 37 N SER A 5 -2.939 -27.479 18.739 1.00 0.00 N ATOM 38 CA SER A 5 -3.758 -27.347 17.546 1.00 0.00 C ATOM 39 C SER A 5 -3.141 -28.147 16.397 1.00 0.00 C ATOM 40 O SER A 5 -1.941 -28.051 16.143 1.00 0.00 O ATOM 41 CB SER A 5 -3.916 -25.879 17.146 1.00 0.00 C ATOM 42 OG SER A 5 -5.196 -25.614 16.580 1.00 0.00 O ATOM 0 H SER A 5 -2.093 -28.036 18.617 1.00 0.00 H new ATOM 0 HA SER A 5 -4.749 -27.744 17.766 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.769 -25.247 18.022 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.140 -25.614 16.428 1.00 0.00 H new ATOM 0 HG SER A 5 -5.257 -24.666 16.340 1.00 0.00 H new ATOM 48 N SER A 6 -3.989 -28.919 15.733 1.00 0.00 N ATOM 49 CA SER A 6 -3.542 -29.735 14.617 1.00 0.00 C ATOM 50 C SER A 6 -3.723 -28.971 13.304 1.00 0.00 C ATOM 51 O SER A 6 -4.565 -28.078 13.213 1.00 0.00 O ATOM 52 CB SER A 6 -4.300 -31.063 14.568 1.00 0.00 C ATOM 53 OG SER A 6 -3.869 -31.884 13.485 1.00 0.00 O ATOM 0 H SER A 6 -4.983 -28.997 15.947 1.00 0.00 H new ATOM 0 HA SER A 6 -2.484 -29.957 14.757 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.157 -31.597 15.507 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.368 -30.868 14.472 1.00 0.00 H new ATOM 0 HG SER A 6 -4.375 -32.723 13.489 1.00 0.00 H new ATOM 59 N GLY A 7 -2.921 -29.350 12.320 1.00 0.00 N ATOM 60 CA GLY A 7 -2.983 -28.711 11.017 1.00 0.00 C ATOM 61 C GLY A 7 -2.044 -27.505 10.952 1.00 0.00 C ATOM 62 O GLY A 7 -1.586 -27.013 11.983 1.00 0.00 O ATOM 0 H GLY A 7 -2.225 -30.091 12.399 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.713 -29.429 10.243 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.005 -28.392 10.813 1.00 0.00 H new ATOM 66 N PRO A 8 -1.778 -27.050 9.698 1.00 0.00 N ATOM 67 CA PRO A 8 -0.902 -25.911 9.485 1.00 0.00 C ATOM 68 C PRO A 8 -1.607 -24.602 9.847 1.00 0.00 C ATOM 69 O PRO A 8 -2.764 -24.611 10.265 1.00 0.00 O ATOM 70 CB PRO A 8 -0.506 -25.987 8.019 1.00 0.00 C ATOM 71 CG PRO A 8 -1.536 -26.887 7.356 1.00 0.00 C ATOM 72 CD PRO A 8 -2.302 -27.607 8.454 1.00 0.00 C ATOM 0 HA PRO A 8 -0.019 -25.934 10.124 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.502 -24.997 7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.499 -26.394 7.906 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.216 -26.299 6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.048 -27.605 6.697 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.375 -27.437 8.365 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.145 -28.685 8.405 1.00 0.00 H new ATOM 80 N HIS A 9 -0.880 -23.508 9.673 1.00 0.00 N ATOM 81 CA HIS A 9 -1.421 -22.194 9.976 1.00 0.00 C ATOM 82 C HIS A 9 -1.559 -21.385 8.685 1.00 0.00 C ATOM 83 O HIS A 9 -0.563 -21.075 8.033 1.00 0.00 O ATOM 84 CB HIS A 9 -0.569 -21.486 11.032 1.00 0.00 C ATOM 85 CG HIS A 9 -1.136 -21.560 12.429 1.00 0.00 C ATOM 86 ND1 HIS A 9 -1.674 -22.720 12.959 1.00 0.00 N ATOM 87 CD2 HIS A 9 -1.242 -20.608 13.400 1.00 0.00 C ATOM 88 CE1 HIS A 9 -2.083 -22.465 14.194 1.00 0.00 C ATOM 89 NE2 HIS A 9 -1.814 -21.155 14.465 1.00 0.00 N ATOM 0 H HIS A 9 0.079 -23.505 9.326 1.00 0.00 H new ATOM 0 HA HIS A 9 -2.417 -22.297 10.406 1.00 0.00 H new ATOM 0 HB2 HIS A 9 0.429 -21.924 11.032 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -0.457 -20.439 10.751 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -0.915 -19.582 13.316 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.547 -23.170 14.867 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.019 -20.675 15.342 1.00 0.00 H new ATOM 97 N SER A 10 -2.802 -21.067 8.354 1.00 0.00 N ATOM 98 CA SER A 10 -3.083 -20.300 7.152 1.00 0.00 C ATOM 99 C SER A 10 -4.087 -19.188 7.463 1.00 0.00 C ATOM 100 O SER A 10 -4.649 -19.143 8.556 1.00 0.00 O ATOM 101 CB SER A 10 -3.617 -21.200 6.037 1.00 0.00 C ATOM 102 OG SER A 10 -4.959 -21.613 6.280 1.00 0.00 O ATOM 0 H SER A 10 -3.626 -21.326 8.897 1.00 0.00 H new ATOM 0 HA SER A 10 -2.151 -19.853 6.806 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.568 -20.668 5.087 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.979 -22.079 5.943 1.00 0.00 H new ATOM 0 HG SER A 10 -5.264 -22.185 5.545 1.00 0.00 H new ATOM 108 N MET A 11 -4.281 -18.318 6.483 1.00 0.00 N ATOM 109 CA MET A 11 -5.207 -17.210 6.639 1.00 0.00 C ATOM 110 C MET A 11 -4.785 -16.301 7.795 1.00 0.00 C ATOM 111 O MET A 11 -4.663 -16.753 8.932 1.00 0.00 O ATOM 112 CB MET A 11 -6.613 -17.752 6.903 1.00 0.00 C ATOM 113 CG MET A 11 -7.284 -18.193 5.600 1.00 0.00 C ATOM 114 SD MET A 11 -8.927 -18.804 5.936 1.00 0.00 S ATOM 115 CE MET A 11 -9.091 -19.996 4.617 1.00 0.00 C ATOM 0 H MET A 11 -3.812 -18.358 5.578 1.00 0.00 H new ATOM 0 HA MET A 11 -5.201 -16.624 5.720 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.558 -18.595 7.592 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.218 -16.985 7.386 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.334 -17.355 4.905 1.00 0.00 H new ATOM 0 HG3 MET A 11 -6.689 -18.970 5.120 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.068 -20.475 4.679 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.995 -19.491 3.656 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.310 -20.751 4.710 1.00 0.00 H new ATOM 125 N GLU A 12 -4.573 -15.036 7.464 1.00 0.00 N ATOM 126 CA GLU A 12 -4.167 -14.059 8.460 1.00 0.00 C ATOM 127 C GLU A 12 -4.276 -12.643 7.891 1.00 0.00 C ATOM 128 O GLU A 12 -4.206 -12.450 6.678 1.00 0.00 O ATOM 129 CB GLU A 12 -2.748 -14.342 8.959 1.00 0.00 C ATOM 130 CG GLU A 12 -1.725 -14.153 7.837 1.00 0.00 C ATOM 131 CD GLU A 12 -1.217 -15.503 7.326 1.00 0.00 C ATOM 132 OE1 GLU A 12 -2.064 -16.278 6.832 1.00 0.00 O ATOM 133 OE2 GLU A 12 0.007 -15.729 7.440 1.00 0.00 O ATOM 0 H GLU A 12 -4.675 -14.665 6.519 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.840 -14.139 9.314 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.511 -13.676 9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.690 -15.361 9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.178 -13.597 7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.887 -13.559 8.200 1.00 0.00 H new ATOM 140 N PRO A 13 -4.451 -11.663 8.818 1.00 0.00 N ATOM 141 CA PRO A 13 -4.571 -10.270 8.421 1.00 0.00 C ATOM 142 C PRO A 13 -3.211 -9.696 8.019 1.00 0.00 C ATOM 143 O PRO A 13 -3.082 -9.075 6.966 1.00 0.00 O ATOM 144 CB PRO A 13 -5.180 -9.570 9.624 1.00 0.00 C ATOM 145 CG PRO A 13 -4.949 -10.496 10.807 1.00 0.00 C ATOM 146 CD PRO A 13 -4.539 -11.854 10.262 1.00 0.00 C ATOM 0 HA PRO A 13 -5.198 -10.135 7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.711 -8.600 9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.244 -9.388 9.473 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.173 -10.096 11.459 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.855 -10.583 11.407 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.584 -12.176 10.678 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.271 -12.620 10.516 1.00 0.00 H new ATOM 154 N GLN A 14 -2.230 -9.924 8.881 1.00 0.00 N ATOM 155 CA GLN A 14 -0.885 -9.436 8.630 1.00 0.00 C ATOM 156 C GLN A 14 -0.558 -9.527 7.138 1.00 0.00 C ATOM 157 O GLN A 14 -0.251 -10.604 6.630 1.00 0.00 O ATOM 158 CB GLN A 14 0.141 -10.205 9.464 1.00 0.00 C ATOM 159 CG GLN A 14 -0.024 -9.901 10.954 1.00 0.00 C ATOM 160 CD GLN A 14 0.885 -10.794 11.801 1.00 0.00 C ATOM 161 OE1 GLN A 14 1.663 -10.333 12.620 1.00 0.00 O ATOM 162 NE2 GLN A 14 0.745 -12.094 11.557 1.00 0.00 N ATOM 0 H GLN A 14 -2.340 -10.440 9.754 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.837 -8.389 8.930 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.025 -11.275 9.293 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.148 -9.938 9.144 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.211 -8.854 11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.063 -10.052 11.247 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.074 -12.412 10.857 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.308 -12.773 12.070 1.00 0.00 H new ATOM 171 N VAL A 15 -0.634 -8.381 6.477 1.00 0.00 N ATOM 172 CA VAL A 15 -0.350 -8.317 5.054 1.00 0.00 C ATOM 173 C VAL A 15 1.052 -7.742 4.843 1.00 0.00 C ATOM 174 O VAL A 15 1.493 -6.879 5.600 1.00 0.00 O ATOM 175 CB VAL A 15 -1.439 -7.515 4.338 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.931 -6.973 3.001 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.702 -8.357 4.144 1.00 0.00 C ATOM 0 H VAL A 15 -0.888 -7.489 6.901 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.361 -9.316 4.618 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.697 -6.664 4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.724 -6.407 2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.074 -6.322 3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.632 -7.804 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.460 -7.763 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.465 -9.236 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.082 -8.672 5.116 1.00 0.00 H new ATOM 187 N THR A 16 1.714 -8.244 3.811 1.00 0.00 N ATOM 188 CA THR A 16 3.057 -7.792 3.491 1.00 0.00 C ATOM 189 C THR A 16 3.017 -6.762 2.361 1.00 0.00 C ATOM 190 O THR A 16 2.813 -7.115 1.201 1.00 0.00 O ATOM 191 CB THR A 16 3.905 -9.022 3.163 1.00 0.00 C ATOM 192 OG1 THR A 16 3.777 -9.850 4.316 1.00 0.00 O ATOM 193 CG2 THR A 16 5.400 -8.702 3.099 1.00 0.00 C ATOM 0 H THR A 16 1.345 -8.960 3.185 1.00 0.00 H new ATOM 0 HA THR A 16 3.515 -7.281 4.338 1.00 0.00 H new ATOM 0 HB THR A 16 3.582 -9.442 2.210 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.295 -10.672 4.188 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.956 -9.609 2.863 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.579 -7.955 2.326 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.731 -8.314 4.062 1.00 0.00 H new ATOM 201 N LEU A 17 3.216 -5.507 2.739 1.00 0.00 N ATOM 202 CA LEU A 17 3.206 -4.424 1.771 1.00 0.00 C ATOM 203 C LEU A 17 4.618 -4.228 1.215 1.00 0.00 C ATOM 204 O LEU A 17 5.457 -3.592 1.851 1.00 0.00 O ATOM 205 CB LEU A 17 2.609 -3.158 2.390 1.00 0.00 C ATOM 206 CG LEU A 17 1.130 -3.234 2.776 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.666 -1.931 3.429 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.267 -3.609 1.569 1.00 0.00 C ATOM 0 H LEU A 17 3.385 -5.217 3.702 1.00 0.00 H new ATOM 0 HA LEU A 17 2.563 -4.674 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.184 -2.907 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.738 -2.337 1.685 1.00 0.00 H new ATOM 0 HG LEU A 17 1.010 -4.025 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.388 -2.012 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.253 -1.746 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.803 -1.105 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.779 -3.656 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.386 -2.857 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.579 -4.581 1.187 1.00 0.00 H new ATOM 220 N ASN A 18 4.837 -4.787 0.034 1.00 0.00 N ATOM 221 CA ASN A 18 6.133 -4.683 -0.614 1.00 0.00 C ATOM 222 C ASN A 18 6.187 -3.391 -1.433 1.00 0.00 C ATOM 223 O ASN A 18 5.596 -3.309 -2.509 1.00 0.00 O ATOM 224 CB ASN A 18 6.369 -5.856 -1.567 1.00 0.00 C ATOM 225 CG ASN A 18 6.125 -7.192 -0.863 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.774 -7.538 0.111 1.00 0.00 O ATOM 227 ND2 ASN A 18 5.155 -7.922 -1.407 1.00 0.00 N ATOM 0 H ASN A 18 4.139 -5.313 -0.491 1.00 0.00 H new ATOM 0 HA ASN A 18 6.899 -4.689 0.162 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.707 -5.768 -2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.391 -5.822 -1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.916 -8.830 -1.009 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.651 -7.574 -2.222 1.00 0.00 H new ATOM 234 N VAL A 19 6.899 -2.414 -0.892 1.00 0.00 N ATOM 235 CA VAL A 19 7.037 -1.130 -1.558 1.00 0.00 C ATOM 236 C VAL A 19 8.382 -1.080 -2.286 1.00 0.00 C ATOM 237 O VAL A 19 9.432 -1.259 -1.670 1.00 0.00 O ATOM 238 CB VAL A 19 6.861 0.005 -0.548 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.064 1.368 -1.214 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.493 -0.074 0.133 1.00 0.00 C ATOM 0 H VAL A 19 7.387 -2.486 0.001 1.00 0.00 H new ATOM 0 HA VAL A 19 6.257 -1.003 -2.308 1.00 0.00 H new ATOM 0 HB VAL A 19 7.625 -0.109 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.933 2.158 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.070 1.423 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.333 1.495 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.394 0.744 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.707 0.003 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.402 -1.025 0.657 1.00 0.00 H new ATOM 250 N THR A 20 8.307 -0.836 -3.586 1.00 0.00 N ATOM 251 CA THR A 20 9.505 -0.760 -4.404 1.00 0.00 C ATOM 252 C THR A 20 9.711 0.666 -4.917 1.00 0.00 C ATOM 253 O THR A 20 9.121 1.058 -5.923 1.00 0.00 O ATOM 254 CB THR A 20 9.381 -1.797 -5.522 1.00 0.00 C ATOM 255 OG1 THR A 20 9.768 -3.022 -4.904 1.00 0.00 O ATOM 256 CG2 THR A 20 10.419 -1.593 -6.627 1.00 0.00 C ATOM 0 H THR A 20 7.434 -0.688 -4.093 1.00 0.00 H new ATOM 0 HA THR A 20 10.397 -0.994 -3.822 1.00 0.00 H new ATOM 0 HB THR A 20 8.380 -1.750 -5.951 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.715 -3.750 -5.558 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.287 -2.355 -7.395 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.290 -0.605 -7.070 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.421 -1.673 -6.205 1.00 0.00 H new ATOM 264 N PHE A 21 10.549 1.403 -4.204 1.00 0.00 N ATOM 265 CA PHE A 21 10.840 2.777 -4.575 1.00 0.00 C ATOM 266 C PHE A 21 12.110 2.859 -5.424 1.00 0.00 C ATOM 267 O PHE A 21 13.124 2.246 -5.092 1.00 0.00 O ATOM 268 CB PHE A 21 11.058 3.555 -3.276 1.00 0.00 C ATOM 269 CG PHE A 21 11.453 5.018 -3.485 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.750 5.794 -4.353 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.505 5.543 -2.802 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.116 7.152 -4.548 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.871 6.902 -2.997 1.00 0.00 C ATOM 274 CZ PHE A 21 12.169 7.678 -3.865 1.00 0.00 C ATOM 0 H PHE A 21 11.036 1.074 -3.370 1.00 0.00 H new ATOM 0 HA PHE A 21 10.017 3.186 -5.161 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.143 3.517 -2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.835 3.059 -2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.913 5.377 -4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.062 4.927 -2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.559 7.768 -5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.707 7.319 -2.455 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.447 8.711 -4.012 1.00 0.00 H new ATOM 284 N LYS A 22 12.014 3.621 -6.503 1.00 0.00 N ATOM 285 CA LYS A 22 13.143 3.791 -7.402 1.00 0.00 C ATOM 286 C LYS A 22 13.716 2.418 -7.759 1.00 0.00 C ATOM 287 O LYS A 22 13.266 1.781 -8.710 1.00 0.00 O ATOM 288 CB LYS A 22 14.171 4.748 -6.797 1.00 0.00 C ATOM 289 CG LYS A 22 13.529 6.092 -6.447 1.00 0.00 C ATOM 290 CD LYS A 22 12.877 6.725 -7.678 1.00 0.00 C ATOM 291 CE LYS A 22 11.352 6.641 -7.594 1.00 0.00 C ATOM 292 NZ LYS A 22 10.803 5.976 -8.797 1.00 0.00 N ATOM 0 H LYS A 22 11.172 4.128 -6.775 1.00 0.00 H new ATOM 0 HA LYS A 22 12.821 4.255 -8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.604 4.303 -5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.988 4.904 -7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.781 5.950 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.285 6.766 -6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.183 7.768 -7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.224 6.218 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.061 6.088 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.931 7.642 -7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.833 6.310 -8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.396 6.204 -9.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.794 4.946 -8.651 1.00 0.00 H new ATOM 306 N ASN A 23 14.702 2.002 -6.977 1.00 0.00 N ATOM 307 CA ASN A 23 15.342 0.717 -7.199 1.00 0.00 C ATOM 308 C ASN A 23 15.444 -0.033 -5.869 1.00 0.00 C ATOM 309 O ASN A 23 16.089 -1.077 -5.789 1.00 0.00 O ATOM 310 CB ASN A 23 16.757 0.894 -7.751 1.00 0.00 C ATOM 311 CG ASN A 23 17.436 -0.461 -7.964 1.00 0.00 C ATOM 312 OD1 ASN A 23 16.873 -1.385 -8.527 1.00 0.00 O ATOM 313 ND2 ASN A 23 18.674 -0.526 -7.483 1.00 0.00 N ATOM 0 H ASN A 23 15.073 2.533 -6.189 1.00 0.00 H new ATOM 0 HA ASN A 23 14.741 0.161 -7.919 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.718 1.437 -8.695 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.348 1.496 -7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.212 -1.388 -7.575 1.00 0.00 H new ATOM 0 HD22 ASN A 23 19.085 0.286 -7.022 1.00 0.00 H new ATOM 320 N GLU A 24 14.798 0.529 -4.858 1.00 0.00 N ATOM 321 CA GLU A 24 14.807 -0.073 -3.536 1.00 0.00 C ATOM 322 C GLU A 24 13.553 -0.925 -3.331 1.00 0.00 C ATOM 323 O GLU A 24 12.595 -0.818 -4.095 1.00 0.00 O ATOM 324 CB GLU A 24 14.928 0.996 -2.447 1.00 0.00 C ATOM 325 CG GLU A 24 16.387 1.409 -2.245 1.00 0.00 C ATOM 326 CD GLU A 24 16.518 2.931 -2.153 1.00 0.00 C ATOM 327 OE1 GLU A 24 16.695 3.550 -3.224 1.00 0.00 O ATOM 328 OE2 GLU A 24 16.439 3.440 -1.014 1.00 0.00 O ATOM 0 H GLU A 24 14.265 1.396 -4.928 1.00 0.00 H new ATOM 0 HA GLU A 24 15.679 -0.722 -3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.334 1.868 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.521 0.614 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.776 0.951 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.992 1.038 -3.072 1.00 0.00 H new ATOM 335 N ILE A 25 13.600 -1.751 -2.296 1.00 0.00 N ATOM 336 CA ILE A 25 12.479 -2.620 -1.981 1.00 0.00 C ATOM 337 C ILE A 25 12.256 -2.630 -0.467 1.00 0.00 C ATOM 338 O ILE A 25 13.171 -2.937 0.296 1.00 0.00 O ATOM 339 CB ILE A 25 12.695 -4.011 -2.580 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.752 -3.947 -4.108 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.630 -4.992 -2.087 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.473 -5.169 -4.681 1.00 0.00 C ATOM 0 H ILE A 25 14.397 -1.837 -1.665 1.00 0.00 H new ATOM 0 HA ILE A 25 11.564 -2.241 -2.436 1.00 0.00 H new ATOM 0 HB ILE A 25 13.660 -4.384 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.741 -3.895 -4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.267 -3.038 -4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.807 -5.973 -2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.680 -5.068 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.643 -4.635 -2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.500 -5.099 -5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.492 -5.205 -4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.942 -6.075 -4.389 1.00 0.00 H new ATOM 354 N GLN A 26 11.036 -2.291 -0.079 1.00 0.00 N ATOM 355 CA GLN A 26 10.682 -2.257 1.330 1.00 0.00 C ATOM 356 C GLN A 26 9.477 -3.161 1.596 1.00 0.00 C ATOM 357 O GLN A 26 8.770 -3.550 0.667 1.00 0.00 O ATOM 358 CB GLN A 26 10.405 -0.825 1.792 1.00 0.00 C ATOM 359 CG GLN A 26 10.964 -0.583 3.195 1.00 0.00 C ATOM 360 CD GLN A 26 12.489 -0.460 3.164 1.00 0.00 C ATOM 361 OE1 GLN A 26 13.180 -1.170 2.453 1.00 0.00 O ATOM 362 NE2 GLN A 26 12.972 0.477 3.974 1.00 0.00 N ATOM 0 H GLN A 26 10.280 -2.037 -0.715 1.00 0.00 H new ATOM 0 HA GLN A 26 11.528 -2.632 1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.853 -0.120 1.092 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.331 -0.639 1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.531 0.326 3.611 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.675 -1.403 3.852 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.336 1.037 4.543 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.978 0.636 4.027 1.00 0.00 H new ATOM 371 N SER A 27 9.279 -3.471 2.869 1.00 0.00 N ATOM 372 CA SER A 27 8.172 -4.322 3.269 1.00 0.00 C ATOM 373 C SER A 27 7.584 -3.829 4.593 1.00 0.00 C ATOM 374 O SER A 27 8.320 -3.563 5.542 1.00 0.00 O ATOM 375 CB SER A 27 8.617 -5.781 3.397 1.00 0.00 C ATOM 376 OG SER A 27 7.747 -6.532 4.239 1.00 0.00 O ATOM 0 H SER A 27 9.867 -3.148 3.637 1.00 0.00 H new ATOM 0 HA SER A 27 7.405 -4.270 2.496 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.649 -6.239 2.408 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.630 -5.817 3.798 1.00 0.00 H new ATOM 0 HG SER A 27 8.064 -7.458 4.294 1.00 0.00 H new ATOM 382 N PHE A 28 6.264 -3.723 4.614 1.00 0.00 N ATOM 383 CA PHE A 28 5.569 -3.266 5.806 1.00 0.00 C ATOM 384 C PHE A 28 4.416 -4.207 6.163 1.00 0.00 C ATOM 385 O PHE A 28 3.449 -4.322 5.411 1.00 0.00 O ATOM 386 CB PHE A 28 5.002 -1.881 5.490 1.00 0.00 C ATOM 387 CG PHE A 28 6.049 -0.874 5.010 1.00 0.00 C ATOM 388 CD1 PHE A 28 6.337 -0.773 3.684 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.693 -0.081 5.908 1.00 0.00 C ATOM 390 CE1 PHE A 28 7.310 0.161 3.238 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.665 0.853 5.462 1.00 0.00 C ATOM 392 CZ PHE A 28 7.953 0.954 4.137 1.00 0.00 C ATOM 0 H PHE A 28 5.657 -3.946 3.825 1.00 0.00 H new ATOM 0 HA PHE A 28 6.257 -3.241 6.651 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.232 -1.981 4.725 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.516 -1.487 6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.826 -1.403 2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.465 -0.162 6.961 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.539 0.241 2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.176 1.483 6.175 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.693 1.664 3.798 1.00 0.00 H new ATOM 402 N LEU A 29 4.557 -4.855 7.309 1.00 0.00 N ATOM 403 CA LEU A 29 3.539 -5.782 7.775 1.00 0.00 C ATOM 404 C LEU A 29 2.386 -4.995 8.401 1.00 0.00 C ATOM 405 O LEU A 29 2.612 -4.061 9.170 1.00 0.00 O ATOM 406 CB LEU A 29 4.152 -6.824 8.712 1.00 0.00 C ATOM 407 CG LEU A 29 3.280 -8.043 9.021 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.311 -9.047 7.867 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.686 -8.685 10.350 1.00 0.00 C ATOM 0 H LEU A 29 5.361 -4.757 7.929 1.00 0.00 H new ATOM 0 HA LEU A 29 3.124 -6.344 6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.087 -7.173 8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.404 -6.334 9.653 1.00 0.00 H new ATOM 0 HG LEU A 29 2.249 -7.707 9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.683 -9.903 8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.937 -8.571 6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.335 -9.383 7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.051 -9.549 10.546 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.727 -9.004 10.297 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.570 -7.959 11.155 1.00 0.00 H new ATOM 421 N VAL A 30 1.175 -5.400 8.048 1.00 0.00 N ATOM 422 CA VAL A 30 -0.014 -4.744 8.566 1.00 0.00 C ATOM 423 C VAL A 30 -0.915 -5.784 9.234 1.00 0.00 C ATOM 424 O VAL A 30 -1.728 -6.425 8.569 1.00 0.00 O ATOM 425 CB VAL A 30 -0.717 -3.975 7.445 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.674 -2.926 8.017 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.299 -3.332 6.500 1.00 0.00 C ATOM 0 H VAL A 30 0.991 -6.174 7.410 1.00 0.00 H new ATOM 0 HA VAL A 30 0.255 -4.011 9.326 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.306 -4.688 6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.161 -2.394 7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.429 -3.418 8.630 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.115 -2.218 8.629 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.227 -2.792 5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.927 -2.638 7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.922 -4.107 6.054 1.00 0.00 H new ATOM 437 N SER A 31 -0.741 -5.919 10.540 1.00 0.00 N ATOM 438 CA SER A 31 -1.529 -6.871 11.306 1.00 0.00 C ATOM 439 C SER A 31 -2.986 -6.409 11.374 1.00 0.00 C ATOM 440 O SER A 31 -3.866 -7.175 11.763 1.00 0.00 O ATOM 441 CB SER A 31 -0.961 -7.048 12.715 1.00 0.00 C ATOM 442 OG SER A 31 -1.471 -6.074 13.622 1.00 0.00 O ATOM 0 H SER A 31 -0.066 -5.385 11.088 1.00 0.00 H new ATOM 0 HA SER A 31 -1.484 -7.837 10.802 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.203 -8.046 13.081 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.126 -6.976 12.679 1.00 0.00 H new ATOM 0 HG SER A 31 -1.086 -6.221 14.511 1.00 0.00 H new ATOM 448 N ASP A 32 -3.195 -5.158 10.990 1.00 0.00 N ATOM 449 CA ASP A 32 -4.530 -4.585 11.003 1.00 0.00 C ATOM 450 C ASP A 32 -4.727 -3.734 9.748 1.00 0.00 C ATOM 451 O ASP A 32 -4.790 -2.508 9.828 1.00 0.00 O ATOM 452 CB ASP A 32 -4.731 -3.683 12.222 1.00 0.00 C ATOM 453 CG ASP A 32 -3.993 -4.130 13.486 1.00 0.00 C ATOM 454 OD1 ASP A 32 -4.205 -5.295 13.885 1.00 0.00 O ATOM 455 OD2 ASP A 32 -3.233 -3.296 14.024 1.00 0.00 O ATOM 0 H ASP A 32 -2.462 -4.526 10.668 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.248 -5.404 11.039 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.405 -2.675 11.967 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.797 -3.627 12.442 1.00 0.00 H new ATOM 460 N PRO A 33 -4.822 -4.435 8.586 1.00 0.00 N ATOM 461 CA PRO A 33 -5.011 -3.757 7.315 1.00 0.00 C ATOM 462 C PRO A 33 -6.449 -3.254 7.170 1.00 0.00 C ATOM 463 O PRO A 33 -6.754 -2.489 6.257 1.00 0.00 O ATOM 464 CB PRO A 33 -4.631 -4.783 6.261 1.00 0.00 C ATOM 465 CG PRO A 33 -4.691 -6.135 6.954 1.00 0.00 C ATOM 466 CD PRO A 33 -4.753 -5.887 8.453 1.00 0.00 C ATOM 0 HA PRO A 33 -4.396 -2.862 7.220 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.318 -4.747 5.415 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.633 -4.589 5.869 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.565 -6.695 6.623 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.815 -6.733 6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.624 -6.367 8.898 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.875 -6.290 8.958 1.00 0.00 H new ATOM 474 N GLU A 34 -7.295 -3.706 8.084 1.00 0.00 N ATOM 475 CA GLU A 34 -8.693 -3.312 8.069 1.00 0.00 C ATOM 476 C GLU A 34 -8.955 -2.242 9.132 1.00 0.00 C ATOM 477 O GLU A 34 -9.839 -1.403 8.967 1.00 0.00 O ATOM 478 CB GLU A 34 -9.606 -4.523 8.274 1.00 0.00 C ATOM 479 CG GLU A 34 -9.764 -5.317 6.976 1.00 0.00 C ATOM 480 CD GLU A 34 -11.220 -5.737 6.764 1.00 0.00 C ATOM 481 OE1 GLU A 34 -11.722 -6.496 7.621 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.798 -5.290 5.750 1.00 0.00 O ATOM 0 H GLU A 34 -7.039 -4.341 8.840 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.920 -2.888 7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.193 -5.167 9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.584 -4.191 8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.430 -4.713 6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.127 -6.201 7.007 1.00 0.00 H new ATOM 489 N ASN A 35 -8.170 -2.308 10.197 1.00 0.00 N ATOM 490 CA ASN A 35 -8.306 -1.355 11.286 1.00 0.00 C ATOM 491 C ASN A 35 -7.547 -0.074 10.935 1.00 0.00 C ATOM 492 O ASN A 35 -8.076 1.026 11.084 1.00 0.00 O ATOM 493 CB ASN A 35 -7.717 -1.913 12.583 1.00 0.00 C ATOM 494 CG ASN A 35 -8.549 -1.483 13.793 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.098 -0.755 14.661 1.00 0.00 O ATOM 496 ND2 ASN A 35 -9.785 -1.973 13.801 1.00 0.00 N ATOM 0 H ASN A 35 -7.438 -3.006 10.329 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.368 -1.156 11.429 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.680 -3.001 12.531 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.691 -1.564 12.700 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.419 -1.744 14.566 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.099 -2.577 13.042 1.00 0.00 H new ATOM 503 N THR A 36 -6.318 -0.260 10.474 1.00 0.00 N ATOM 504 CA THR A 36 -5.481 0.867 10.100 1.00 0.00 C ATOM 505 C THR A 36 -6.081 1.602 8.900 1.00 0.00 C ATOM 506 O THR A 36 -6.939 1.063 8.203 1.00 0.00 O ATOM 507 CB THR A 36 -4.067 0.342 9.846 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.227 1.463 10.108 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.816 0.026 8.370 1.00 0.00 C ATOM 0 H THR A 36 -5.882 -1.174 10.351 1.00 0.00 H new ATOM 0 HA THR A 36 -5.430 1.605 10.901 1.00 0.00 H new ATOM 0 HB THR A 36 -3.901 -0.555 10.443 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.291 1.210 9.969 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.798 -0.343 8.245 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.521 -0.735 8.036 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.950 0.930 7.776 1.00 0.00 H new ATOM 517 N THR A 37 -5.605 2.822 8.695 1.00 0.00 N ATOM 518 CA THR A 37 -6.084 3.636 7.591 1.00 0.00 C ATOM 519 C THR A 37 -4.996 3.783 6.526 1.00 0.00 C ATOM 520 O THR A 37 -3.808 3.671 6.827 1.00 0.00 O ATOM 521 CB THR A 37 -6.559 4.974 8.162 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.489 5.392 9.005 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.745 4.815 9.116 1.00 0.00 C ATOM 0 H THR A 37 -4.893 3.266 9.275 1.00 0.00 H new ATOM 0 HA THR A 37 -6.927 3.163 7.087 1.00 0.00 H new ATOM 0 HB THR A 37 -6.837 5.639 7.344 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.713 6.253 9.415 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.043 5.794 9.493 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.581 4.361 8.584 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.457 4.177 9.951 1.00 0.00 H new ATOM 531 N TRP A 38 -5.440 4.030 5.302 1.00 0.00 N ATOM 532 CA TRP A 38 -4.519 4.193 4.190 1.00 0.00 C ATOM 533 C TRP A 38 -3.596 5.372 4.509 1.00 0.00 C ATOM 534 O TRP A 38 -2.403 5.327 4.216 1.00 0.00 O ATOM 535 CB TRP A 38 -5.275 4.366 2.872 1.00 0.00 C ATOM 536 CG TRP A 38 -4.404 4.854 1.713 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.585 5.935 0.942 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.198 4.230 1.222 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.589 6.053 -0.006 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.719 4.983 0.170 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.535 3.067 1.653 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.557 4.657 -0.540 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.376 2.755 0.933 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.880 3.503 -0.128 1.00 0.00 C ATOM 0 H TRP A 38 -6.426 4.121 5.056 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.910 3.299 4.060 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.727 3.413 2.597 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.090 5.074 3.023 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.407 6.627 1.049 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.506 6.790 -0.707 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.892 2.463 2.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.202 5.263 -1.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.828 1.870 1.222 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.024 3.195 -0.633 1.00 0.00 H new ATOM 555 N ALA A 39 -4.185 6.398 5.105 1.00 0.00 N ATOM 556 CA ALA A 39 -3.431 7.586 5.467 1.00 0.00 C ATOM 557 C ALA A 39 -2.238 7.183 6.336 1.00 0.00 C ATOM 558 O ALA A 39 -1.152 7.746 6.206 1.00 0.00 O ATOM 559 CB ALA A 39 -4.355 8.583 6.171 1.00 0.00 C ATOM 0 H ALA A 39 -5.175 6.431 5.346 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.039 8.077 4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.789 9.474 6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.169 8.860 5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.765 8.126 7.071 1.00 0.00 H new ATOM 565 N ASP A 40 -2.481 6.211 7.204 1.00 0.00 N ATOM 566 CA ASP A 40 -1.440 5.726 8.094 1.00 0.00 C ATOM 567 C ASP A 40 -0.357 5.026 7.272 1.00 0.00 C ATOM 568 O ASP A 40 0.833 5.192 7.536 1.00 0.00 O ATOM 569 CB ASP A 40 -2.000 4.716 9.097 1.00 0.00 C ATOM 570 CG ASP A 40 -2.177 5.248 10.521 1.00 0.00 C ATOM 571 OD1 ASP A 40 -3.040 6.135 10.692 1.00 0.00 O ATOM 572 OD2 ASP A 40 -1.444 4.755 11.406 1.00 0.00 O ATOM 0 H ASP A 40 -3.383 5.747 7.309 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.032 6.581 8.633 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.966 4.364 8.734 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.337 3.852 9.128 1.00 0.00 H new ATOM 577 N ILE A 41 -0.807 4.257 6.291 1.00 0.00 N ATOM 578 CA ILE A 41 0.108 3.530 5.429 1.00 0.00 C ATOM 579 C ILE A 41 0.920 4.527 4.599 1.00 0.00 C ATOM 580 O ILE A 41 2.148 4.543 4.667 1.00 0.00 O ATOM 581 CB ILE A 41 -0.650 2.503 4.586 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.505 1.593 5.471 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.308 1.705 3.700 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.637 0.568 6.204 1.00 0.00 C ATOM 0 H ILE A 41 -1.795 4.122 6.074 1.00 0.00 H new ATOM 0 HA ILE A 41 0.818 2.957 6.025 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.329 3.039 3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.053 2.195 6.196 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.246 1.077 4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.257 0.982 3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.836 2.384 3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.029 1.179 4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.269 -0.066 6.826 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.109 -0.048 5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.086 1.087 6.833 1.00 0.00 H new ATOM 596 N GLU A 42 0.200 5.335 3.834 1.00 0.00 N ATOM 597 CA GLU A 42 0.838 6.333 2.992 1.00 0.00 C ATOM 598 C GLU A 42 2.043 6.943 3.711 1.00 0.00 C ATOM 599 O GLU A 42 3.182 6.760 3.285 1.00 0.00 O ATOM 600 CB GLU A 42 -0.158 7.417 2.575 1.00 0.00 C ATOM 601 CG GLU A 42 0.260 8.068 1.255 1.00 0.00 C ATOM 602 CD GLU A 42 -0.938 8.223 0.316 1.00 0.00 C ATOM 603 OE1 GLU A 42 -2.001 8.649 0.817 1.00 0.00 O ATOM 604 OE2 GLU A 42 -0.764 7.911 -0.882 1.00 0.00 O ATOM 0 H GLU A 42 -0.818 5.319 3.780 1.00 0.00 H new ATOM 0 HA GLU A 42 1.191 5.842 2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.152 6.982 2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.222 8.176 3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.702 9.045 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.028 7.462 0.774 1.00 0.00 H new ATOM 611 N ALA A 43 1.750 7.655 4.789 1.00 0.00 N ATOM 612 CA ALA A 43 2.795 8.293 5.571 1.00 0.00 C ATOM 613 C ALA A 43 3.875 7.263 5.907 1.00 0.00 C ATOM 614 O ALA A 43 5.046 7.459 5.585 1.00 0.00 O ATOM 615 CB ALA A 43 2.182 8.926 6.822 1.00 0.00 C ATOM 0 H ALA A 43 0.804 7.804 5.139 1.00 0.00 H new ATOM 0 HA ALA A 43 3.268 9.092 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.966 9.405 7.409 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.443 9.671 6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.700 8.154 7.422 1.00 0.00 H new ATOM 621 N MET A 44 3.443 6.189 6.552 1.00 0.00 N ATOM 622 CA MET A 44 4.359 5.128 6.935 1.00 0.00 C ATOM 623 C MET A 44 5.412 4.894 5.850 1.00 0.00 C ATOM 624 O MET A 44 6.609 4.885 6.134 1.00 0.00 O ATOM 625 CB MET A 44 3.574 3.837 7.172 1.00 0.00 C ATOM 626 CG MET A 44 4.423 2.808 7.920 1.00 0.00 C ATOM 627 SD MET A 44 3.379 1.523 8.588 1.00 0.00 S ATOM 628 CE MET A 44 2.807 0.771 7.074 1.00 0.00 C ATOM 0 H MET A 44 2.471 6.031 6.819 1.00 0.00 H new ATOM 0 HA MET A 44 4.869 5.427 7.851 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.673 4.055 7.745 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.252 3.423 6.217 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.161 2.374 7.245 1.00 0.00 H new ATOM 0 HG3 MET A 44 4.974 3.295 8.725 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.225 -0.121 7.308 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.183 1.479 6.529 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.663 0.494 6.459 1.00 0.00 H new ATOM 638 N VAL A 45 4.928 4.710 4.631 1.00 0.00 N ATOM 639 CA VAL A 45 5.813 4.477 3.502 1.00 0.00 C ATOM 640 C VAL A 45 6.717 5.696 3.308 1.00 0.00 C ATOM 641 O VAL A 45 7.919 5.553 3.087 1.00 0.00 O ATOM 642 CB VAL A 45 4.993 4.136 2.256 1.00 0.00 C ATOM 643 CG1 VAL A 45 5.902 3.914 1.045 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.102 2.917 2.503 1.00 0.00 C ATOM 0 H VAL A 45 3.935 4.717 4.400 1.00 0.00 H new ATOM 0 HA VAL A 45 6.459 3.620 3.694 1.00 0.00 H new ATOM 0 HB VAL A 45 4.346 4.986 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.294 3.673 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.475 4.820 0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.586 3.090 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.530 2.696 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.723 2.058 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.418 3.127 3.325 1.00 0.00 H new ATOM 654 N LYS A 46 6.105 6.867 3.397 1.00 0.00 N ATOM 655 CA LYS A 46 6.839 8.110 3.233 1.00 0.00 C ATOM 656 C LYS A 46 7.996 8.149 4.234 1.00 0.00 C ATOM 657 O LYS A 46 9.159 8.046 3.848 1.00 0.00 O ATOM 658 CB LYS A 46 5.894 9.309 3.339 1.00 0.00 C ATOM 659 CG LYS A 46 4.871 9.302 2.201 1.00 0.00 C ATOM 660 CD LYS A 46 4.080 10.611 2.167 1.00 0.00 C ATOM 661 CE LYS A 46 2.749 10.467 2.907 1.00 0.00 C ATOM 662 NZ LYS A 46 1.643 11.028 2.098 1.00 0.00 N ATOM 0 H LYS A 46 5.108 6.982 3.581 1.00 0.00 H new ATOM 0 HA LYS A 46 7.276 8.166 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.377 9.285 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.470 10.234 3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.382 9.157 1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.187 8.463 2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.669 11.408 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.896 10.902 1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.556 9.415 3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.802 10.981 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.732 10.717 2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.692 12.067 2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.727 10.694 1.117 1.00 0.00 H new ATOM 676 N VAL A 47 7.636 8.298 5.501 1.00 0.00 N ATOM 677 CA VAL A 47 8.630 8.352 6.559 1.00 0.00 C ATOM 678 C VAL A 47 9.656 7.238 6.347 1.00 0.00 C ATOM 679 O VAL A 47 10.860 7.472 6.444 1.00 0.00 O ATOM 680 CB VAL A 47 7.943 8.280 7.925 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.863 9.356 8.053 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.362 6.887 8.174 1.00 0.00 C ATOM 0 H VAL A 47 6.670 8.383 5.818 1.00 0.00 H new ATOM 0 HA VAL A 47 9.169 9.299 6.529 1.00 0.00 H new ATOM 0 HB VAL A 47 8.697 8.470 8.689 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.391 9.283 9.033 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.316 10.341 7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.112 9.212 7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.880 6.863 9.151 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.629 6.655 7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.163 6.148 8.147 1.00 0.00 H new ATOM 692 N SER A 48 9.143 6.051 6.061 1.00 0.00 N ATOM 693 CA SER A 48 10.000 4.900 5.834 1.00 0.00 C ATOM 694 C SER A 48 11.046 5.228 4.766 1.00 0.00 C ATOM 695 O SER A 48 12.189 4.785 4.854 1.00 0.00 O ATOM 696 CB SER A 48 9.181 3.677 5.416 1.00 0.00 C ATOM 697 OG SER A 48 9.971 2.491 5.385 1.00 0.00 O ATOM 0 H SER A 48 8.144 5.861 5.981 1.00 0.00 H new ATOM 0 HA SER A 48 10.507 4.662 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.351 3.542 6.110 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.748 3.850 4.431 1.00 0.00 H new ATOM 0 HG SER A 48 9.402 1.724 5.165 1.00 0.00 H new ATOM 703 N PHE A 49 10.616 6.003 3.781 1.00 0.00 N ATOM 704 CA PHE A 49 11.500 6.397 2.698 1.00 0.00 C ATOM 705 C PHE A 49 11.882 7.874 2.810 1.00 0.00 C ATOM 706 O PHE A 49 12.415 8.455 1.866 1.00 0.00 O ATOM 707 CB PHE A 49 10.733 6.178 1.392 1.00 0.00 C ATOM 708 CG PHE A 49 10.798 4.744 0.865 1.00 0.00 C ATOM 709 CD1 PHE A 49 11.877 4.332 0.146 1.00 0.00 C ATOM 710 CD2 PHE A 49 9.777 3.881 1.114 1.00 0.00 C ATOM 711 CE1 PHE A 49 11.937 3.000 -0.344 1.00 0.00 C ATOM 712 CE2 PHE A 49 9.838 2.549 0.624 1.00 0.00 C ATOM 713 CZ PHE A 49 10.916 2.137 -0.094 1.00 0.00 C ATOM 0 H PHE A 49 9.666 6.369 3.711 1.00 0.00 H new ATOM 0 HA PHE A 49 12.417 5.809 2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.689 6.451 1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.130 6.852 0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 49 12.688 5.017 -0.052 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.920 4.208 1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.793 2.673 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.027 1.863 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.962 1.124 -0.466 1.00 0.00 H new ATOM 723 N ASP A 50 11.594 8.440 3.973 1.00 0.00 N ATOM 724 CA ASP A 50 11.900 9.838 4.221 1.00 0.00 C ATOM 725 C ASP A 50 11.358 10.687 3.069 1.00 0.00 C ATOM 726 O ASP A 50 12.127 11.208 2.263 1.00 0.00 O ATOM 727 CB ASP A 50 13.410 10.065 4.306 1.00 0.00 C ATOM 728 CG ASP A 50 13.995 10.009 5.719 1.00 0.00 C ATOM 729 OD1 ASP A 50 13.355 9.356 6.572 1.00 0.00 O ATOM 730 OD2 ASP A 50 15.068 10.620 5.914 1.00 0.00 O ATOM 0 H ASP A 50 11.152 7.955 4.754 1.00 0.00 H new ATOM 0 HA ASP A 50 11.439 10.121 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.910 9.316 3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.641 11.038 3.872 1.00 0.00 H new ATOM 735 N LEU A 51 10.039 10.799 3.028 1.00 0.00 N ATOM 736 CA LEU A 51 9.386 11.575 1.988 1.00 0.00 C ATOM 737 C LEU A 51 8.227 12.366 2.599 1.00 0.00 C ATOM 738 O LEU A 51 7.724 12.013 3.665 1.00 0.00 O ATOM 739 CB LEU A 51 8.968 10.671 0.827 1.00 0.00 C ATOM 740 CG LEU A 51 9.978 9.598 0.415 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.293 8.465 -0.352 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.135 10.210 -0.378 1.00 0.00 C ATOM 0 H LEU A 51 9.404 10.365 3.698 1.00 0.00 H new ATOM 0 HA LEU A 51 10.079 12.301 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.033 10.178 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.761 11.299 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 51 10.402 9.163 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.033 7.716 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.533 8.005 0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.823 8.866 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.839 9.426 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.747 10.688 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.645 10.952 0.236 1.00 0.00 H new ATOM 754 N ASN A 52 7.837 13.420 1.898 1.00 0.00 N ATOM 755 CA ASN A 52 6.747 14.264 2.358 1.00 0.00 C ATOM 756 C ASN A 52 5.448 13.828 1.677 1.00 0.00 C ATOM 757 O ASN A 52 4.450 13.568 2.346 1.00 0.00 O ATOM 758 CB ASN A 52 6.999 15.731 2.003 1.00 0.00 C ATOM 759 CG ASN A 52 6.942 16.614 3.251 1.00 0.00 C ATOM 760 OD1 ASN A 52 6.137 16.418 4.146 1.00 0.00 O ATOM 761 ND2 ASN A 52 7.840 17.595 3.260 1.00 0.00 N ATOM 0 H ASN A 52 8.256 13.709 1.014 1.00 0.00 H new ATOM 0 HA ASN A 52 6.675 14.163 3.441 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.974 15.831 1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.255 16.067 1.281 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.883 18.239 4.049 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.485 17.703 2.477 1.00 0.00 H new ATOM 768 N THR A 53 5.504 13.763 0.354 1.00 0.00 N ATOM 769 CA THR A 53 4.345 13.363 -0.425 1.00 0.00 C ATOM 770 C THR A 53 4.730 12.286 -1.440 1.00 0.00 C ATOM 771 O THR A 53 5.674 12.462 -2.210 1.00 0.00 O ATOM 772 CB THR A 53 3.751 14.619 -1.066 1.00 0.00 C ATOM 773 OG1 THR A 53 4.877 15.287 -1.629 1.00 0.00 O ATOM 774 CG2 THR A 53 3.211 15.607 -0.030 1.00 0.00 C ATOM 0 H THR A 53 6.334 13.981 -0.197 1.00 0.00 H new ATOM 0 HA THR A 53 3.581 12.910 0.206 1.00 0.00 H new ATOM 0 HB THR A 53 2.949 14.334 -1.747 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.500 14.625 -1.996 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.801 16.480 -0.539 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.427 15.127 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.019 15.919 0.631 1.00 0.00 H new ATOM 782 N ILE A 54 3.980 11.194 -1.411 1.00 0.00 N ATOM 783 CA ILE A 54 4.231 10.089 -2.319 1.00 0.00 C ATOM 784 C ILE A 54 2.903 9.602 -2.903 1.00 0.00 C ATOM 785 O ILE A 54 1.835 9.986 -2.429 1.00 0.00 O ATOM 786 CB ILE A 54 5.033 8.991 -1.618 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.150 8.196 -0.654 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.264 9.572 -0.920 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.929 7.042 -0.020 1.00 0.00 C ATOM 0 H ILE A 54 3.198 11.051 -0.772 1.00 0.00 H new ATOM 0 HA ILE A 54 4.847 10.417 -3.156 1.00 0.00 H new ATOM 0 HB ILE A 54 5.391 8.294 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.772 8.856 0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.284 7.805 -1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.816 8.770 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.905 10.057 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.949 10.304 -0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.278 6.494 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.285 6.371 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.780 7.438 0.533 1.00 0.00 H new ATOM 801 N GLN A 55 3.014 8.765 -3.924 1.00 0.00 N ATOM 802 CA GLN A 55 1.835 8.222 -4.578 1.00 0.00 C ATOM 803 C GLN A 55 2.005 6.721 -4.818 1.00 0.00 C ATOM 804 O GLN A 55 2.097 6.279 -5.962 1.00 0.00 O ATOM 805 CB GLN A 55 1.547 8.958 -5.888 1.00 0.00 C ATOM 806 CG GLN A 55 0.050 8.949 -6.204 1.00 0.00 C ATOM 807 CD GLN A 55 -0.755 9.580 -5.066 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.586 10.737 -4.720 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.638 8.757 -4.507 1.00 0.00 N ATOM 0 H GLN A 55 3.902 8.449 -4.315 1.00 0.00 H new ATOM 0 HA GLN A 55 0.978 8.370 -3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.901 9.986 -5.817 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.097 8.487 -6.703 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.133 9.495 -7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.285 7.924 -6.366 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.728 7.799 -4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.225 9.084 -3.739 1.00 0.00 H new ATOM 818 N ILE A 56 2.042 5.979 -3.721 1.00 0.00 N ATOM 819 CA ILE A 56 2.199 4.537 -3.798 1.00 0.00 C ATOM 820 C ILE A 56 1.329 3.993 -4.933 1.00 0.00 C ATOM 821 O ILE A 56 0.359 4.632 -5.338 1.00 0.00 O ATOM 822 CB ILE A 56 1.912 3.893 -2.440 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.860 4.430 -1.367 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.961 2.366 -2.536 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.128 4.631 -0.039 1.00 0.00 C ATOM 0 H ILE A 56 1.966 6.350 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 56 3.231 4.279 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 56 0.900 4.165 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.688 3.735 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.289 5.376 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.754 1.933 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.213 2.022 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.951 2.054 -2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.825 5.013 0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.315 5.345 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.721 3.678 0.300 1.00 0.00 H new ATOM 837 N LYS A 57 1.706 2.818 -5.415 1.00 0.00 N ATOM 838 CA LYS A 57 0.972 2.181 -6.495 1.00 0.00 C ATOM 839 C LYS A 57 1.167 0.665 -6.414 1.00 0.00 C ATOM 840 O LYS A 57 2.294 0.177 -6.466 1.00 0.00 O ATOM 841 CB LYS A 57 1.375 2.781 -7.843 1.00 0.00 C ATOM 842 CG LYS A 57 0.715 4.144 -8.056 1.00 0.00 C ATOM 843 CD LYS A 57 0.520 4.433 -9.546 1.00 0.00 C ATOM 844 CE LYS A 57 0.735 5.917 -9.850 1.00 0.00 C ATOM 845 NZ LYS A 57 1.760 6.087 -10.904 1.00 0.00 N ATOM 0 H LYS A 57 2.511 2.290 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.096 2.371 -6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.459 2.887 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.087 2.104 -8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.249 4.168 -7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.331 4.924 -7.608 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.218 3.834 -10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.485 4.138 -9.849 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.204 6.368 -10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.046 6.438 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.894 7.100 -11.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.659 5.674 -10.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.448 5.606 -11.772 1.00 0.00 H new ATOM 859 N TYR A 58 0.050 -0.036 -6.287 1.00 0.00 N ATOM 860 CA TYR A 58 0.083 -1.486 -6.197 1.00 0.00 C ATOM 861 C TYR A 58 -0.482 -2.127 -7.467 1.00 0.00 C ATOM 862 O TYR A 58 -1.419 -1.603 -8.067 1.00 0.00 O ATOM 863 CB TYR A 58 -0.811 -1.856 -5.012 1.00 0.00 C ATOM 864 CG TYR A 58 -2.301 -1.927 -5.355 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.805 -3.028 -6.017 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.140 -0.890 -5.003 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.207 -3.095 -6.339 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.542 -0.956 -5.326 1.00 0.00 C ATOM 869 CZ TYR A 58 -5.006 -2.056 -5.978 1.00 0.00 C ATOM 870 OH TYR A 58 -6.330 -2.119 -6.283 1.00 0.00 O ATOM 0 H TYR A 58 -0.883 0.373 -6.244 1.00 0.00 H new ATOM 0 HA TYR A 58 1.107 -1.840 -6.074 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.493 -2.821 -4.618 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.666 -1.124 -4.218 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.148 -3.839 -6.294 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.745 -0.028 -4.485 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.615 -3.951 -6.856 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.209 -0.151 -5.057 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.476 -2.804 -6.968 1.00 0.00 H new ATOM 880 N LEU A 59 0.113 -3.251 -7.839 1.00 0.00 N ATOM 881 CA LEU A 59 -0.319 -3.968 -9.026 1.00 0.00 C ATOM 882 C LEU A 59 -1.553 -4.809 -8.688 1.00 0.00 C ATOM 883 O LEU A 59 -1.521 -5.622 -7.766 1.00 0.00 O ATOM 884 CB LEU A 59 0.837 -4.782 -9.611 1.00 0.00 C ATOM 885 CG LEU A 59 1.746 -4.042 -10.595 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.706 -5.011 -11.289 1.00 0.00 C ATOM 887 CD2 LEU A 59 0.924 -3.232 -11.599 1.00 0.00 C ATOM 0 H LEU A 59 0.890 -3.682 -7.339 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.613 -3.268 -9.808 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.449 -5.151 -8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.422 -5.655 -10.116 1.00 0.00 H new ATOM 0 HG LEU A 59 2.354 -3.334 -10.032 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.341 -4.460 -11.983 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.328 -5.504 -10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.134 -5.760 -11.837 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.595 -2.716 -12.286 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.273 -3.902 -12.161 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.317 -2.500 -11.066 1.00 0.00 H new ATOM 899 N ASP A 60 -2.611 -4.583 -9.453 1.00 0.00 N ATOM 900 CA ASP A 60 -3.852 -5.309 -9.247 1.00 0.00 C ATOM 901 C ASP A 60 -3.725 -6.710 -9.848 1.00 0.00 C ATOM 902 O ASP A 60 -2.618 -7.223 -10.006 1.00 0.00 O ATOM 903 CB ASP A 60 -5.023 -4.604 -9.935 1.00 0.00 C ATOM 904 CG ASP A 60 -6.282 -4.456 -9.078 1.00 0.00 C ATOM 905 OD1 ASP A 60 -7.047 -5.442 -9.018 1.00 0.00 O ATOM 906 OD2 ASP A 60 -6.451 -3.359 -8.503 1.00 0.00 O ATOM 0 H ASP A 60 -2.634 -3.907 -10.217 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.040 -5.358 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.697 -3.613 -10.249 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.280 -5.156 -10.839 1.00 0.00 H new ATOM 911 N GLU A 61 -4.873 -7.289 -10.166 1.00 0.00 N ATOM 912 CA GLU A 61 -4.903 -8.621 -10.746 1.00 0.00 C ATOM 913 C GLU A 61 -4.741 -8.543 -12.265 1.00 0.00 C ATOM 914 O GLU A 61 -4.965 -9.526 -12.969 1.00 0.00 O ATOM 915 CB GLU A 61 -6.193 -9.354 -10.370 1.00 0.00 C ATOM 916 CG GLU A 61 -6.164 -9.798 -8.906 1.00 0.00 C ATOM 917 CD GLU A 61 -6.715 -11.218 -8.753 1.00 0.00 C ATOM 918 OE1 GLU A 61 -6.057 -12.141 -9.279 1.00 0.00 O ATOM 919 OE2 GLU A 61 -7.782 -11.347 -8.115 1.00 0.00 O ATOM 0 H GLU A 61 -5.789 -6.861 -10.033 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.068 -9.191 -10.340 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.049 -8.701 -10.539 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.323 -10.223 -11.015 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.142 -9.758 -8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.753 -9.108 -8.301 1.00 0.00 H new ATOM 926 N GLU A 62 -4.351 -7.363 -12.726 1.00 0.00 N ATOM 927 CA GLU A 62 -4.156 -7.143 -14.149 1.00 0.00 C ATOM 928 C GLU A 62 -2.725 -6.675 -14.422 1.00 0.00 C ATOM 929 O GLU A 62 -2.355 -6.435 -15.571 1.00 0.00 O ATOM 930 CB GLU A 62 -5.175 -6.140 -14.694 1.00 0.00 C ATOM 931 CG GLU A 62 -6.604 -6.656 -14.512 1.00 0.00 C ATOM 932 CD GLU A 62 -7.462 -6.338 -15.737 1.00 0.00 C ATOM 933 OE1 GLU A 62 -7.410 -7.144 -16.691 1.00 0.00 O ATOM 934 OE2 GLU A 62 -8.151 -5.296 -15.693 1.00 0.00 O ATOM 0 H GLU A 62 -4.165 -6.550 -12.139 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.314 -8.088 -14.668 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.061 -5.185 -14.181 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.982 -5.958 -15.751 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.587 -7.733 -14.345 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.048 -6.203 -13.625 1.00 0.00 H new ATOM 941 N ASN A 63 -1.959 -6.558 -13.347 1.00 0.00 N ATOM 942 CA ASN A 63 -0.578 -6.123 -13.457 1.00 0.00 C ATOM 943 C ASN A 63 -0.543 -4.628 -13.781 1.00 0.00 C ATOM 944 O ASN A 63 0.402 -4.146 -14.405 1.00 0.00 O ATOM 945 CB ASN A 63 0.147 -6.867 -14.580 1.00 0.00 C ATOM 946 CG ASN A 63 1.575 -7.229 -14.165 1.00 0.00 C ATOM 947 OD1 ASN A 63 2.445 -6.384 -14.035 1.00 0.00 O ATOM 948 ND2 ASN A 63 1.766 -8.530 -13.967 1.00 0.00 N ATOM 0 H ASN A 63 -2.269 -6.757 -12.396 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.083 -6.331 -12.509 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.402 -7.773 -14.835 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.171 -6.247 -15.476 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.685 -8.874 -13.689 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.993 -9.184 -14.093 1.00 0.00 H new ATOM 955 N GLU A 64 -1.584 -3.935 -13.342 1.00 0.00 N ATOM 956 CA GLU A 64 -1.684 -2.505 -13.578 1.00 0.00 C ATOM 957 C GLU A 64 -1.500 -1.737 -12.267 1.00 0.00 C ATOM 958 O GLU A 64 -2.170 -2.024 -11.276 1.00 0.00 O ATOM 959 CB GLU A 64 -3.017 -2.150 -14.238 1.00 0.00 C ATOM 960 CG GLU A 64 -3.040 -2.597 -15.702 1.00 0.00 C ATOM 961 CD GLU A 64 -4.455 -2.512 -16.279 1.00 0.00 C ATOM 962 OE1 GLU A 64 -5.172 -1.566 -15.887 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.787 -3.395 -17.099 1.00 0.00 O ATOM 0 H GLU A 64 -2.365 -4.338 -12.824 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.888 -2.213 -14.263 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.834 -2.626 -13.696 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.181 -1.074 -14.180 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.366 -1.971 -16.288 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.673 -3.620 -15.779 1.00 0.00 H new ATOM 970 N GLU A 65 -0.589 -0.776 -12.304 1.00 0.00 N ATOM 971 CA GLU A 65 -0.308 0.035 -11.132 1.00 0.00 C ATOM 972 C GLU A 65 -1.580 0.743 -10.660 1.00 0.00 C ATOM 973 O GLU A 65 -2.221 1.456 -11.430 1.00 0.00 O ATOM 974 CB GLU A 65 0.806 1.044 -11.417 1.00 0.00 C ATOM 975 CG GLU A 65 2.148 0.337 -11.615 1.00 0.00 C ATOM 976 CD GLU A 65 3.242 1.334 -12.002 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.448 2.284 -11.216 1.00 0.00 O ATOM 978 OE2 GLU A 65 3.848 1.124 -13.075 1.00 0.00 O ATOM 0 H GLU A 65 -0.036 -0.541 -13.128 1.00 0.00 H new ATOM 0 HA GLU A 65 0.037 -0.622 -10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.560 1.621 -12.308 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.882 1.751 -10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.430 -0.179 -10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.052 -0.422 -12.391 1.00 0.00 H new ATOM 985 N VAL A 66 -1.907 0.521 -9.395 1.00 0.00 N ATOM 986 CA VAL A 66 -3.091 1.128 -8.811 1.00 0.00 C ATOM 987 C VAL A 66 -2.674 2.037 -7.653 1.00 0.00 C ATOM 988 O VAL A 66 -2.074 1.577 -6.682 1.00 0.00 O ATOM 989 CB VAL A 66 -4.083 0.042 -8.390 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.343 0.657 -7.778 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.434 -0.867 -9.570 1.00 0.00 C ATOM 0 H VAL A 66 -1.373 -0.071 -8.759 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.603 1.750 -9.546 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.605 -0.570 -7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.031 -0.137 -7.488 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.072 1.242 -6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.825 1.305 -8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.141 -1.630 -9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.883 -0.273 -10.366 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.528 -1.346 -9.942 1.00 0.00 H new ATOM 1001 N SER A 67 -3.007 3.312 -7.793 1.00 0.00 N ATOM 1002 CA SER A 67 -2.675 4.289 -6.771 1.00 0.00 C ATOM 1003 C SER A 67 -3.810 4.386 -5.751 1.00 0.00 C ATOM 1004 O SER A 67 -4.980 4.465 -6.123 1.00 0.00 O ATOM 1005 CB SER A 67 -2.399 5.661 -7.390 1.00 0.00 C ATOM 1006 OG SER A 67 -3.599 6.395 -7.617 1.00 0.00 O ATOM 0 H SER A 67 -3.504 3.691 -8.599 1.00 0.00 H new ATOM 0 HA SER A 67 -1.768 3.959 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.744 6.231 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.868 5.533 -8.333 1.00 0.00 H new ATOM 0 HG SER A 67 -3.381 7.265 -8.011 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.426 4.377 -4.483 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.397 4.463 -3.405 1.00 0.00 C ATOM 1014 C ILE A 68 -4.430 5.894 -2.866 1.00 0.00 C ATOM 1015 O ILE A 68 -3.383 6.500 -2.642 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.105 3.409 -2.335 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -4.115 2.001 -2.935 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -5.075 3.538 -1.159 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.574 0.976 -1.936 1.00 0.00 C ATOM 0 H ILE A 68 -2.455 4.311 -4.178 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.397 4.239 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.102 3.586 -1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.131 1.732 -3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.511 1.984 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.846 2.777 -0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.975 4.527 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.097 3.402 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.592 -0.016 -2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.550 1.235 -1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.195 0.978 -1.040 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.642 6.393 -2.674 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.824 7.742 -2.165 1.00 0.00 C ATOM 1033 C ASN A 69 -6.613 7.686 -0.856 1.00 0.00 C ATOM 1034 O ASN A 69 -6.296 8.399 0.095 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.612 8.602 -3.155 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.673 9.461 -4.004 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.549 10.661 -3.817 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -5.020 8.783 -4.943 1.00 0.00 N ATOM 0 H ASN A 69 -6.508 5.888 -2.862 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.838 8.180 -2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.210 7.961 -3.803 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.306 9.243 -2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.368 9.266 -5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.171 7.779 -5.045 1.00 0.00 H new ATOM 1045 N SER A 70 -7.625 6.831 -0.848 1.00 0.00 N ATOM 1046 CA SER A 70 -8.462 6.673 0.330 1.00 0.00 C ATOM 1047 C SER A 70 -8.417 5.222 0.813 1.00 0.00 C ATOM 1048 O SER A 70 -7.763 4.380 0.200 1.00 0.00 O ATOM 1049 CB SER A 70 -9.905 7.092 0.041 1.00 0.00 C ATOM 1050 OG SER A 70 -10.440 7.913 1.075 1.00 0.00 O ATOM 0 H SER A 70 -7.885 6.240 -1.638 1.00 0.00 H new ATOM 0 HA SER A 70 -8.074 7.323 1.115 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.943 7.631 -0.906 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.525 6.203 -0.073 1.00 0.00 H new ATOM 0 HG SER A 70 -11.362 8.161 0.852 1.00 0.00 H new ATOM 1056 N GLN A 71 -9.119 4.975 1.909 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.168 3.640 2.481 1.00 0.00 C ATOM 1058 C GLN A 71 -9.769 2.654 1.478 1.00 0.00 C ATOM 1059 O GLN A 71 -9.154 1.639 1.155 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.953 3.635 3.794 1.00 0.00 C ATOM 1061 CG GLN A 71 -10.057 2.219 4.365 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.355 2.121 5.720 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.819 2.631 6.727 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -8.213 1.440 5.690 1.00 0.00 N ATOM 0 H GLN A 71 -9.659 5.677 2.416 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.149 3.324 2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.464 4.288 4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.952 4.038 3.626 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.106 1.943 4.474 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.612 1.509 3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.881 1.039 4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.669 1.319 6.544 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.964 2.987 1.013 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.656 2.143 0.054 1.00 0.00 C ATOM 1075 C GLY A 72 -10.673 1.535 -0.950 1.00 0.00 C ATOM 1076 O GLY A 72 -10.701 0.331 -1.200 1.00 0.00 O ATOM 0 H GLY A 72 -11.471 3.830 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.184 1.347 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.407 2.729 -0.476 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.829 2.397 -1.498 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.840 1.960 -2.469 1.00 0.00 C ATOM 1082 C GLU A 73 -7.896 0.933 -1.840 1.00 0.00 C ATOM 1083 O GLU A 73 -7.605 -0.099 -2.443 1.00 0.00 O ATOM 1084 CB GLU A 73 -8.059 3.150 -3.030 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.833 3.829 -4.162 1.00 0.00 C ATOM 1086 CD GLU A 73 -7.877 4.432 -5.194 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.390 3.652 -6.040 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.657 5.660 -5.113 1.00 0.00 O ATOM 0 H GLU A 73 -9.810 3.395 -1.288 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.361 1.485 -3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.865 3.870 -2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.090 2.813 -3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.487 3.104 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.472 4.611 -3.752 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.444 1.251 -0.636 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.539 0.369 0.081 1.00 0.00 C ATOM 1097 C TYR A 74 -7.226 -0.953 0.431 1.00 0.00 C ATOM 1098 O TYR A 74 -6.669 -2.026 0.202 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.175 1.099 1.375 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.205 0.329 2.273 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.266 -0.513 1.711 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.269 0.475 3.643 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.353 -1.238 2.556 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.356 -0.250 4.488 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.443 -1.071 3.903 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.580 -1.756 4.701 1.00 0.00 O ATOM 0 H TYR A 74 -7.688 2.108 -0.139 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.665 0.138 -0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.734 2.063 1.124 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.088 1.302 1.934 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.216 -0.628 0.638 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.004 1.133 4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.613 -1.900 2.130 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.395 -0.144 5.562 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.083 -2.371 5.274 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.425 -0.833 0.980 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.193 -2.005 1.365 1.00 0.00 C ATOM 1118 C GLU A 75 -9.077 -3.091 0.293 1.00 0.00 C ATOM 1119 O GLU A 75 -8.519 -4.158 0.543 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.657 -1.642 1.620 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.814 -0.893 2.945 1.00 0.00 C ATOM 1122 CD GLU A 75 -12.031 -1.399 3.721 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -13.146 -0.941 3.389 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -11.820 -2.233 4.628 1.00 0.00 O ATOM 0 H GLU A 75 -8.884 0.058 1.168 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.782 -2.395 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.030 -1.024 0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.262 -2.548 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.915 -1.021 3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.919 0.175 2.753 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.612 -2.781 -0.879 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.575 -3.717 -1.990 1.00 0.00 C ATOM 1133 C GLU A 76 -8.171 -4.305 -2.141 1.00 0.00 C ATOM 1134 O GLU A 76 -7.996 -5.522 -2.096 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.032 -3.046 -3.287 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.542 -2.798 -3.274 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.288 -3.914 -4.007 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -11.799 -4.307 -5.089 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.330 -4.348 -3.471 1.00 0.00 O ATOM 0 H GLU A 76 -10.074 -1.895 -1.083 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.268 -4.531 -1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.506 -2.100 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.771 -3.675 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.895 -2.735 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.761 -1.840 -3.745 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.207 -3.414 -2.319 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.824 -3.830 -2.478 1.00 0.00 C ATOM 1148 C ALA A 77 -5.480 -4.863 -1.403 1.00 0.00 C ATOM 1149 O ALA A 77 -4.835 -5.871 -1.689 1.00 0.00 O ATOM 1150 CB ALA A 77 -4.912 -2.603 -2.420 1.00 0.00 C ATOM 0 H ALA A 77 -7.356 -2.406 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.674 -4.302 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.874 -2.915 -2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.178 -1.914 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.033 -2.105 -1.458 1.00 0.00 H new ATOM 1156 N LEU A 78 -5.925 -4.578 -0.188 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.673 -5.470 0.931 1.00 0.00 C ATOM 1158 C LEU A 78 -6.388 -6.800 0.688 1.00 0.00 C ATOM 1159 O LEU A 78 -5.876 -7.859 1.047 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.057 -4.797 2.250 1.00 0.00 C ATOM 1161 CG LEU A 78 -5.029 -3.824 2.831 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.661 -2.934 3.903 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.803 -4.572 3.357 1.00 0.00 C ATOM 0 H LEU A 78 -6.459 -3.741 0.046 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.608 -5.690 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.993 -4.259 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.250 -5.575 2.989 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.687 -3.169 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.909 -2.252 4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.477 -2.359 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.048 -3.556 4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.088 -3.857 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.108 -5.266 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.338 -5.126 2.542 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.561 -6.703 0.080 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.352 -7.885 -0.215 1.00 0.00 C ATOM 1177 C LYS A 79 -7.617 -8.740 -1.250 1.00 0.00 C ATOM 1178 O LYS A 79 -7.591 -9.965 -1.142 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.769 -7.491 -0.638 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.587 -7.016 0.565 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.322 -5.712 0.247 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.354 -5.387 1.328 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.373 -4.448 0.807 1.00 0.00 N ATOM 0 H LYS A 79 -7.983 -5.823 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.470 -8.497 0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.722 -6.700 -1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.263 -8.343 -1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.307 -7.784 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.929 -6.867 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.604 -4.896 0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.817 -5.796 -0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.836 -6.304 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.857 -4.950 2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.066 -4.238 1.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.911 -3.566 0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.859 -4.879 -0.005 1.00 0.00 H new ATOM 1197 N MET A 80 -7.038 -8.060 -2.229 1.00 0.00 N ATOM 1198 CA MET A 80 -6.305 -8.741 -3.282 1.00 0.00 C ATOM 1199 C MET A 80 -5.038 -9.399 -2.731 1.00 0.00 C ATOM 1200 O MET A 80 -4.720 -10.533 -3.083 1.00 0.00 O ATOM 1201 CB MET A 80 -5.927 -7.737 -4.373 1.00 0.00 C ATOM 1202 CG MET A 80 -5.701 -8.442 -5.712 1.00 0.00 C ATOM 1203 SD MET A 80 -4.797 -7.373 -6.819 1.00 0.00 S ATOM 1204 CE MET A 80 -3.129 -7.905 -6.470 1.00 0.00 C ATOM 0 H MET A 80 -7.062 -7.044 -2.315 1.00 0.00 H new ATOM 0 HA MET A 80 -6.944 -9.520 -3.699 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.717 -6.994 -4.478 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.023 -7.202 -4.082 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.149 -9.369 -5.556 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.659 -8.713 -6.156 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.543 -7.057 -6.115 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.147 -8.680 -5.704 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.677 -8.303 -7.378 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.349 -8.657 -1.875 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.124 -9.154 -1.272 1.00 0.00 C ATOM 1216 C ALA A 81 -3.367 -10.559 -0.718 1.00 0.00 C ATOM 1217 O ALA A 81 -2.526 -11.444 -0.870 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.653 -8.175 -0.195 1.00 0.00 C ATOM 0 H ALA A 81 -4.616 -7.716 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.331 -9.227 -2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.734 -8.547 0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.467 -7.200 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.422 -8.079 0.571 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.520 -10.720 -0.087 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.884 -12.003 0.491 1.00 0.00 C ATOM 1226 C VAL A 82 -4.808 -13.084 -0.589 1.00 0.00 C ATOM 1227 O VAL A 82 -4.276 -14.167 -0.352 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.263 -11.909 1.147 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.709 -13.271 1.684 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.273 -10.854 2.255 1.00 0.00 C ATOM 0 H VAL A 82 -5.215 -9.984 0.037 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.183 -12.280 1.278 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.976 -11.600 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.692 -13.176 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.761 -13.986 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.992 -13.622 2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.265 -10.808 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.541 -11.120 3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.020 -9.881 1.833 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.348 -12.752 -1.752 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.349 -13.681 -2.870 1.00 0.00 C ATOM 1242 C LYS A 83 -3.911 -14.110 -3.170 1.00 0.00 C ATOM 1243 O LYS A 83 -3.628 -15.301 -3.290 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.073 -13.072 -4.072 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.542 -12.798 -3.746 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.410 -12.894 -5.003 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.193 -11.599 -5.228 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.560 -11.897 -5.713 1.00 0.00 N ATOM 0 H LYS A 83 -5.788 -11.852 -1.945 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.906 -14.583 -2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.582 -12.144 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.006 -13.750 -4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.893 -13.513 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.642 -11.806 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.781 -13.098 -5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.103 -13.730 -4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.246 -11.033 -4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.672 -10.973 -5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.078 -11.007 -5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.504 -12.418 -6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.060 -12.476 -5.008 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.042 -13.117 -3.284 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.641 -13.377 -3.568 1.00 0.00 C ATOM 1264 C GLN A 84 -1.050 -14.314 -2.513 1.00 0.00 C ATOM 1265 O GLN A 84 -0.711 -15.458 -2.813 1.00 0.00 O ATOM 1266 CB GLN A 84 -0.846 -12.072 -3.649 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.624 -11.004 -4.420 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.750 -10.360 -5.498 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.128 -11.027 -6.309 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.739 -9.031 -5.464 1.00 0.00 N ATOM 0 H GLN A 84 -3.281 -12.130 -3.185 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.573 -13.866 -4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.627 -11.713 -2.644 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.111 -12.254 -4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.505 -11.452 -4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.979 -10.239 -3.730 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.283 -8.534 -4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.187 -8.508 -6.144 1.00 0.00 H new ATOM 1279 N GLY A 85 -0.946 -13.795 -1.299 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.402 -14.571 -0.197 1.00 0.00 C ATOM 1281 C GLY A 85 -0.149 -13.686 1.025 1.00 0.00 C ATOM 1282 O GLY A 85 0.885 -13.806 1.680 1.00 0.00 O ATOM 0 H GLY A 85 -1.229 -12.846 -1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.094 -15.371 0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.530 -15.045 -0.506 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.112 -12.817 1.295 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.006 -11.912 2.427 1.00 0.00 C ATOM 1288 C ASN A 86 0.085 -10.877 2.147 1.00 0.00 C ATOM 1289 O ASN A 86 0.747 -10.402 3.070 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.627 -12.666 3.703 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.486 -13.920 3.874 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.169 -14.994 3.388 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.590 -13.726 4.591 1.00 0.00 N ATOM 0 H ASN A 86 -1.969 -12.720 0.750 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.975 -11.433 2.567 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.426 -12.945 3.666 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.754 -12.013 4.567 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.230 -14.502 4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.796 -12.802 4.969 1.00 0.00 H new ATOM 1300 N GLN A 87 0.241 -10.558 0.871 1.00 0.00 N ATOM 1301 CA GLN A 87 1.241 -9.588 0.458 1.00 0.00 C ATOM 1302 C GLN A 87 0.746 -8.798 -0.755 1.00 0.00 C ATOM 1303 O GLN A 87 -0.131 -9.259 -1.485 1.00 0.00 O ATOM 1304 CB GLN A 87 2.577 -10.272 0.159 1.00 0.00 C ATOM 1305 CG GLN A 87 2.481 -11.134 -1.101 1.00 0.00 C ATOM 1306 CD GLN A 87 2.895 -10.340 -2.342 1.00 0.00 C ATOM 1307 OE1 GLN A 87 3.127 -9.143 -2.296 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.976 -11.071 -3.450 1.00 0.00 N ATOM 0 H GLN A 87 -0.309 -10.954 0.109 1.00 0.00 H new ATOM 0 HA GLN A 87 1.403 -8.890 1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.355 -9.519 0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.870 -10.892 1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.120 -12.011 -0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.460 -11.497 -1.221 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.768 -12.069 -3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.246 -10.634 -4.331 1.00 0.00 H new ATOM 1317 N LEU A 88 1.328 -7.622 -0.933 1.00 0.00 N ATOM 1318 CA LEU A 88 0.957 -6.763 -2.045 1.00 0.00 C ATOM 1319 C LEU A 88 2.203 -6.046 -2.568 1.00 0.00 C ATOM 1320 O LEU A 88 3.036 -5.591 -1.786 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.172 -5.815 -1.636 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.867 -5.069 -2.777 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.509 -6.048 -3.762 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.878 -4.056 -2.234 1.00 0.00 C ATOM 0 H LEU A 88 2.055 -7.243 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 88 0.561 -7.356 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.923 -6.389 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.232 -5.080 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.112 -4.507 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.996 -5.492 -4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.741 -6.695 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.249 -6.656 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.358 -3.539 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.634 -4.576 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.363 -3.330 -1.604 1.00 0.00 H new ATOM 1336 N GLN A 89 2.292 -5.968 -3.888 1.00 0.00 N ATOM 1337 CA GLN A 89 3.422 -5.313 -4.524 1.00 0.00 C ATOM 1338 C GLN A 89 3.096 -3.845 -4.806 1.00 0.00 C ATOM 1339 O GLN A 89 2.417 -3.533 -5.783 1.00 0.00 O ATOM 1340 CB GLN A 89 3.825 -6.041 -5.808 1.00 0.00 C ATOM 1341 CG GLN A 89 5.253 -6.581 -5.707 1.00 0.00 C ATOM 1342 CD GLN A 89 6.276 -5.451 -5.831 1.00 0.00 C ATOM 1343 OE1 GLN A 89 6.533 -4.706 -4.899 1.00 0.00 O ATOM 1344 NE2 GLN A 89 6.846 -5.365 -7.030 1.00 0.00 N ATOM 0 H GLN A 89 1.600 -6.348 -4.534 1.00 0.00 H new ATOM 0 HA GLN A 89 4.271 -5.351 -3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.134 -6.863 -5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 89 3.749 -5.360 -6.656 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.385 -7.093 -4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.423 -7.318 -6.492 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.585 -6.021 -7.767 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.544 -4.644 -7.212 1.00 0.00 H new ATOM 1353 N MET A 90 3.596 -2.983 -3.932 1.00 0.00 N ATOM 1354 CA MET A 90 3.366 -1.556 -4.075 1.00 0.00 C ATOM 1355 C MET A 90 4.628 -0.844 -4.567 1.00 0.00 C ATOM 1356 O MET A 90 5.737 -1.345 -4.390 1.00 0.00 O ATOM 1357 CB MET A 90 2.943 -0.970 -2.726 1.00 0.00 C ATOM 1358 CG MET A 90 1.687 -1.665 -2.196 1.00 0.00 C ATOM 1359 SD MET A 90 1.557 -1.427 -0.432 1.00 0.00 S ATOM 1360 CE MET A 90 0.239 -0.224 -0.378 1.00 0.00 C ATOM 0 H MET A 90 4.159 -3.246 -3.123 1.00 0.00 H new ATOM 0 HA MET A 90 2.576 -1.406 -4.811 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.755 -1.080 -2.007 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.754 0.098 -2.833 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.803 -1.264 -2.692 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.726 -2.730 -2.426 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.459 0.522 0.386 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.152 0.265 -1.349 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.700 -0.723 -0.138 1.00 0.00 H new ATOM 1370 N GLN A 91 4.416 0.313 -5.177 1.00 0.00 N ATOM 1371 CA GLN A 91 5.522 1.099 -5.697 1.00 0.00 C ATOM 1372 C GLN A 91 5.354 2.571 -5.314 1.00 0.00 C ATOM 1373 O GLN A 91 4.369 3.205 -5.689 1.00 0.00 O ATOM 1374 CB GLN A 91 5.645 0.937 -7.213 1.00 0.00 C ATOM 1375 CG GLN A 91 6.242 -0.425 -7.573 1.00 0.00 C ATOM 1376 CD GLN A 91 6.088 -0.713 -9.068 1.00 0.00 C ATOM 1377 OE1 GLN A 91 6.667 -0.055 -9.916 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.277 -1.732 -9.341 1.00 0.00 N ATOM 0 H GLN A 91 3.494 0.725 -5.323 1.00 0.00 H new ATOM 0 HA GLN A 91 6.445 0.731 -5.250 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.663 1.041 -7.674 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.272 1.731 -7.617 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.297 -0.447 -7.302 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.748 -1.207 -6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.824 -2.241 -8.582 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.109 -2.004 -10.309 1.00 0.00 H new ATOM 1387 N VAL A 92 6.331 3.072 -4.572 1.00 0.00 N ATOM 1388 CA VAL A 92 6.303 4.457 -4.135 1.00 0.00 C ATOM 1389 C VAL A 92 6.562 5.371 -5.334 1.00 0.00 C ATOM 1390 O VAL A 92 7.394 5.063 -6.186 1.00 0.00 O ATOM 1391 CB VAL A 92 7.304 4.666 -2.996 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.922 6.064 -3.060 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.648 4.418 -1.637 1.00 0.00 C ATOM 0 H VAL A 92 7.147 2.543 -4.263 1.00 0.00 H new ATOM 0 HA VAL A 92 5.321 4.713 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 92 8.107 3.939 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.629 6.187 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.442 6.189 -4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.135 6.814 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.381 4.573 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.817 5.110 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.278 3.394 -1.593 1.00 0.00 H new ATOM 1403 N HIS A 93 5.835 6.478 -5.362 1.00 0.00 N ATOM 1404 CA HIS A 93 5.975 7.439 -6.442 1.00 0.00 C ATOM 1405 C HIS A 93 5.897 8.860 -5.879 1.00 0.00 C ATOM 1406 O HIS A 93 4.810 9.421 -5.749 1.00 0.00 O ATOM 1407 CB HIS A 93 4.942 7.178 -7.539 1.00 0.00 C ATOM 1408 CG HIS A 93 5.142 5.875 -8.274 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.150 5.685 -9.203 1.00 0.00 N ATOM 1410 CD2 HIS A 93 4.454 4.699 -8.207 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.063 4.447 -9.668 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.011 3.838 -9.050 1.00 0.00 N ATOM 0 H HIS A 93 5.147 6.731 -4.653 1.00 0.00 H new ATOM 0 HA HIS A 93 6.953 7.325 -6.910 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.947 7.184 -7.095 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.975 7.997 -8.257 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.601 4.502 -7.575 1.00 0.00 H new ATOM 0 HE1 HIS A 93 6.711 3.999 -10.407 1.00 0.00 H new ATOM 0 HE2 HIS A 93 4.703 2.879 -9.209 1.00 0.00 H new ATOM 1420 N GLU A 94 7.063 9.401 -5.559 1.00 0.00 N ATOM 1421 CA GLU A 94 7.140 10.745 -5.013 1.00 0.00 C ATOM 1422 C GLU A 94 6.133 11.660 -5.712 1.00 0.00 C ATOM 1423 O GLU A 94 5.837 11.477 -6.891 1.00 0.00 O ATOM 1424 CB GLU A 94 8.560 11.303 -5.128 1.00 0.00 C ATOM 1425 CG GLU A 94 9.035 11.873 -3.790 1.00 0.00 C ATOM 1426 CD GLU A 94 8.648 13.347 -3.654 1.00 0.00 C ATOM 1427 OE1 GLU A 94 8.639 14.031 -4.700 1.00 0.00 O ATOM 1428 OE2 GLU A 94 8.369 13.757 -2.506 1.00 0.00 O ATOM 0 H GLU A 94 7.963 8.933 -5.667 1.00 0.00 H new ATOM 0 HA GLU A 94 6.887 10.701 -3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.239 10.515 -5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.588 12.082 -5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.598 11.301 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.117 11.768 -3.710 1.00 0.00 H new ATOM 1435 N GLY A 95 5.634 12.626 -4.954 1.00 0.00 N ATOM 1436 CA GLY A 95 4.666 13.570 -5.485 1.00 0.00 C ATOM 1437 C GLY A 95 3.253 12.982 -5.457 1.00 0.00 C ATOM 1438 O GLY A 95 3.003 11.931 -6.043 1.00 0.00 O ATOM 0 H GLY A 95 5.882 12.775 -3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.692 14.490 -4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.934 13.834 -6.508 1.00 0.00 H new ATOM 1442 N SER A 96 2.368 13.687 -4.768 1.00 0.00 N ATOM 1443 CA SER A 96 0.987 13.248 -4.655 1.00 0.00 C ATOM 1444 C SER A 96 0.268 13.433 -5.992 1.00 0.00 C ATOM 1445 O SER A 96 0.888 13.802 -6.989 1.00 0.00 O ATOM 1446 CB SER A 96 0.256 14.011 -3.549 1.00 0.00 C ATOM 1447 OG SER A 96 0.350 13.349 -2.290 1.00 0.00 O ATOM 0 H SER A 96 2.580 14.559 -4.283 1.00 0.00 H new ATOM 0 HA SER A 96 0.985 12.190 -4.392 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.674 15.014 -3.463 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.793 14.126 -3.821 1.00 0.00 H new ATOM 0 HG SER A 96 -0.128 13.869 -1.611 1.00 0.00 H new ATOM 1453 N GLY A 97 -1.030 13.170 -5.971 1.00 0.00 N ATOM 1454 CA GLY A 97 -1.841 13.303 -7.170 1.00 0.00 C ATOM 1455 C GLY A 97 -1.926 14.765 -7.614 1.00 0.00 C ATOM 1456 O GLY A 97 -1.250 15.627 -7.057 1.00 0.00 O ATOM 0 H GLY A 97 -1.541 12.865 -5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.414 12.700 -7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.843 12.918 -6.981 1.00 0.00 H new ATOM 1460 N PRO A 98 -2.786 15.004 -8.641 1.00 0.00 N ATOM 1461 CA PRO A 98 -2.968 16.346 -9.167 1.00 0.00 C ATOM 1462 C PRO A 98 -3.813 17.197 -8.216 1.00 0.00 C ATOM 1463 O PRO A 98 -3.359 18.236 -7.739 1.00 0.00 O ATOM 1464 CB PRO A 98 -3.619 16.151 -10.526 1.00 0.00 C ATOM 1465 CG PRO A 98 -4.199 14.746 -10.512 1.00 0.00 C ATOM 1466 CD PRO A 98 -3.603 14.007 -9.326 1.00 0.00 C ATOM 0 HA PRO A 98 -2.029 16.891 -9.265 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.398 16.894 -10.696 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -2.890 16.265 -11.328 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -5.285 14.782 -10.432 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.965 14.227 -11.442 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -4.382 13.615 -8.671 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -3.002 13.157 -9.650 1.00 0.00 H new ATOM 1474 N SER A 99 -5.026 16.725 -7.969 1.00 0.00 N ATOM 1475 CA SER A 99 -5.938 17.429 -7.084 1.00 0.00 C ATOM 1476 C SER A 99 -6.314 18.783 -7.690 1.00 0.00 C ATOM 1477 O SER A 99 -5.440 19.564 -8.063 1.00 0.00 O ATOM 1478 CB SER A 99 -5.320 17.622 -5.697 1.00 0.00 C ATOM 1479 OG SER A 99 -4.897 16.387 -5.125 1.00 0.00 O ATOM 0 H SER A 99 -5.399 15.863 -8.367 1.00 0.00 H new ATOM 0 HA SER A 99 -6.839 16.826 -6.970 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.468 18.298 -5.770 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.048 18.096 -5.039 1.00 0.00 H new ATOM 0 HG SER A 99 -4.507 16.552 -4.241 1.00 0.00 H new ATOM 1485 N SER A 100 -7.615 19.018 -7.770 1.00 0.00 N ATOM 1486 CA SER A 100 -8.118 20.264 -8.324 1.00 0.00 C ATOM 1487 C SER A 100 -7.282 20.671 -9.538 1.00 0.00 C ATOM 1488 O SER A 100 -6.282 21.375 -9.400 1.00 0.00 O ATOM 1489 CB SER A 100 -8.108 21.377 -7.275 1.00 0.00 C ATOM 1490 OG SER A 100 -9.386 21.991 -7.136 1.00 0.00 O ATOM 0 H SER A 100 -8.337 18.367 -7.460 1.00 0.00 H new ATOM 0 HA SER A 100 -9.150 20.107 -8.637 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.796 20.967 -6.314 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.372 22.131 -7.554 1.00 0.00 H new ATOM 0 HG SER A 100 -9.338 22.695 -6.456 1.00 0.00 H new ATOM 1496 N GLY A 101 -7.721 20.211 -10.701 1.00 0.00 N ATOM 1497 CA GLY A 101 -7.025 20.519 -11.939 1.00 0.00 C ATOM 1498 C GLY A 101 -5.532 20.207 -11.821 1.00 0.00 C ATOM 1499 O GLY A 101 -5.062 19.198 -12.345 1.00 0.00 O ATOM 0 H GLY A 101 -8.550 19.627 -10.812 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -7.457 19.942 -12.757 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -7.162 21.572 -12.185 1.00 0.00 H new TER 1503 GLY A 101