USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 908 hydrogens (12 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 55 SER OG : rot 17:sc= 1.01 USER MOD Set 1.2: A 99 CYS SG : rot 180:sc= 0.195 USER MOD Single : A 1 ATP O2' : rot 23:sc= 0.492 USER MOD Single : A 1 ATP O3' : rot -59:sc= 1.61 USER MOD Single : A 25 SER OG : rot -29:sc= 0.109 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.95!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00255 USER MOD Single : A 34 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.21) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0592 USER MOD Single : A 42 HIS :FLIP no HD1:sc= -0.802 F(o=-2.3!,f=-0.8) USER MOD Single : A 43 ASN : amide:sc=-0.00161 K(o=-0.0016,f=-1.9!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0186 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -5.99! C(o=-6!,f=-17!) USER MOD Single : A 64 SER OG : rot -134:sc= -5.9! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00152 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 166:sc= -0.328 (180deg=-0.566) USER MOD Single : A 88 GLN : amide:sc= -0.0373 K(o=-0.037,f=-1.9!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 160:sc= -0.382 USER MOD Single : A 100 HIS : no HE2:sc= -0.144 K(o=-0.14,f=-6!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 106 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.722 K(o=-0.72,f=-2.4!) USER MOD Single : A 109 GLN :FLIP amide:sc= -0.0161 F(o=-1.5!,f=-0.016) USER MOD Single : A 112 THR OG1 : rot -170:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 162:sc= -0.0388 (180deg=-0.538) USER MOD Single : A 119 GLN :FLIP amide:sc= -7.44! C(o=-8.1!,f=-7.4!) USER MOD Single : A 120 SER OG : rot 18:sc= -0.261 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot -58:sc= 0.217 USER MOD Single : A 133 THR OG1 : rot -80:sc= 0.837 USER MOD Single : A 137 GLN :FLIP amide:sc= -6.1 F(o=-8.2!,f=-6.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 5.396 -12.887 -11.862 1.00 0.00 N ATOM 2 CA GLY A 17 6.716 -13.522 -12.135 1.00 0.00 C ATOM 3 C GLY A 17 7.643 -12.504 -12.801 1.00 0.00 C ATOM 4 O GLY A 17 7.266 -11.376 -13.051 1.00 0.00 O ATOM 0 HA2 GLY A 17 7.159 -13.880 -11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.587 -14.390 -12.781 1.00 0.00 H new ATOM 10 N ALA A 18 8.855 -12.892 -13.090 1.00 0.00 N ATOM 11 CA ALA A 18 9.805 -11.945 -13.740 1.00 0.00 C ATOM 12 C ALA A 18 10.943 -12.732 -14.397 1.00 0.00 C ATOM 13 O ALA A 18 12.098 -12.564 -14.059 1.00 0.00 O ATOM 14 CB ALA A 18 10.383 -11.000 -12.685 1.00 0.00 C ATOM 0 H ALA A 18 9.228 -13.823 -12.904 1.00 0.00 H new ATOM 0 HA ALA A 18 9.278 -11.366 -14.499 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.078 -10.307 -13.159 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.574 -10.439 -12.217 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.909 -11.580 -11.927 1.00 0.00 H new ATOM 20 N PRO A 19 10.616 -13.585 -15.332 1.00 0.00 N ATOM 21 CA PRO A 19 11.623 -14.416 -16.054 1.00 0.00 C ATOM 22 C PRO A 19 12.403 -13.600 -17.092 1.00 0.00 C ATOM 23 O PRO A 19 12.777 -14.098 -18.135 1.00 0.00 O ATOM 24 CB PRO A 19 10.769 -15.494 -16.732 1.00 0.00 C ATOM 25 CG PRO A 19 9.449 -14.832 -16.973 1.00 0.00 C ATOM 26 CD PRO A 19 9.245 -13.855 -15.807 1.00 0.00 C ATOM 0 HA PRO A 19 12.383 -14.822 -15.386 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.221 -15.829 -17.666 1.00 0.00 H new ATOM 0 HB3 PRO A 19 10.662 -16.373 -16.096 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.445 -14.306 -17.928 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.645 -15.567 -17.011 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.747 -12.942 -16.132 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.628 -14.292 -15.022 1.00 0.00 H new ATOM 34 N GLU A 20 12.650 -12.349 -16.813 1.00 0.00 N ATOM 35 CA GLU A 20 13.403 -11.503 -17.782 1.00 0.00 C ATOM 36 C GLU A 20 13.769 -10.173 -17.120 1.00 0.00 C ATOM 37 O GLU A 20 13.214 -9.801 -16.105 1.00 0.00 O ATOM 38 CB GLU A 20 12.531 -11.239 -19.012 1.00 0.00 C ATOM 39 CG GLU A 20 13.343 -10.474 -20.060 1.00 0.00 C ATOM 40 CD GLU A 20 12.618 -10.527 -21.406 1.00 0.00 C ATOM 41 OE1 GLU A 20 11.512 -10.016 -21.481 1.00 0.00 O ATOM 42 OE2 GLU A 20 13.180 -11.076 -22.339 1.00 0.00 O ATOM 0 H GLU A 20 12.363 -11.876 -15.956 1.00 0.00 H new ATOM 0 HA GLU A 20 14.313 -12.020 -18.086 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.177 -12.182 -19.429 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.649 -10.664 -18.729 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.476 -9.438 -19.747 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.338 -10.909 -20.153 1.00 0.00 H new ATOM 49 N GLY A 21 14.699 -9.453 -17.686 1.00 0.00 N ATOM 50 CA GLY A 21 15.101 -8.148 -17.089 1.00 0.00 C ATOM 51 C GLY A 21 15.763 -7.279 -18.161 1.00 0.00 C ATOM 52 O GLY A 21 15.919 -7.690 -19.294 1.00 0.00 O ATOM 0 H GLY A 21 15.198 -9.713 -18.537 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.228 -7.639 -16.681 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.791 -8.312 -16.261 1.00 0.00 H new ATOM 56 N PRO A 22 16.149 -6.083 -17.802 1.00 0.00 N ATOM 57 CA PRO A 22 16.807 -5.130 -18.743 1.00 0.00 C ATOM 58 C PRO A 22 18.268 -5.509 -19.017 1.00 0.00 C ATOM 59 O PRO A 22 18.560 -6.303 -19.888 1.00 0.00 O ATOM 60 CB PRO A 22 16.716 -3.788 -18.005 1.00 0.00 C ATOM 61 CG PRO A 22 16.725 -4.155 -16.555 1.00 0.00 C ATOM 62 CD PRO A 22 16.000 -5.503 -16.454 1.00 0.00 C ATOM 0 HA PRO A 22 16.332 -5.118 -19.724 1.00 0.00 H new ATOM 0 HB2 PRO A 22 17.556 -3.140 -18.255 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.807 -3.249 -18.272 1.00 0.00 H new ATOM 0 HG2 PRO A 22 17.745 -4.232 -16.179 1.00 0.00 H new ATOM 0 HG3 PRO A 22 16.221 -3.395 -15.957 1.00 0.00 H new ATOM 0 HD2 PRO A 22 16.447 -6.142 -15.692 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.951 -5.374 -16.187 1.00 0.00 H new ATOM 70 N GLY A 23 19.186 -4.946 -18.279 1.00 0.00 N ATOM 71 CA GLY A 23 20.623 -5.275 -18.497 1.00 0.00 C ATOM 72 C GLY A 23 21.495 -4.317 -17.682 1.00 0.00 C ATOM 73 O GLY A 23 20.999 -3.441 -17.001 1.00 0.00 O ATOM 0 H GLY A 23 19.003 -4.273 -17.535 1.00 0.00 H new ATOM 0 HA2 GLY A 23 20.820 -6.305 -18.200 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.869 -5.196 -19.556 1.00 0.00 H new ATOM 77 N PRO A 24 22.789 -4.485 -17.752 1.00 0.00 N ATOM 78 CA PRO A 24 23.758 -3.625 -17.011 1.00 0.00 C ATOM 79 C PRO A 24 23.913 -2.244 -17.660 1.00 0.00 C ATOM 80 O PRO A 24 24.060 -2.124 -18.860 1.00 0.00 O ATOM 81 CB PRO A 24 25.066 -4.421 -17.090 1.00 0.00 C ATOM 82 CG PRO A 24 24.964 -5.188 -18.371 1.00 0.00 C ATOM 83 CD PRO A 24 23.476 -5.518 -18.550 1.00 0.00 C ATOM 0 HA PRO A 24 23.437 -3.420 -15.990 1.00 0.00 H new ATOM 0 HB2 PRO A 24 25.933 -3.760 -17.092 1.00 0.00 H new ATOM 0 HB3 PRO A 24 25.176 -5.089 -16.236 1.00 0.00 H new ATOM 0 HG2 PRO A 24 25.336 -4.599 -19.209 1.00 0.00 H new ATOM 0 HG3 PRO A 24 25.563 -6.098 -18.330 1.00 0.00 H new ATOM 0 HD2 PRO A 24 23.180 -5.476 -19.598 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.243 -6.521 -18.192 1.00 0.00 H new ATOM 91 N SER A 25 23.883 -1.202 -16.874 1.00 0.00 N ATOM 92 CA SER A 25 24.029 0.166 -17.445 1.00 0.00 C ATOM 93 C SER A 25 24.424 1.143 -16.336 1.00 0.00 C ATOM 94 O SER A 25 24.140 2.322 -16.403 1.00 0.00 O ATOM 95 CB SER A 25 22.699 0.606 -18.062 1.00 0.00 C ATOM 96 OG SER A 25 22.198 -0.429 -18.894 1.00 0.00 O ATOM 0 H SER A 25 23.764 -1.240 -15.862 1.00 0.00 H new ATOM 0 HA SER A 25 24.802 0.158 -18.214 1.00 0.00 H new ATOM 0 HB2 SER A 25 21.980 0.836 -17.276 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.839 1.518 -18.642 1.00 0.00 H new ATOM 0 HG SER A 25 22.946 -0.944 -19.262 1.00 0.00 H new ATOM 102 N GLY A 26 25.079 0.661 -15.315 1.00 0.00 N ATOM 103 CA GLY A 26 25.492 1.562 -14.202 1.00 0.00 C ATOM 104 C GLY A 26 25.935 0.722 -13.003 1.00 0.00 C ATOM 105 O GLY A 26 25.144 0.034 -12.388 1.00 0.00 O ATOM 0 H GLY A 26 25.346 -0.317 -15.204 1.00 0.00 H new ATOM 0 HA2 GLY A 26 26.307 2.209 -14.527 1.00 0.00 H new ATOM 0 HA3 GLY A 26 24.663 2.211 -13.919 1.00 0.00 H new ATOM 109 N GLY A 27 27.195 0.771 -12.666 1.00 0.00 N ATOM 110 CA GLY A 27 27.687 -0.026 -11.506 1.00 0.00 C ATOM 111 C GLY A 27 26.999 0.456 -10.228 1.00 0.00 C ATOM 112 O GLY A 27 27.499 1.315 -9.528 1.00 0.00 O ATOM 0 H GLY A 27 27.904 1.328 -13.143 1.00 0.00 H new ATOM 0 HA2 GLY A 27 27.482 -1.085 -11.665 1.00 0.00 H new ATOM 0 HA3 GLY A 27 28.768 0.078 -11.412 1.00 0.00 H new ATOM 116 N ALA A 28 25.856 -0.090 -9.916 1.00 0.00 N ATOM 117 CA ALA A 28 25.137 0.337 -8.683 1.00 0.00 C ATOM 118 C ALA A 28 25.824 -0.267 -7.457 1.00 0.00 C ATOM 119 O ALA A 28 26.035 0.396 -6.461 1.00 0.00 O ATOM 120 CB ALA A 28 23.687 -0.146 -8.744 1.00 0.00 C ATOM 0 H ALA A 28 25.389 -0.814 -10.462 1.00 0.00 H new ATOM 0 HA ALA A 28 25.155 1.424 -8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 28 23.161 0.166 -7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 28 23.197 0.284 -9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 28 23.668 -1.233 -8.816 1.00 0.00 H new ATOM 126 N GLN A 29 26.177 -1.522 -7.521 1.00 0.00 N ATOM 127 CA GLN A 29 26.850 -2.167 -6.359 1.00 0.00 C ATOM 128 C GLN A 29 28.279 -1.634 -6.237 1.00 0.00 C ATOM 129 O GLN A 29 28.965 -1.438 -7.221 1.00 0.00 O ATOM 130 CB GLN A 29 26.887 -3.683 -6.568 1.00 0.00 C ATOM 131 CG GLN A 29 25.471 -4.249 -6.449 1.00 0.00 C ATOM 132 CD GLN A 29 25.453 -5.691 -6.958 1.00 0.00 C ATOM 133 OE1 GLN A 29 26.482 -6.333 -7.034 1.00 0.00 O ATOM 134 NE2 GLN A 29 24.320 -6.231 -7.314 1.00 0.00 N ATOM 0 H GLN A 29 26.028 -2.128 -8.328 1.00 0.00 H new ATOM 0 HA GLN A 29 26.298 -1.939 -5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 29 27.302 -3.916 -7.549 1.00 0.00 H new ATOM 0 HB3 GLN A 29 27.539 -4.147 -5.828 1.00 0.00 H new ATOM 0 HG2 GLN A 29 25.140 -4.215 -5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 29 24.775 -3.640 -7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 29 23.456 -5.692 -7.250 1.00 0.00 H new ATOM 0 HE22 GLN A 29 24.298 -7.192 -7.656 1.00 0.00 H new ATOM 143 N GLY A 30 28.733 -1.397 -5.037 1.00 0.00 N ATOM 144 CA GLY A 30 30.117 -0.877 -4.854 1.00 0.00 C ATOM 145 C GLY A 30 30.220 0.524 -5.459 1.00 0.00 C ATOM 146 O GLY A 30 31.299 1.030 -5.699 1.00 0.00 O ATOM 0 H GLY A 30 28.206 -1.541 -4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 30 30.368 -0.846 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 30 30.834 -1.545 -5.332 1.00 0.00 H new ATOM 150 N GLY A 31 29.106 1.156 -5.709 1.00 0.00 N ATOM 151 CA GLY A 31 29.141 2.523 -6.299 1.00 0.00 C ATOM 152 C GLY A 31 29.683 3.511 -5.265 1.00 0.00 C ATOM 153 O GLY A 31 29.334 3.462 -4.102 1.00 0.00 O ATOM 0 H GLY A 31 28.173 0.784 -5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 31 29.770 2.530 -7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 31 28.141 2.821 -6.613 1.00 0.00 H new ATOM 157 N SER A 32 30.535 4.410 -5.678 1.00 0.00 N ATOM 158 CA SER A 32 31.099 5.399 -4.717 1.00 0.00 C ATOM 159 C SER A 32 30.004 6.382 -4.296 1.00 0.00 C ATOM 160 O SER A 32 28.877 6.300 -4.744 1.00 0.00 O ATOM 161 CB SER A 32 32.241 6.166 -5.386 1.00 0.00 C ATOM 162 OG SER A 32 31.813 6.645 -6.652 1.00 0.00 O ATOM 0 H SER A 32 30.864 4.502 -6.639 1.00 0.00 H new ATOM 0 HA SER A 32 31.477 4.877 -3.838 1.00 0.00 H new ATOM 0 HB2 SER A 32 32.551 7.000 -4.756 1.00 0.00 H new ATOM 0 HB3 SER A 32 33.108 5.517 -5.505 1.00 0.00 H new ATOM 0 HG SER A 32 32.544 7.138 -7.080 1.00 0.00 H new ATOM 168 N ILE A 33 30.325 7.310 -3.436 1.00 0.00 N ATOM 169 CA ILE A 33 29.302 8.296 -2.988 1.00 0.00 C ATOM 170 C ILE A 33 29.130 9.375 -4.058 1.00 0.00 C ATOM 171 O ILE A 33 29.263 10.553 -3.792 1.00 0.00 O ATOM 172 CB ILE A 33 29.757 8.943 -1.679 1.00 0.00 C ATOM 173 CG1 ILE A 33 31.226 9.356 -1.800 1.00 0.00 C ATOM 174 CG2 ILE A 33 29.604 7.942 -0.533 1.00 0.00 C ATOM 175 CD1 ILE A 33 31.599 10.264 -0.626 1.00 0.00 C ATOM 0 H ILE A 33 31.251 7.428 -3.025 1.00 0.00 H new ATOM 0 HA ILE A 33 28.351 7.787 -2.830 1.00 0.00 H new ATOM 0 HB ILE A 33 29.145 9.822 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.864 8.472 -1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 33 31.392 9.876 -2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 33 29.929 8.404 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 33 28.559 7.645 -0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 33 30.216 7.062 -0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 33 32.645 10.558 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 33 30.969 11.154 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 33 31.449 9.728 0.311 1.00 0.00 H new ATOM 187 N HIS A 34 28.835 8.984 -5.267 1.00 0.00 N ATOM 188 CA HIS A 34 28.655 9.989 -6.353 1.00 0.00 C ATOM 189 C HIS A 34 28.066 9.305 -7.588 1.00 0.00 C ATOM 190 O HIS A 34 27.707 9.949 -8.554 1.00 0.00 O ATOM 191 CB HIS A 34 30.010 10.604 -6.708 1.00 0.00 C ATOM 192 CG HIS A 34 29.817 11.681 -7.740 1.00 0.00 C ATOM 193 ND1 HIS A 34 29.226 12.898 -7.437 1.00 0.00 N ATOM 194 CD2 HIS A 34 30.131 11.739 -9.075 1.00 0.00 C ATOM 195 CE1 HIS A 34 29.203 13.630 -8.566 1.00 0.00 C ATOM 196 NE2 HIS A 34 29.743 12.970 -9.594 1.00 0.00 N ATOM 0 H HIS A 34 28.711 8.012 -5.550 1.00 0.00 H new ATOM 0 HA HIS A 34 27.978 10.773 -6.014 1.00 0.00 H new ATOM 0 HB2 HIS A 34 30.477 11.020 -5.816 1.00 0.00 H new ATOM 0 HB3 HIS A 34 30.681 9.835 -7.090 1.00 0.00 H new ATOM 0 HD2 HIS A 34 30.607 10.949 -9.637 1.00 0.00 H new ATOM 0 HE1 HIS A 34 28.798 14.629 -8.633 1.00 0.00 H new ATOM 0 HE2 HIS A 34 29.848 13.298 -10.554 1.00 0.00 H new ATOM 204 N SER A 35 27.964 8.004 -7.566 1.00 0.00 N ATOM 205 CA SER A 35 27.398 7.281 -8.740 1.00 0.00 C ATOM 206 C SER A 35 25.893 7.542 -8.822 1.00 0.00 C ATOM 207 O SER A 35 25.454 8.526 -9.383 1.00 0.00 O ATOM 208 CB SER A 35 27.648 5.780 -8.583 1.00 0.00 C ATOM 209 OG SER A 35 26.933 5.073 -9.586 1.00 0.00 O ATOM 0 H SER A 35 28.248 7.411 -6.786 1.00 0.00 H new ATOM 0 HA SER A 35 27.878 7.636 -9.652 1.00 0.00 H new ATOM 0 HB2 SER A 35 28.714 5.568 -8.664 1.00 0.00 H new ATOM 0 HB3 SER A 35 27.331 5.449 -7.594 1.00 0.00 H new ATOM 0 HG SER A 35 27.094 4.112 -9.487 1.00 0.00 H new ATOM 215 N GLY A 36 25.099 6.668 -8.268 1.00 0.00 N ATOM 216 CA GLY A 36 23.623 6.867 -8.315 1.00 0.00 C ATOM 217 C GLY A 36 22.957 6.000 -7.244 1.00 0.00 C ATOM 218 O GLY A 36 23.238 4.825 -7.120 1.00 0.00 O ATOM 0 H GLY A 36 25.408 5.825 -7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 36 23.381 7.917 -8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 36 23.241 6.603 -9.301 1.00 0.00 H new ATOM 222 N ARG A 37 22.077 6.571 -6.468 1.00 0.00 N ATOM 223 CA ARG A 37 21.395 5.778 -5.406 1.00 0.00 C ATOM 224 C ARG A 37 20.249 6.602 -4.814 1.00 0.00 C ATOM 225 O ARG A 37 20.287 7.817 -4.805 1.00 0.00 O ATOM 226 CB ARG A 37 22.405 5.431 -4.307 1.00 0.00 C ATOM 227 CG ARG A 37 21.761 4.497 -3.271 1.00 0.00 C ATOM 228 CD ARG A 37 21.390 3.148 -3.915 1.00 0.00 C ATOM 229 NE ARG A 37 19.993 3.213 -4.432 1.00 0.00 N ATOM 230 CZ ARG A 37 18.985 3.048 -3.618 1.00 0.00 C ATOM 231 NH1 ARG A 37 19.200 2.818 -2.352 1.00 0.00 N ATOM 232 NH2 ARG A 37 17.763 3.115 -4.072 1.00 0.00 N ATOM 0 H ARG A 37 21.801 7.551 -6.523 1.00 0.00 H new ATOM 0 HA ARG A 37 20.994 4.858 -5.833 1.00 0.00 H new ATOM 0 HB2 ARG A 37 23.280 4.952 -4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 37 22.751 6.343 -3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 37 22.450 4.333 -2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 37 20.869 4.966 -2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 37 22.080 2.918 -4.727 1.00 0.00 H new ATOM 0 HD3 ARG A 37 21.481 2.346 -3.183 1.00 0.00 H new ATOM 0 HE ARG A 37 19.824 3.387 -5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.155 2.767 -1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 37 18.413 2.689 -1.716 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.596 3.296 -5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.975 2.986 -3.437 1.00 0.00 H new ATOM 246 N ILE A 38 19.228 5.950 -4.320 1.00 0.00 N ATOM 247 CA ILE A 38 18.067 6.686 -3.724 1.00 0.00 C ATOM 248 C ILE A 38 17.608 5.952 -2.464 1.00 0.00 C ATOM 249 O ILE A 38 16.880 4.981 -2.528 1.00 0.00 O ATOM 250 CB ILE A 38 16.926 6.742 -4.751 1.00 0.00 C ATOM 251 CG1 ILE A 38 17.446 7.437 -6.014 1.00 0.00 C ATOM 252 CG2 ILE A 38 15.728 7.528 -4.188 1.00 0.00 C ATOM 253 CD1 ILE A 38 16.293 7.692 -6.990 1.00 0.00 C ATOM 0 H ILE A 38 19.146 4.933 -4.303 1.00 0.00 H new ATOM 0 HA ILE A 38 18.359 7.703 -3.461 1.00 0.00 H new ATOM 0 HB ILE A 38 16.594 5.729 -4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 38 17.923 8.381 -5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 38 18.206 6.819 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.930 7.556 -4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 38 15.365 7.040 -3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.039 8.545 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 38 16.675 8.186 -7.883 1.00 0.00 H new ATOM 0 HD12 ILE A 38 15.835 6.743 -7.268 1.00 0.00 H new ATOM 0 HD13 ILE A 38 15.547 8.329 -6.514 1.00 0.00 H new ATOM 265 N ALA A 39 18.033 6.419 -1.317 1.00 0.00 N ATOM 266 CA ALA A 39 17.638 5.770 -0.026 1.00 0.00 C ATOM 267 C ALA A 39 16.690 6.698 0.737 1.00 0.00 C ATOM 268 O ALA A 39 17.047 7.799 1.107 1.00 0.00 O ATOM 269 CB ALA A 39 18.891 5.522 0.815 1.00 0.00 C ATOM 0 H ALA A 39 18.643 7.230 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 39 17.138 4.823 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 39 18.610 5.050 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 39 19.572 4.868 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 39 19.386 6.471 1.019 1.00 0.00 H new ATOM 275 N ALA A 40 15.479 6.265 0.967 1.00 0.00 N ATOM 276 CA ALA A 40 14.498 7.122 1.697 1.00 0.00 C ATOM 277 C ALA A 40 13.488 6.237 2.443 1.00 0.00 C ATOM 278 O ALA A 40 13.612 5.025 2.485 1.00 0.00 O ATOM 279 CB ALA A 40 13.773 8.023 0.686 1.00 0.00 C ATOM 0 H ALA A 40 15.125 5.352 0.680 1.00 0.00 H new ATOM 0 HA ALA A 40 15.019 7.743 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.054 8.653 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.500 8.652 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.250 7.404 -0.043 1.00 0.00 H new ATOM 285 N VAL A 41 12.495 6.844 3.038 1.00 0.00 N ATOM 286 CA VAL A 41 11.466 6.062 3.786 1.00 0.00 C ATOM 287 C VAL A 41 10.533 5.387 2.779 1.00 0.00 C ATOM 288 O VAL A 41 10.233 5.934 1.737 1.00 0.00 O ATOM 289 CB VAL A 41 10.651 7.007 4.679 1.00 0.00 C ATOM 290 CG1 VAL A 41 9.626 6.204 5.487 1.00 0.00 C ATOM 291 CG2 VAL A 41 11.586 7.756 5.640 1.00 0.00 C ATOM 0 H VAL A 41 12.352 7.854 3.038 1.00 0.00 H new ATOM 0 HA VAL A 41 11.953 5.310 4.407 1.00 0.00 H new ATOM 0 HB VAL A 41 10.131 7.728 4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.050 6.880 6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.953 5.683 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.144 5.477 6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.000 8.425 6.270 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.115 7.038 6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.307 8.338 5.066 1.00 0.00 H new ATOM 301 N HIS A 42 10.080 4.198 3.071 1.00 0.00 N ATOM 302 CA HIS A 42 9.178 3.485 2.115 1.00 0.00 C ATOM 303 C HIS A 42 8.208 2.582 2.885 1.00 0.00 C ATOM 304 O HIS A 42 8.562 1.969 3.872 1.00 0.00 O ATOM 305 CB HIS A 42 10.035 2.611 1.187 1.00 0.00 C ATOM 306 CG HIS A 42 10.543 3.415 0.019 1.00 0.00 C ATOM 307 ND1 HIS A 42 11.487 4.406 -0.075 1.00 0.00 N flip ATOM 308 CD2 HIS A 42 10.073 3.216 -1.269 1.00 0.00 C flip ATOM 309 CE1 HIS A 42 11.604 4.817 -1.399 1.00 0.00 C flip ATOM 310 NE2 HIS A 42 10.731 4.067 -2.075 1.00 0.00 N flip ATOM 0 H HIS A 42 10.294 3.688 3.928 1.00 0.00 H new ATOM 0 HA HIS A 42 8.611 4.216 1.538 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.876 2.197 1.743 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.446 1.768 0.826 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.316 2.507 -1.570 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.260 5.579 -1.794 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.581 4.132 -3.082 1.00 0.00 H new ATOM 318 N ASN A 43 6.995 2.471 2.414 1.00 0.00 N ATOM 319 CA ASN A 43 6.009 1.582 3.084 1.00 0.00 C ATOM 320 C ASN A 43 6.222 0.159 2.565 1.00 0.00 C ATOM 321 O ASN A 43 5.723 -0.210 1.521 1.00 0.00 O ATOM 322 CB ASN A 43 4.595 2.047 2.741 1.00 0.00 C ATOM 323 CG ASN A 43 4.326 3.391 3.417 1.00 0.00 C ATOM 324 OD1 ASN A 43 5.107 3.840 4.232 1.00 0.00 O ATOM 325 ND2 ASN A 43 3.248 4.056 3.112 1.00 0.00 N ATOM 0 H ASN A 43 6.645 2.961 1.590 1.00 0.00 H new ATOM 0 HA ASN A 43 6.141 1.612 4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.483 2.142 1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.866 1.308 3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.060 4.954 3.558 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.593 3.679 2.428 1.00 0.00 H new ATOM 332 N VAL A 44 6.977 -0.638 3.273 1.00 0.00 N ATOM 333 CA VAL A 44 7.243 -2.035 2.806 1.00 0.00 C ATOM 334 C VAL A 44 6.146 -2.977 3.361 1.00 0.00 C ATOM 335 O VAL A 44 5.930 -3.017 4.556 1.00 0.00 O ATOM 336 CB VAL A 44 8.641 -2.471 3.295 1.00 0.00 C ATOM 337 CG1 VAL A 44 8.608 -2.859 4.774 1.00 0.00 C ATOM 338 CG2 VAL A 44 9.127 -3.671 2.478 1.00 0.00 C ATOM 0 H VAL A 44 7.422 -0.384 4.155 1.00 0.00 H new ATOM 0 HA VAL A 44 7.221 -2.082 1.717 1.00 0.00 H new ATOM 0 HB VAL A 44 9.321 -1.629 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.605 -3.162 5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.281 -2.005 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.914 -3.687 4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.114 -3.974 2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.429 -4.500 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.184 -3.395 1.425 1.00 0.00 H new ATOM 348 N PRO A 45 5.442 -3.726 2.521 1.00 0.00 N ATOM 349 CA PRO A 45 4.360 -4.648 2.996 1.00 0.00 C ATOM 350 C PRO A 45 4.770 -5.521 4.185 1.00 0.00 C ATOM 351 O PRO A 45 5.865 -6.040 4.247 1.00 0.00 O ATOM 352 CB PRO A 45 4.072 -5.532 1.776 1.00 0.00 C ATOM 353 CG PRO A 45 4.408 -4.679 0.600 1.00 0.00 C ATOM 354 CD PRO A 45 5.572 -3.783 1.041 1.00 0.00 C ATOM 0 HA PRO A 45 3.502 -4.080 3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.677 -6.439 1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.028 -5.845 1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.690 -5.291 -0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.550 -4.080 0.295 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.533 -4.201 0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.503 -2.791 0.596 1.00 0.00 H new ATOM 362 N LEU A 46 3.879 -5.700 5.120 1.00 0.00 N ATOM 363 CA LEU A 46 4.197 -6.560 6.289 1.00 0.00 C ATOM 364 C LEU A 46 4.344 -8.006 5.815 1.00 0.00 C ATOM 365 O LEU A 46 5.043 -8.803 6.409 1.00 0.00 O ATOM 366 CB LEU A 46 3.042 -6.513 7.291 1.00 0.00 C ATOM 367 CG LEU A 46 2.850 -5.086 7.856 1.00 0.00 C ATOM 368 CD1 LEU A 46 1.379 -4.881 8.208 1.00 0.00 C ATOM 369 CD2 LEU A 46 3.691 -4.878 9.125 1.00 0.00 C ATOM 0 H LEU A 46 2.946 -5.288 5.124 1.00 0.00 H new ATOM 0 HA LEU A 46 5.117 -6.206 6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.123 -6.842 6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.237 -7.207 8.108 1.00 0.00 H new ATOM 0 HG LEU A 46 3.170 -4.371 7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.237 -3.877 8.607 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.770 -5.005 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.078 -5.614 8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.537 -3.867 9.502 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.387 -5.598 9.885 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.746 -5.021 8.890 1.00 0.00 H new ATOM 381 N SER A 47 3.646 -8.354 4.770 1.00 0.00 N ATOM 382 CA SER A 47 3.685 -9.760 4.265 1.00 0.00 C ATOM 383 C SER A 47 5.056 -10.131 3.674 1.00 0.00 C ATOM 384 O SER A 47 5.339 -11.300 3.497 1.00 0.00 O ATOM 385 CB SER A 47 2.608 -9.936 3.188 1.00 0.00 C ATOM 386 OG SER A 47 2.989 -10.981 2.304 1.00 0.00 O ATOM 0 H SER A 47 3.046 -7.723 4.239 1.00 0.00 H new ATOM 0 HA SER A 47 3.501 -10.421 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.649 -10.169 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.477 -9.006 2.634 1.00 0.00 H new ATOM 0 HG SER A 47 2.300 -11.095 1.616 1.00 0.00 H new ATOM 392 N VAL A 48 5.906 -9.176 3.350 1.00 0.00 N ATOM 393 CA VAL A 48 7.242 -9.527 2.754 1.00 0.00 C ATOM 394 C VAL A 48 8.383 -9.186 3.724 1.00 0.00 C ATOM 395 O VAL A 48 9.510 -8.986 3.315 1.00 0.00 O ATOM 396 CB VAL A 48 7.432 -8.764 1.434 1.00 0.00 C ATOM 397 CG1 VAL A 48 6.183 -8.925 0.564 1.00 0.00 C ATOM 398 CG2 VAL A 48 7.678 -7.276 1.697 1.00 0.00 C ATOM 0 H VAL A 48 5.734 -8.178 3.471 1.00 0.00 H new ATOM 0 HA VAL A 48 7.266 -10.600 2.564 1.00 0.00 H new ATOM 0 HB VAL A 48 8.300 -9.176 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.319 -8.383 -0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.021 -9.982 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.318 -8.525 1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.810 -6.756 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.824 -6.854 2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.576 -7.157 2.304 1.00 0.00 H new ATOM 408 N LEU A 49 8.118 -9.143 5.006 1.00 0.00 N ATOM 409 CA LEU A 49 9.205 -8.844 5.982 1.00 0.00 C ATOM 410 C LEU A 49 9.872 -10.157 6.385 1.00 0.00 C ATOM 411 O LEU A 49 9.213 -11.156 6.598 1.00 0.00 O ATOM 412 CB LEU A 49 8.622 -8.186 7.239 1.00 0.00 C ATOM 413 CG LEU A 49 8.131 -6.761 6.942 1.00 0.00 C ATOM 414 CD1 LEU A 49 7.515 -6.186 8.223 1.00 0.00 C ATOM 415 CD2 LEU A 49 9.300 -5.866 6.485 1.00 0.00 C ATOM 0 H LEU A 49 7.198 -9.302 5.416 1.00 0.00 H new ATOM 0 HA LEU A 49 9.925 -8.167 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.795 -8.787 7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.379 -8.157 8.022 1.00 0.00 H new ATOM 0 HG LEU A 49 7.392 -6.792 6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.160 -5.173 8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.679 -6.811 8.537 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.268 -6.165 9.011 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.930 -4.861 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.053 -5.822 7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.744 -6.281 5.580 1.00 0.00 H new ATOM 427 N ILE A 50 11.174 -10.163 6.487 1.00 0.00 N ATOM 428 CA ILE A 50 11.908 -11.410 6.874 1.00 0.00 C ATOM 429 C ILE A 50 12.457 -11.270 8.294 1.00 0.00 C ATOM 430 O ILE A 50 13.308 -10.445 8.566 1.00 0.00 O ATOM 431 CB ILE A 50 13.063 -11.631 5.903 1.00 0.00 C ATOM 432 CG1 ILE A 50 12.500 -11.763 4.489 1.00 0.00 C ATOM 433 CG2 ILE A 50 13.812 -12.911 6.278 1.00 0.00 C ATOM 434 CD1 ILE A 50 13.643 -11.773 3.474 1.00 0.00 C ATOM 0 H ILE A 50 11.769 -9.352 6.318 1.00 0.00 H new ATOM 0 HA ILE A 50 11.225 -12.259 6.837 1.00 0.00 H new ATOM 0 HB ILE A 50 13.752 -10.788 5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.918 -12.681 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 50 11.822 -10.935 4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 50 14.637 -13.067 5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.204 -12.820 7.291 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.130 -13.760 6.228 1.00 0.00 H new ATOM 0 HD11 ILE A 50 13.235 -11.867 2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 50 14.207 -10.843 3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.304 -12.616 3.678 1.00 0.00 H new ATOM 446 N ARG A 51 11.973 -12.083 9.198 1.00 0.00 N ATOM 447 CA ARG A 51 12.449 -12.032 10.614 1.00 0.00 C ATOM 448 C ARG A 51 12.765 -13.456 11.098 1.00 0.00 C ATOM 449 O ARG A 51 11.885 -14.162 11.549 1.00 0.00 O ATOM 450 CB ARG A 51 11.329 -11.462 11.487 1.00 0.00 C ATOM 451 CG ARG A 51 10.950 -10.067 10.988 1.00 0.00 C ATOM 452 CD ARG A 51 10.077 -9.370 12.037 1.00 0.00 C ATOM 453 NE ARG A 51 9.838 -7.952 11.631 1.00 0.00 N ATOM 454 CZ ARG A 51 10.662 -7.007 12.000 1.00 0.00 C ATOM 455 NH1 ARG A 51 11.722 -7.294 12.707 1.00 0.00 N ATOM 456 NH2 ARG A 51 10.430 -5.770 11.652 1.00 0.00 N ATOM 0 H ARG A 51 11.260 -12.788 9.013 1.00 0.00 H new ATOM 0 HA ARG A 51 13.342 -11.410 10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.460 -12.119 11.456 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.654 -11.412 12.526 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.849 -9.480 10.799 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.413 -10.141 10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.127 -9.894 12.140 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.566 -9.402 13.011 1.00 0.00 H new ATOM 0 HE ARG A 51 9.025 -7.720 11.061 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.911 -8.260 12.974 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.361 -6.552 12.992 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.607 -5.543 11.093 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.072 -5.031 11.939 1.00 0.00 H new ATOM 470 N PRO A 52 14.006 -13.877 11.030 1.00 0.00 N ATOM 471 CA PRO A 52 14.428 -15.223 11.491 1.00 0.00 C ATOM 472 C PRO A 52 15.002 -15.188 12.912 1.00 0.00 C ATOM 473 O PRO A 52 15.859 -15.975 13.261 1.00 0.00 O ATOM 474 CB PRO A 52 15.525 -15.558 10.490 1.00 0.00 C ATOM 475 CG PRO A 52 16.221 -14.245 10.261 1.00 0.00 C ATOM 476 CD PRO A 52 15.164 -13.140 10.489 1.00 0.00 C ATOM 0 HA PRO A 52 13.609 -15.941 11.533 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.209 -16.309 10.884 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.112 -15.958 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.060 -14.126 10.947 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.625 -14.192 9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.520 -12.383 11.188 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.914 -12.626 9.561 1.00 0.00 H new ATOM 484 N LEU A 53 14.555 -14.263 13.724 1.00 0.00 N ATOM 485 CA LEU A 53 15.095 -14.154 15.115 1.00 0.00 C ATOM 486 C LEU A 53 13.952 -13.810 16.090 1.00 0.00 C ATOM 487 O LEU A 53 13.698 -12.655 16.369 1.00 0.00 O ATOM 488 CB LEU A 53 16.157 -13.035 15.119 1.00 0.00 C ATOM 489 CG LEU A 53 17.204 -13.272 16.216 1.00 0.00 C ATOM 490 CD1 LEU A 53 18.369 -12.303 16.003 1.00 0.00 C ATOM 491 CD2 LEU A 53 16.580 -13.030 17.593 1.00 0.00 C ATOM 0 H LEU A 53 13.839 -13.578 13.484 1.00 0.00 H new ATOM 0 HA LEU A 53 15.541 -15.097 15.432 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.648 -12.991 14.147 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.673 -12.071 15.275 1.00 0.00 H new ATOM 0 HG LEU A 53 17.561 -14.301 16.167 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.120 -12.462 16.777 1.00 0.00 H new ATOM 0 HD12 LEU A 53 18.814 -12.479 15.024 1.00 0.00 H new ATOM 0 HD13 LEU A 53 18.004 -11.277 16.057 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.329 -13.200 18.367 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.222 -12.002 17.655 1.00 0.00 H new ATOM 0 HD23 LEU A 53 15.745 -13.715 17.739 1.00 0.00 H new ATOM 503 N PRO A 54 13.269 -14.803 16.611 1.00 0.00 N ATOM 504 CA PRO A 54 12.145 -14.587 17.573 1.00 0.00 C ATOM 505 C PRO A 54 12.531 -13.630 18.709 1.00 0.00 C ATOM 506 O PRO A 54 13.683 -13.284 18.876 1.00 0.00 O ATOM 507 CB PRO A 54 11.857 -15.994 18.113 1.00 0.00 C ATOM 508 CG PRO A 54 12.281 -16.913 17.012 1.00 0.00 C ATOM 509 CD PRO A 54 13.483 -16.239 16.344 1.00 0.00 C ATOM 0 HA PRO A 54 11.281 -14.123 17.098 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.414 -16.189 19.029 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.800 -16.119 18.350 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.551 -17.894 17.404 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.472 -17.066 16.298 1.00 0.00 H new ATOM 0 HD2 PRO A 54 14.425 -16.589 16.766 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.516 -16.447 15.275 1.00 0.00 H new ATOM 517 N SER A 55 11.575 -13.198 19.489 1.00 0.00 N ATOM 518 CA SER A 55 11.893 -12.262 20.607 1.00 0.00 C ATOM 519 C SER A 55 10.791 -12.324 21.667 1.00 0.00 C ATOM 520 O SER A 55 9.713 -12.831 21.432 1.00 0.00 O ATOM 521 CB SER A 55 11.987 -10.834 20.060 1.00 0.00 C ATOM 522 OG SER A 55 13.240 -10.654 19.418 1.00 0.00 O ATOM 0 H SER A 55 10.591 -13.452 19.401 1.00 0.00 H new ATOM 0 HA SER A 55 12.843 -12.550 21.058 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.176 -10.649 19.356 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.875 -10.114 20.871 1.00 0.00 H new ATOM 0 HG SER A 55 13.642 -11.529 19.233 1.00 0.00 H new ATOM 528 N VAL A 56 11.058 -11.795 22.833 1.00 0.00 N ATOM 529 CA VAL A 56 10.036 -11.796 23.921 1.00 0.00 C ATOM 530 C VAL A 56 9.307 -10.452 23.908 1.00 0.00 C ATOM 531 O VAL A 56 9.874 -9.425 24.227 1.00 0.00 O ATOM 532 CB VAL A 56 10.729 -11.987 25.272 1.00 0.00 C ATOM 533 CG1 VAL A 56 9.686 -11.938 26.391 1.00 0.00 C ATOM 534 CG2 VAL A 56 11.438 -13.343 25.294 1.00 0.00 C ATOM 0 H VAL A 56 11.947 -11.359 23.079 1.00 0.00 H new ATOM 0 HA VAL A 56 9.326 -12.608 23.765 1.00 0.00 H new ATOM 0 HB VAL A 56 11.460 -11.192 25.422 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.179 -12.074 27.354 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.181 -10.972 26.375 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.955 -12.733 26.242 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.932 -13.480 26.256 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.707 -14.138 25.145 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.180 -13.378 24.497 1.00 0.00 H new ATOM 544 N LEU A 57 8.060 -10.445 23.522 1.00 0.00 N ATOM 545 CA LEU A 57 7.296 -9.163 23.465 1.00 0.00 C ATOM 546 C LEU A 57 6.543 -8.920 24.767 1.00 0.00 C ATOM 547 O LEU A 57 6.063 -9.829 25.415 1.00 0.00 O ATOM 548 CB LEU A 57 6.282 -9.212 22.329 1.00 0.00 C ATOM 549 CG LEU A 57 6.999 -9.459 20.995 1.00 0.00 C ATOM 550 CD1 LEU A 57 5.948 -9.648 19.896 1.00 0.00 C ATOM 551 CD2 LEU A 57 7.901 -8.260 20.653 1.00 0.00 C ATOM 0 H LEU A 57 7.535 -11.274 23.243 1.00 0.00 H new ATOM 0 HA LEU A 57 8.011 -8.357 23.303 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.556 -10.004 22.513 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.727 -8.275 22.285 1.00 0.00 H new ATOM 0 HG LEU A 57 7.619 -10.352 21.072 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.446 -9.824 18.943 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.317 -10.503 20.139 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.332 -8.751 19.823 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.406 -8.444 19.705 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.293 -7.359 20.572 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.643 -8.127 21.440 1.00 0.00 H new ATOM 563 N ASP A 58 6.425 -7.677 25.126 1.00 0.00 N ATOM 564 CA ASP A 58 5.690 -7.287 26.361 1.00 0.00 C ATOM 565 C ASP A 58 4.313 -6.741 25.935 1.00 0.00 C ATOM 566 O ASP A 58 4.231 -5.953 25.014 1.00 0.00 O ATOM 567 CB ASP A 58 6.491 -6.191 27.071 1.00 0.00 C ATOM 568 CG ASP A 58 5.645 -5.566 28.184 1.00 0.00 C ATOM 569 OD1 ASP A 58 4.736 -4.819 27.862 1.00 0.00 O ATOM 570 OD2 ASP A 58 5.922 -5.845 29.339 1.00 0.00 O ATOM 0 H ASP A 58 6.816 -6.893 24.603 1.00 0.00 H new ATOM 0 HA ASP A 58 5.561 -8.134 27.035 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.406 -6.610 27.489 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.790 -5.425 26.355 1.00 0.00 H new ATOM 575 N PRO A 59 3.233 -7.152 26.564 1.00 0.00 N ATOM 576 CA PRO A 59 1.867 -6.679 26.182 1.00 0.00 C ATOM 577 C PRO A 59 1.587 -5.242 26.644 1.00 0.00 C ATOM 578 O PRO A 59 0.707 -4.582 26.132 1.00 0.00 O ATOM 579 CB PRO A 59 0.940 -7.677 26.887 1.00 0.00 C ATOM 580 CG PRO A 59 1.698 -8.081 28.109 1.00 0.00 C ATOM 581 CD PRO A 59 3.176 -8.098 27.698 1.00 0.00 C ATOM 0 HA PRO A 59 1.732 -6.646 25.101 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.016 -7.220 27.144 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.722 -8.535 26.252 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.527 -7.379 28.925 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.379 -9.062 28.461 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.823 -7.782 28.516 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.499 -9.097 27.404 1.00 0.00 H new ATOM 589 N ALA A 60 2.326 -4.750 27.600 1.00 0.00 N ATOM 590 CA ALA A 60 2.092 -3.354 28.076 1.00 0.00 C ATOM 591 C ALA A 60 2.872 -2.383 27.187 1.00 0.00 C ATOM 592 O ALA A 60 2.436 -1.282 26.914 1.00 0.00 O ATOM 593 CB ALA A 60 2.576 -3.221 29.521 1.00 0.00 C ATOM 0 H ALA A 60 3.079 -5.251 28.072 1.00 0.00 H new ATOM 0 HA ALA A 60 1.028 -3.123 28.027 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.406 -2.202 29.869 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.027 -3.918 30.154 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.641 -3.448 29.570 1.00 0.00 H new ATOM 599 N LYS A 61 4.029 -2.786 26.744 1.00 0.00 N ATOM 600 CA LYS A 61 4.861 -1.907 25.886 1.00 0.00 C ATOM 601 C LYS A 61 4.256 -1.816 24.474 1.00 0.00 C ATOM 602 O LYS A 61 4.388 -0.813 23.799 1.00 0.00 O ATOM 603 CB LYS A 61 6.290 -2.493 25.840 1.00 0.00 C ATOM 604 CG LYS A 61 7.325 -1.372 25.919 1.00 0.00 C ATOM 605 CD LYS A 61 8.733 -1.967 25.857 1.00 0.00 C ATOM 606 CE LYS A 61 9.760 -0.837 25.764 1.00 0.00 C ATOM 607 NZ LYS A 61 11.129 -1.417 25.665 1.00 0.00 N ATOM 0 H LYS A 61 4.436 -3.699 26.944 1.00 0.00 H new ATOM 0 HA LYS A 61 4.893 -0.897 26.294 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.432 -3.188 26.668 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.428 -3.061 24.920 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.179 -0.671 25.097 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.197 -0.810 26.844 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.923 -2.573 26.743 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.823 -2.627 24.994 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.553 -0.214 24.894 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.689 -0.193 26.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.828 -0.649 25.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.324 -1.994 26.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.193 -2.014 24.816 1.00 0.00 H new ATOM 621 N VAL A 62 3.583 -2.844 24.024 1.00 0.00 N ATOM 622 CA VAL A 62 2.970 -2.794 22.667 1.00 0.00 C ATOM 623 C VAL A 62 1.763 -1.864 22.733 1.00 0.00 C ATOM 624 O VAL A 62 1.450 -1.153 21.801 1.00 0.00 O ATOM 625 CB VAL A 62 2.527 -4.207 22.253 1.00 0.00 C ATOM 626 CG1 VAL A 62 1.602 -4.130 21.034 1.00 0.00 C ATOM 627 CG2 VAL A 62 3.758 -5.048 21.901 1.00 0.00 C ATOM 0 H VAL A 62 3.433 -3.712 24.537 1.00 0.00 H new ATOM 0 HA VAL A 62 3.687 -2.426 21.932 1.00 0.00 H new ATOM 0 HB VAL A 62 1.991 -4.668 23.083 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.293 -5.135 20.748 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.722 -3.537 21.282 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.132 -3.663 20.204 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.443 -6.049 21.608 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.294 -4.580 21.076 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.414 -5.114 22.769 1.00 0.00 H new ATOM 637 N GLN A 63 1.089 -1.878 23.842 1.00 0.00 N ATOM 638 CA GLN A 63 -0.105 -1.015 24.019 1.00 0.00 C ATOM 639 C GLN A 63 0.333 0.452 23.930 1.00 0.00 C ATOM 640 O GLN A 63 -0.338 1.277 23.342 1.00 0.00 O ATOM 641 CB GLN A 63 -0.717 -1.308 25.404 1.00 0.00 C ATOM 642 CG GLN A 63 -1.823 -2.379 25.321 1.00 0.00 C ATOM 643 CD GLN A 63 -1.386 -3.601 24.499 1.00 0.00 C ATOM 644 OE1 GLN A 63 -0.238 -3.747 24.146 1.00 0.00 O ATOM 645 NE2 GLN A 63 -2.278 -4.508 24.190 1.00 0.00 N ATOM 0 H GLN A 63 1.318 -2.461 24.647 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.848 -1.213 23.247 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.065 -1.644 26.084 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.130 -0.390 25.822 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.094 -2.698 26.327 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.716 -1.943 24.874 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.248 -4.391 24.485 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.003 -5.332 23.655 1.00 0.00 H new ATOM 654 N SER A 64 1.458 0.779 24.506 1.00 0.00 N ATOM 655 CA SER A 64 1.941 2.187 24.452 1.00 0.00 C ATOM 656 C SER A 64 2.203 2.578 22.996 1.00 0.00 C ATOM 657 O SER A 64 1.890 3.672 22.571 1.00 0.00 O ATOM 658 CB SER A 64 3.237 2.314 25.255 1.00 0.00 C ATOM 659 OG SER A 64 3.886 3.531 24.918 1.00 0.00 O ATOM 0 H SER A 64 2.063 0.132 25.011 1.00 0.00 H new ATOM 0 HA SER A 64 1.185 2.848 24.877 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.020 2.289 26.323 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.893 1.469 25.043 1.00 0.00 H new ATOM 0 HG SER A 64 4.841 3.363 24.773 1.00 0.00 H new ATOM 665 N LEU A 65 2.772 1.690 22.226 1.00 0.00 N ATOM 666 CA LEU A 65 3.051 2.006 20.801 1.00 0.00 C ATOM 667 C LEU A 65 1.728 2.007 20.025 1.00 0.00 C ATOM 668 O LEU A 65 1.453 2.896 19.244 1.00 0.00 O ATOM 669 CB LEU A 65 4.011 0.937 20.241 1.00 0.00 C ATOM 670 CG LEU A 65 5.473 1.421 20.353 1.00 0.00 C ATOM 671 CD1 LEU A 65 6.419 0.215 20.340 1.00 0.00 C ATOM 672 CD2 LEU A 65 5.815 2.349 19.179 1.00 0.00 C ATOM 0 H LEU A 65 3.055 0.757 22.526 1.00 0.00 H new ATOM 0 HA LEU A 65 3.515 2.988 20.704 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.887 0.003 20.789 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.768 0.730 19.199 1.00 0.00 H new ATOM 0 HG LEU A 65 5.591 1.969 21.288 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.450 0.560 20.419 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.189 -0.437 21.183 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.292 -0.337 19.409 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.848 2.684 19.269 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.689 1.810 18.240 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.151 3.213 19.193 1.00 0.00 H new ATOM 684 N VAL A 66 0.905 1.022 20.247 1.00 0.00 N ATOM 685 CA VAL A 66 -0.402 0.962 19.543 1.00 0.00 C ATOM 686 C VAL A 66 -1.165 2.263 19.812 1.00 0.00 C ATOM 687 O VAL A 66 -1.950 2.715 19.002 1.00 0.00 O ATOM 688 CB VAL A 66 -1.186 -0.237 20.091 1.00 0.00 C ATOM 689 CG1 VAL A 66 -2.650 -0.161 19.662 1.00 0.00 C ATOM 690 CG2 VAL A 66 -0.565 -1.530 19.559 1.00 0.00 C ATOM 0 H VAL A 66 1.084 0.251 20.891 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.264 0.847 18.468 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.140 -0.222 21.180 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.191 -1.020 20.060 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.094 0.757 20.046 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.711 -0.166 18.574 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.119 -2.386 19.946 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.607 -1.533 18.470 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.474 -1.594 19.882 1.00 0.00 H new ATOM 700 N ASP A 67 -0.937 2.863 20.947 1.00 0.00 N ATOM 701 CA ASP A 67 -1.637 4.130 21.285 1.00 0.00 C ATOM 702 C ASP A 67 -1.019 5.297 20.502 1.00 0.00 C ATOM 703 O ASP A 67 -1.710 6.203 20.083 1.00 0.00 O ATOM 704 CB ASP A 67 -1.487 4.387 22.788 1.00 0.00 C ATOM 705 CG ASP A 67 -2.487 3.523 23.563 1.00 0.00 C ATOM 706 OD1 ASP A 67 -3.669 3.617 23.276 1.00 0.00 O ATOM 707 OD2 ASP A 67 -2.052 2.782 24.430 1.00 0.00 O ATOM 0 H ASP A 67 -0.290 2.526 21.660 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.691 4.048 21.021 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.470 4.157 23.106 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.658 5.441 23.005 1.00 0.00 H new ATOM 712 N THR A 68 0.273 5.288 20.308 1.00 0.00 N ATOM 713 CA THR A 68 0.923 6.403 19.564 1.00 0.00 C ATOM 714 C THR A 68 0.438 6.403 18.115 1.00 0.00 C ATOM 715 O THR A 68 0.012 7.412 17.588 1.00 0.00 O ATOM 716 CB THR A 68 2.442 6.214 19.595 1.00 0.00 C ATOM 717 OG1 THR A 68 2.845 5.859 20.910 1.00 0.00 O ATOM 718 CG2 THR A 68 3.128 7.515 19.182 1.00 0.00 C ATOM 0 H THR A 68 0.905 4.556 20.633 1.00 0.00 H new ATOM 0 HA THR A 68 0.663 7.353 20.031 1.00 0.00 H new ATOM 0 HB THR A 68 2.725 5.422 18.901 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.817 5.736 20.932 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.209 7.379 19.204 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.817 7.786 18.173 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.848 8.310 19.874 1.00 0.00 H new ATOM 726 N ILE A 69 0.503 5.276 17.467 1.00 0.00 N ATOM 727 CA ILE A 69 0.053 5.196 16.052 1.00 0.00 C ATOM 728 C ILE A 69 -1.431 5.580 15.965 1.00 0.00 C ATOM 729 O ILE A 69 -1.857 6.236 15.035 1.00 0.00 O ATOM 730 CB ILE A 69 0.261 3.763 15.542 1.00 0.00 C ATOM 731 CG1 ILE A 69 1.734 3.369 15.752 1.00 0.00 C ATOM 732 CG2 ILE A 69 -0.091 3.684 14.047 1.00 0.00 C ATOM 733 CD1 ILE A 69 2.056 2.074 14.997 1.00 0.00 C ATOM 0 H ILE A 69 0.851 4.401 17.859 1.00 0.00 H new ATOM 0 HA ILE A 69 0.631 5.885 15.436 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.386 3.079 16.092 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.384 4.171 15.404 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.933 3.236 16.815 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.059 2.665 13.691 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.133 3.969 13.903 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.552 4.362 13.486 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.101 1.810 15.157 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.419 1.270 15.365 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.877 2.220 13.932 1.00 0.00 H new ATOM 745 N ARG A 70 -2.219 5.167 16.919 1.00 0.00 N ATOM 746 CA ARG A 70 -3.677 5.496 16.885 1.00 0.00 C ATOM 747 C ARG A 70 -3.910 6.957 17.316 1.00 0.00 C ATOM 748 O ARG A 70 -4.857 7.586 16.888 1.00 0.00 O ATOM 749 CB ARG A 70 -4.433 4.536 17.833 1.00 0.00 C ATOM 750 CG ARG A 70 -4.990 3.340 17.050 1.00 0.00 C ATOM 751 CD ARG A 70 -5.788 2.439 17.995 1.00 0.00 C ATOM 752 NE ARG A 70 -6.806 3.254 18.717 1.00 0.00 N ATOM 753 CZ ARG A 70 -7.605 2.686 19.578 1.00 0.00 C ATOM 754 NH1 ARG A 70 -7.514 1.404 19.806 1.00 0.00 N ATOM 755 NH2 ARG A 70 -8.496 3.400 20.210 1.00 0.00 N ATOM 0 H ARG A 70 -1.918 4.615 17.722 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.050 5.377 15.868 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.762 4.185 18.617 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.247 5.067 18.325 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.628 3.689 16.238 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.174 2.777 16.596 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.276 1.644 17.431 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.118 1.959 18.708 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.878 4.256 18.538 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.818 0.846 19.311 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.139 0.960 20.479 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.568 4.402 20.031 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.121 2.956 20.883 1.00 0.00 H new ATOM 769 N GLU A 71 -3.073 7.501 18.163 1.00 0.00 N ATOM 770 CA GLU A 71 -3.281 8.916 18.614 1.00 0.00 C ATOM 771 C GLU A 71 -2.510 9.875 17.700 1.00 0.00 C ATOM 772 O GLU A 71 -2.970 10.958 17.397 1.00 0.00 O ATOM 773 CB GLU A 71 -2.781 9.075 20.058 1.00 0.00 C ATOM 774 CG GLU A 71 -3.822 8.515 21.034 1.00 0.00 C ATOM 775 CD GLU A 71 -4.999 9.487 21.137 1.00 0.00 C ATOM 776 OE1 GLU A 71 -4.959 10.508 20.470 1.00 0.00 O ATOM 777 OE2 GLU A 71 -5.920 9.194 21.881 1.00 0.00 O ATOM 0 H GLU A 71 -2.259 7.032 18.561 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.344 9.152 18.567 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.833 8.552 20.184 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.596 10.127 20.274 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.170 7.541 20.691 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.373 8.366 22.016 1.00 0.00 H new ATOM 784 N ASP A 72 -1.339 9.495 17.267 1.00 0.00 N ATOM 785 CA ASP A 72 -0.541 10.396 16.384 1.00 0.00 C ATOM 786 C ASP A 72 0.439 9.559 15.543 1.00 0.00 C ATOM 787 O ASP A 72 1.495 9.196 16.021 1.00 0.00 O ATOM 788 CB ASP A 72 0.257 11.367 17.257 1.00 0.00 C ATOM 789 CG ASP A 72 0.819 12.493 16.386 1.00 0.00 C ATOM 790 OD1 ASP A 72 1.608 12.195 15.505 1.00 0.00 O ATOM 791 OD2 ASP A 72 0.451 13.633 16.616 1.00 0.00 O ATOM 0 H ASP A 72 -0.900 8.601 17.486 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.211 10.947 15.723 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.382 11.781 18.037 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.069 10.840 17.757 1.00 0.00 H new ATOM 796 N PRO A 73 0.110 9.235 14.307 1.00 0.00 N ATOM 797 CA PRO A 73 1.013 8.414 13.446 1.00 0.00 C ATOM 798 C PRO A 73 2.215 9.211 12.903 1.00 0.00 C ATOM 799 O PRO A 73 3.069 8.670 12.229 1.00 0.00 O ATOM 800 CB PRO A 73 0.096 7.949 12.306 1.00 0.00 C ATOM 801 CG PRO A 73 -0.940 9.021 12.184 1.00 0.00 C ATOM 802 CD PRO A 73 -1.139 9.597 13.593 1.00 0.00 C ATOM 0 HA PRO A 73 1.466 7.594 14.003 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.652 7.829 11.376 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.358 6.984 12.533 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.616 9.797 11.490 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.874 8.615 11.795 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.285 10.677 13.566 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.016 9.169 14.079 1.00 0.00 H new ATOM 810 N ASP A 74 2.286 10.489 13.181 1.00 0.00 N ATOM 811 CA ASP A 74 3.431 11.308 12.668 1.00 0.00 C ATOM 812 C ASP A 74 4.601 11.299 13.668 1.00 0.00 C ATOM 813 O ASP A 74 5.746 11.429 13.285 1.00 0.00 O ATOM 814 CB ASP A 74 2.962 12.751 12.445 1.00 0.00 C ATOM 815 CG ASP A 74 2.084 12.815 11.193 1.00 0.00 C ATOM 816 OD1 ASP A 74 1.649 11.767 10.745 1.00 0.00 O ATOM 817 OD2 ASP A 74 1.862 13.910 10.705 1.00 0.00 O ATOM 0 H ASP A 74 1.603 11.001 13.740 1.00 0.00 H new ATOM 0 HA ASP A 74 3.775 10.877 11.728 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.403 13.101 13.313 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.822 13.411 12.333 1.00 0.00 H new ATOM 822 N SER A 75 4.333 11.153 14.942 1.00 0.00 N ATOM 823 CA SER A 75 5.441 11.145 15.942 1.00 0.00 C ATOM 824 C SER A 75 6.045 9.738 16.029 1.00 0.00 C ATOM 825 O SER A 75 6.636 9.374 17.026 1.00 0.00 O ATOM 826 CB SER A 75 4.885 11.539 17.312 1.00 0.00 C ATOM 827 OG SER A 75 4.059 12.685 17.175 1.00 0.00 O ATOM 0 H SER A 75 3.397 11.039 15.331 1.00 0.00 H new ATOM 0 HA SER A 75 6.211 11.853 15.637 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.313 10.713 17.735 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.703 11.747 18.002 1.00 0.00 H new ATOM 0 HG SER A 75 3.701 12.937 18.052 1.00 0.00 H new ATOM 833 N VAL A 76 5.895 8.942 14.992 1.00 0.00 N ATOM 834 CA VAL A 76 6.450 7.549 15.001 1.00 0.00 C ATOM 835 C VAL A 76 7.449 7.405 13.830 1.00 0.00 C ATOM 836 O VAL A 76 7.039 7.291 12.692 1.00 0.00 O ATOM 837 CB VAL A 76 5.283 6.560 14.812 1.00 0.00 C ATOM 838 CG1 VAL A 76 5.659 5.174 15.358 1.00 0.00 C ATOM 839 CG2 VAL A 76 4.054 7.083 15.561 1.00 0.00 C ATOM 0 H VAL A 76 5.408 9.202 14.134 1.00 0.00 H new ATOM 0 HA VAL A 76 6.961 7.343 15.942 1.00 0.00 H new ATOM 0 HB VAL A 76 5.064 6.471 13.748 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.824 4.488 15.216 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.532 4.797 14.825 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.889 5.252 16.421 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.225 6.387 15.431 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.287 7.176 16.622 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.774 8.059 15.164 1.00 0.00 H new ATOM 849 N PRO A 77 8.745 7.428 14.083 1.00 0.00 N ATOM 850 CA PRO A 77 9.759 7.316 12.992 1.00 0.00 C ATOM 851 C PRO A 77 9.887 5.885 12.446 1.00 0.00 C ATOM 852 O PRO A 77 9.460 4.937 13.071 1.00 0.00 O ATOM 853 CB PRO A 77 11.070 7.783 13.649 1.00 0.00 C ATOM 854 CG PRO A 77 10.890 7.572 15.126 1.00 0.00 C ATOM 855 CD PRO A 77 9.378 7.560 15.410 1.00 0.00 C ATOM 0 HA PRO A 77 9.482 7.914 12.124 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.920 7.212 13.274 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.267 8.832 13.426 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.346 6.632 15.438 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.380 8.366 15.689 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.105 6.731 16.063 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.062 8.476 15.909 1.00 0.00 H new ATOM 863 N PRO A 78 10.474 5.737 11.280 1.00 0.00 N ATOM 864 CA PRO A 78 10.664 4.402 10.633 1.00 0.00 C ATOM 865 C PRO A 78 11.756 3.579 11.318 1.00 0.00 C ATOM 866 O PRO A 78 12.496 4.073 12.146 1.00 0.00 O ATOM 867 CB PRO A 78 11.081 4.750 9.195 1.00 0.00 C ATOM 868 CG PRO A 78 11.733 6.092 9.303 1.00 0.00 C ATOM 869 CD PRO A 78 11.022 6.827 10.445 1.00 0.00 C ATOM 0 HA PRO A 78 9.763 3.792 10.691 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.769 4.007 8.791 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.219 4.781 8.529 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.798 5.991 9.510 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.641 6.645 8.368 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.713 7.454 11.009 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.233 7.479 10.071 1.00 0.00 H new ATOM 877 N ILE A 79 11.869 2.328 10.955 1.00 0.00 N ATOM 878 CA ILE A 79 12.921 1.449 11.549 1.00 0.00 C ATOM 879 C ILE A 79 13.987 1.192 10.490 1.00 0.00 C ATOM 880 O ILE A 79 13.771 1.411 9.314 1.00 0.00 O ATOM 881 CB ILE A 79 12.301 0.114 11.974 1.00 0.00 C ATOM 882 CG1 ILE A 79 11.368 -0.406 10.862 1.00 0.00 C ATOM 883 CG2 ILE A 79 11.505 0.315 13.264 1.00 0.00 C ATOM 884 CD1 ILE A 79 11.212 -1.921 10.988 1.00 0.00 C ATOM 0 H ILE A 79 11.271 1.873 10.265 1.00 0.00 H new ATOM 0 HA ILE A 79 13.360 1.933 12.422 1.00 0.00 H new ATOM 0 HB ILE A 79 13.092 -0.616 12.144 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.394 0.077 10.936 1.00 0.00 H new ATOM 0 HG13 ILE A 79 11.776 -0.153 9.883 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.062 -0.633 13.570 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.170 0.675 14.049 1.00 0.00 H new ATOM 0 HG23 ILE A 79 10.715 1.046 13.094 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.552 -2.286 10.201 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.188 -2.396 10.892 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.784 -2.163 11.961 1.00 0.00 H new ATOM 896 N ASP A 80 15.135 0.723 10.887 1.00 0.00 N ATOM 897 CA ASP A 80 16.205 0.449 9.890 1.00 0.00 C ATOM 898 C ASP A 80 15.982 -0.944 9.299 1.00 0.00 C ATOM 899 O ASP A 80 15.749 -1.900 10.011 1.00 0.00 O ATOM 900 CB ASP A 80 17.575 0.506 10.573 1.00 0.00 C ATOM 901 CG ASP A 80 18.671 0.672 9.517 1.00 0.00 C ATOM 902 OD1 ASP A 80 18.737 1.736 8.923 1.00 0.00 O ATOM 903 OD2 ASP A 80 19.426 -0.266 9.322 1.00 0.00 O ATOM 0 H ASP A 80 15.379 0.518 11.856 1.00 0.00 H new ATOM 0 HA ASP A 80 16.173 1.197 9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.607 1.337 11.278 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.744 -0.405 11.147 1.00 0.00 H new ATOM 908 N VAL A 81 16.045 -1.060 8.001 1.00 0.00 N ATOM 909 CA VAL A 81 15.833 -2.385 7.338 1.00 0.00 C ATOM 910 C VAL A 81 16.890 -2.567 6.244 1.00 0.00 C ATOM 911 O VAL A 81 17.212 -1.650 5.515 1.00 0.00 O ATOM 912 CB VAL A 81 14.408 -2.417 6.749 1.00 0.00 C ATOM 913 CG1 VAL A 81 14.294 -3.472 5.643 1.00 0.00 C ATOM 914 CG2 VAL A 81 13.409 -2.751 7.865 1.00 0.00 C ATOM 0 H VAL A 81 16.236 -0.288 7.362 1.00 0.00 H new ATOM 0 HA VAL A 81 15.934 -3.202 8.053 1.00 0.00 H new ATOM 0 HB VAL A 81 14.189 -1.439 6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.279 -3.474 5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 81 14.997 -3.238 4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.524 -4.455 6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.400 -2.775 7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.651 -3.725 8.290 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.466 -1.991 8.644 1.00 0.00 H new ATOM 924 N LEU A 82 17.445 -3.746 6.143 1.00 0.00 N ATOM 925 CA LEU A 82 18.500 -4.002 5.118 1.00 0.00 C ATOM 926 C LEU A 82 17.857 -4.451 3.803 1.00 0.00 C ATOM 927 O LEU A 82 16.991 -5.303 3.777 1.00 0.00 O ATOM 928 CB LEU A 82 19.439 -5.104 5.624 1.00 0.00 C ATOM 929 CG LEU A 82 19.993 -4.735 7.016 1.00 0.00 C ATOM 930 CD1 LEU A 82 20.456 -6.002 7.739 1.00 0.00 C ATOM 931 CD2 LEU A 82 21.182 -3.780 6.873 1.00 0.00 C ATOM 0 H LEU A 82 17.212 -4.547 6.730 1.00 0.00 H new ATOM 0 HA LEU A 82 19.062 -3.084 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.903 -6.052 5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 82 20.261 -5.242 4.922 1.00 0.00 H new ATOM 0 HG LEU A 82 19.204 -4.249 7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 82 20.847 -5.738 8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 82 19.613 -6.683 7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 82 21.238 -6.488 7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 82 21.565 -3.526 7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 82 21.968 -4.262 6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 82 20.860 -2.871 6.364 1.00 0.00 H new ATOM 943 N TRP A 83 18.285 -3.875 2.710 1.00 0.00 N ATOM 944 CA TRP A 83 17.730 -4.236 1.370 1.00 0.00 C ATOM 945 C TRP A 83 18.794 -5.025 0.604 1.00 0.00 C ATOM 946 O TRP A 83 19.792 -4.475 0.181 1.00 0.00 O ATOM 947 CB TRP A 83 17.416 -2.929 0.643 1.00 0.00 C ATOM 948 CG TRP A 83 16.908 -3.147 -0.752 1.00 0.00 C ATOM 949 CD1 TRP A 83 16.425 -4.305 -1.280 1.00 0.00 C ATOM 950 CD2 TRP A 83 16.824 -2.154 -1.807 1.00 0.00 C ATOM 951 NE1 TRP A 83 16.050 -4.067 -2.596 1.00 0.00 N ATOM 952 CE2 TRP A 83 16.280 -2.756 -2.963 1.00 0.00 C ATOM 953 CE3 TRP A 83 17.170 -0.793 -1.865 1.00 0.00 C ATOM 954 CZ2 TRP A 83 16.083 -2.029 -4.138 1.00 0.00 C ATOM 955 CZ3 TRP A 83 16.976 -0.060 -3.045 1.00 0.00 C ATOM 956 CH2 TRP A 83 16.432 -0.678 -4.179 1.00 0.00 C ATOM 0 H TRP A 83 19.009 -3.157 2.689 1.00 0.00 H new ATOM 0 HA TRP A 83 16.829 -4.844 1.453 1.00 0.00 H new ATOM 0 HB2 TRP A 83 16.672 -2.371 1.213 1.00 0.00 H new ATOM 0 HB3 TRP A 83 18.315 -2.314 0.605 1.00 0.00 H new ATOM 0 HD1 TRP A 83 16.347 -5.250 -0.763 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.653 -4.774 -3.215 1.00 0.00 H new ATOM 0 HE3 TRP A 83 17.588 -0.308 -0.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.663 -2.509 -5.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 17.247 0.985 -3.080 1.00 0.00 H new ATOM 0 HH2 TRP A 83 16.283 -0.109 -5.085 1.00 0.00 H new ATOM 967 N ILE A 84 18.602 -6.313 0.441 1.00 0.00 N ATOM 968 CA ILE A 84 19.616 -7.154 -0.279 1.00 0.00 C ATOM 969 C ILE A 84 18.937 -7.930 -1.408 1.00 0.00 C ATOM 970 O ILE A 84 17.797 -8.337 -1.300 1.00 0.00 O ATOM 971 CB ILE A 84 20.249 -8.133 0.716 1.00 0.00 C ATOM 972 CG1 ILE A 84 20.774 -7.353 1.924 1.00 0.00 C ATOM 973 CG2 ILE A 84 21.416 -8.869 0.053 1.00 0.00 C ATOM 974 CD1 ILE A 84 21.496 -8.307 2.875 1.00 0.00 C ATOM 0 H ILE A 84 17.784 -6.821 0.777 1.00 0.00 H new ATOM 0 HA ILE A 84 20.388 -6.514 -0.706 1.00 0.00 H new ATOM 0 HB ILE A 84 19.498 -8.857 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 84 21.454 -6.567 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 84 19.948 -6.864 2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 84 21.861 -9.563 0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 84 21.052 -9.422 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 84 22.167 -8.147 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.869 -7.750 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.803 -9.077 3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 84 22.332 -8.775 2.355 1.00 0.00 H new ATOM 986 N LYS A 85 19.640 -8.130 -2.496 1.00 0.00 N ATOM 987 CA LYS A 85 19.066 -8.872 -3.662 1.00 0.00 C ATOM 988 C LYS A 85 19.732 -10.244 -3.775 1.00 0.00 C ATOM 989 O LYS A 85 20.830 -10.459 -3.300 1.00 0.00 O ATOM 990 CB LYS A 85 19.321 -8.061 -4.944 1.00 0.00 C ATOM 991 CG LYS A 85 18.200 -7.043 -5.136 1.00 0.00 C ATOM 992 CD LYS A 85 18.495 -6.163 -6.358 1.00 0.00 C ATOM 993 CE LYS A 85 17.209 -5.497 -6.863 1.00 0.00 C ATOM 994 NZ LYS A 85 16.855 -4.365 -5.969 1.00 0.00 N ATOM 0 H LYS A 85 20.599 -7.807 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 85 17.994 -9.009 -3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.282 -7.551 -4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.372 -8.728 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.249 -7.558 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.104 -6.422 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.228 -5.400 -6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.934 -6.768 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.348 -5.139 -7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.396 -6.223 -6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.135 -3.771 -6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.478 -4.735 -5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.704 -3.795 -5.778 1.00 0.00 H new ATOM 1008 N GLY A 86 19.062 -11.175 -4.400 1.00 0.00 N ATOM 1009 CA GLY A 86 19.630 -12.546 -4.551 1.00 0.00 C ATOM 1010 C GLY A 86 20.351 -12.668 -5.894 1.00 0.00 C ATOM 1011 O GLY A 86 20.603 -11.692 -6.572 1.00 0.00 O ATOM 0 H GLY A 86 18.140 -11.044 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 86 20.324 -12.753 -3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.834 -13.288 -4.488 1.00 0.00 H new ATOM 1015 N ALA A 87 20.691 -13.868 -6.273 1.00 0.00 N ATOM 1016 CA ALA A 87 21.408 -14.083 -7.561 1.00 0.00 C ATOM 1017 C ALA A 87 20.475 -13.824 -8.754 1.00 0.00 C ATOM 1018 O ALA A 87 20.907 -13.850 -9.890 1.00 0.00 O ATOM 1019 CB ALA A 87 21.917 -15.529 -7.615 1.00 0.00 C ATOM 0 H ALA A 87 20.501 -14.717 -5.741 1.00 0.00 H new ATOM 0 HA ALA A 87 22.245 -13.387 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 87 22.443 -15.695 -8.555 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.597 -15.707 -6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 87 21.073 -16.215 -7.546 1.00 0.00 H new ATOM 1025 N GLN A 88 19.201 -13.593 -8.517 1.00 0.00 N ATOM 1026 CA GLN A 88 18.246 -13.353 -9.654 1.00 0.00 C ATOM 1027 C GLN A 88 17.414 -12.086 -9.409 1.00 0.00 C ATOM 1028 O GLN A 88 16.244 -12.029 -9.735 1.00 0.00 O ATOM 1029 CB GLN A 88 17.320 -14.564 -9.786 1.00 0.00 C ATOM 1030 CG GLN A 88 18.167 -15.841 -9.778 1.00 0.00 C ATOM 1031 CD GLN A 88 17.326 -17.023 -10.263 1.00 0.00 C ATOM 1032 OE1 GLN A 88 16.208 -16.849 -10.704 1.00 0.00 O ATOM 1033 NE2 GLN A 88 17.822 -18.231 -10.198 1.00 0.00 N ATOM 0 H GLN A 88 18.782 -13.560 -7.588 1.00 0.00 H new ATOM 0 HA GLN A 88 18.814 -13.213 -10.574 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.604 -14.582 -8.965 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.745 -14.499 -10.709 1.00 0.00 H new ATOM 0 HG2 GLN A 88 19.038 -15.715 -10.421 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.539 -16.036 -8.772 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.761 -18.377 -9.828 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.270 -19.027 -10.518 1.00 0.00 H new ATOM 1042 N GLY A 89 18.016 -11.058 -8.873 1.00 0.00 N ATOM 1043 CA GLY A 89 17.278 -9.780 -8.646 1.00 0.00 C ATOM 1044 C GLY A 89 16.215 -9.927 -7.549 1.00 0.00 C ATOM 1045 O GLY A 89 15.677 -8.949 -7.070 1.00 0.00 O ATOM 0 H GLY A 89 18.993 -11.048 -8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.983 -8.997 -8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.802 -9.465 -9.574 1.00 0.00 H new ATOM 1049 N GLY A 90 15.899 -11.125 -7.147 1.00 0.00 N ATOM 1050 CA GLY A 90 14.869 -11.303 -6.090 1.00 0.00 C ATOM 1051 C GLY A 90 15.197 -10.401 -4.905 1.00 0.00 C ATOM 1052 O GLY A 90 16.134 -10.634 -4.168 1.00 0.00 O ATOM 0 H GLY A 90 16.309 -11.988 -7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.882 -11.060 -6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.837 -12.345 -5.770 1.00 0.00 H new ATOM 1056 N ASP A 91 14.430 -9.371 -4.720 1.00 0.00 N ATOM 1057 CA ASP A 91 14.684 -8.446 -3.588 1.00 0.00 C ATOM 1058 C ASP A 91 14.194 -9.092 -2.292 1.00 0.00 C ATOM 1059 O ASP A 91 13.126 -9.669 -2.235 1.00 0.00 O ATOM 1060 CB ASP A 91 13.937 -7.125 -3.822 1.00 0.00 C ATOM 1061 CG ASP A 91 14.742 -6.241 -4.775 1.00 0.00 C ATOM 1062 OD1 ASP A 91 15.853 -5.888 -4.420 1.00 0.00 O ATOM 1063 OD2 ASP A 91 14.234 -5.933 -5.841 1.00 0.00 O ATOM 0 H ASP A 91 13.633 -9.128 -5.308 1.00 0.00 H new ATOM 0 HA ASP A 91 15.752 -8.243 -3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.950 -7.323 -4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.784 -6.609 -2.874 1.00 0.00 H new ATOM 1068 N TYR A 92 14.976 -8.991 -1.253 1.00 0.00 N ATOM 1069 CA TYR A 92 14.591 -9.583 0.064 1.00 0.00 C ATOM 1070 C TYR A 92 14.812 -8.524 1.147 1.00 0.00 C ATOM 1071 O TYR A 92 15.849 -7.894 1.202 1.00 0.00 O ATOM 1072 CB TYR A 92 15.464 -10.810 0.330 1.00 0.00 C ATOM 1073 CG TYR A 92 15.208 -11.845 -0.747 1.00 0.00 C ATOM 1074 CD1 TYR A 92 14.127 -12.730 -0.632 1.00 0.00 C ATOM 1075 CD2 TYR A 92 16.050 -11.918 -1.865 1.00 0.00 C ATOM 1076 CE1 TYR A 92 13.890 -13.683 -1.629 1.00 0.00 C ATOM 1077 CE2 TYR A 92 15.812 -12.872 -2.860 1.00 0.00 C ATOM 1078 CZ TYR A 92 14.733 -13.754 -2.743 1.00 0.00 C ATOM 1079 OH TYR A 92 14.500 -14.694 -3.726 1.00 0.00 O ATOM 0 H TYR A 92 15.879 -8.517 -1.259 1.00 0.00 H new ATOM 0 HA TYR A 92 13.545 -9.890 0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 92 16.517 -10.528 0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 92 15.239 -11.226 1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.476 -12.676 0.228 1.00 0.00 H new ATOM 0 HD2 TYR A 92 16.883 -11.237 -1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.056 -14.364 -1.538 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.463 -12.928 -3.720 1.00 0.00 H new ATOM 0 HH TYR A 92 15.177 -14.607 -4.429 1.00 0.00 H new ATOM 1089 N PHE A 93 13.833 -8.302 1.993 1.00 0.00 N ATOM 1090 CA PHE A 93 13.963 -7.260 3.054 1.00 0.00 C ATOM 1091 C PHE A 93 14.217 -7.918 4.412 1.00 0.00 C ATOM 1092 O PHE A 93 13.431 -8.708 4.895 1.00 0.00 O ATOM 1093 CB PHE A 93 12.667 -6.442 3.095 1.00 0.00 C ATOM 1094 CG PHE A 93 12.406 -5.849 1.724 1.00 0.00 C ATOM 1095 CD1 PHE A 93 13.115 -4.716 1.297 1.00 0.00 C ATOM 1096 CD2 PHE A 93 11.466 -6.443 0.869 1.00 0.00 C ATOM 1097 CE1 PHE A 93 12.884 -4.185 0.023 1.00 0.00 C ATOM 1098 CE2 PHE A 93 11.235 -5.907 -0.403 1.00 0.00 C ATOM 1099 CZ PHE A 93 11.946 -4.780 -0.827 1.00 0.00 C ATOM 0 H PHE A 93 12.945 -8.803 1.991 1.00 0.00 H new ATOM 0 HA PHE A 93 14.806 -6.606 2.830 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.832 -7.076 3.395 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.747 -5.649 3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 93 13.839 -4.254 1.952 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.919 -7.316 1.193 1.00 0.00 H new ATOM 0 HE1 PHE A 93 13.431 -3.314 -0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 93 10.507 -6.364 -1.057 1.00 0.00 H new ATOM 0 HZ PHE A 93 11.771 -4.369 -1.810 1.00 0.00 H new ATOM 1109 N TYR A 94 15.327 -7.589 5.022 1.00 0.00 N ATOM 1110 CA TYR A 94 15.690 -8.169 6.349 1.00 0.00 C ATOM 1111 C TYR A 94 15.519 -7.104 7.432 1.00 0.00 C ATOM 1112 O TYR A 94 15.894 -5.963 7.257 1.00 0.00 O ATOM 1113 CB TYR A 94 17.163 -8.622 6.303 1.00 0.00 C ATOM 1114 CG TYR A 94 17.238 -10.083 5.941 1.00 0.00 C ATOM 1115 CD1 TYR A 94 17.178 -10.474 4.602 1.00 0.00 C ATOM 1116 CD2 TYR A 94 17.356 -11.041 6.949 1.00 0.00 C ATOM 1117 CE1 TYR A 94 17.239 -11.829 4.269 1.00 0.00 C ATOM 1118 CE2 TYR A 94 17.415 -12.398 6.618 1.00 0.00 C ATOM 1119 CZ TYR A 94 17.357 -12.793 5.276 1.00 0.00 C ATOM 1120 OH TYR A 94 17.415 -14.132 4.948 1.00 0.00 O ATOM 0 H TYR A 94 16.010 -6.930 4.648 1.00 0.00 H new ATOM 0 HA TYR A 94 15.045 -9.019 6.575 1.00 0.00 H new ATOM 0 HB2 TYR A 94 17.713 -8.028 5.572 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.635 -8.453 7.271 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.085 -9.730 3.825 1.00 0.00 H new ATOM 0 HD2 TYR A 94 17.402 -10.734 7.984 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.195 -12.133 3.234 1.00 0.00 H new ATOM 0 HE2 TYR A 94 17.505 -13.141 7.397 1.00 0.00 H new ATOM 0 HH TYR A 94 17.497 -14.666 5.766 1.00 0.00 H new ATOM 1130 N SER A 95 14.964 -7.480 8.554 1.00 0.00 N ATOM 1131 CA SER A 95 14.764 -6.512 9.673 1.00 0.00 C ATOM 1132 C SER A 95 15.364 -7.091 10.961 1.00 0.00 C ATOM 1133 O SER A 95 15.122 -8.228 11.315 1.00 0.00 O ATOM 1134 CB SER A 95 13.260 -6.264 9.855 1.00 0.00 C ATOM 1135 OG SER A 95 13.047 -4.915 10.236 1.00 0.00 O ATOM 0 H SER A 95 14.637 -8.427 8.745 1.00 0.00 H new ATOM 0 HA SER A 95 15.260 -5.569 9.445 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.730 -6.479 8.927 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.859 -6.935 10.614 1.00 0.00 H new ATOM 0 HG SER A 95 12.119 -4.664 10.045 1.00 0.00 H new ATOM 1141 N PHE A 96 16.120 -6.300 11.672 1.00 0.00 N ATOM 1142 CA PHE A 96 16.722 -6.757 12.954 1.00 0.00 C ATOM 1143 C PHE A 96 16.509 -5.643 13.978 1.00 0.00 C ATOM 1144 O PHE A 96 17.314 -4.744 14.114 1.00 0.00 O ATOM 1145 CB PHE A 96 18.218 -6.969 12.777 1.00 0.00 C ATOM 1146 CG PHE A 96 18.465 -8.244 12.006 1.00 0.00 C ATOM 1147 CD1 PHE A 96 18.284 -9.482 12.627 1.00 0.00 C ATOM 1148 CD2 PHE A 96 18.894 -8.185 10.680 1.00 0.00 C ATOM 1149 CE1 PHE A 96 18.528 -10.663 11.918 1.00 0.00 C ATOM 1150 CE2 PHE A 96 19.143 -9.363 9.971 1.00 0.00 C ATOM 1151 CZ PHE A 96 18.959 -10.604 10.589 1.00 0.00 C ATOM 0 H PHE A 96 16.349 -5.340 11.413 1.00 0.00 H new ATOM 0 HA PHE A 96 16.264 -7.692 13.275 1.00 0.00 H new ATOM 0 HB2 PHE A 96 18.655 -6.122 12.247 1.00 0.00 H new ATOM 0 HB3 PHE A 96 18.705 -7.022 13.751 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.956 -9.527 13.655 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.034 -7.227 10.201 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.384 -11.620 12.397 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.478 -9.315 8.945 1.00 0.00 H new ATOM 0 HZ PHE A 96 19.149 -11.515 10.041 1.00 0.00 H new ATOM 1161 N GLY A 97 15.424 -5.696 14.686 1.00 0.00 N ATOM 1162 CA GLY A 97 15.110 -4.650 15.705 1.00 0.00 C ATOM 1163 C GLY A 97 13.638 -4.255 15.554 1.00 0.00 C ATOM 1164 O GLY A 97 12.869 -4.944 14.913 1.00 0.00 O ATOM 0 H GLY A 97 14.723 -6.433 14.605 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.300 -5.029 16.709 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.752 -3.780 15.566 1.00 0.00 H new ATOM 1168 N GLY A 98 13.240 -3.146 16.119 1.00 0.00 N ATOM 1169 CA GLY A 98 11.817 -2.708 15.982 1.00 0.00 C ATOM 1170 C GLY A 98 10.868 -3.891 16.225 1.00 0.00 C ATOM 1171 O GLY A 98 9.750 -3.901 15.749 1.00 0.00 O ATOM 0 H GLY A 98 13.835 -2.525 16.668 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.605 -1.911 16.694 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.650 -2.298 14.986 1.00 0.00 H new ATOM 1175 N CYS A 99 11.299 -4.891 16.949 1.00 0.00 N ATOM 1176 CA CYS A 99 10.415 -6.064 17.200 1.00 0.00 C ATOM 1177 C CYS A 99 9.076 -5.591 17.775 1.00 0.00 C ATOM 1178 O CYS A 99 8.025 -5.880 17.241 1.00 0.00 O ATOM 1179 CB CYS A 99 11.103 -7.013 18.187 1.00 0.00 C ATOM 1180 SG CYS A 99 12.879 -7.057 17.838 1.00 0.00 S ATOM 0 H CYS A 99 12.224 -4.945 17.376 1.00 0.00 H new ATOM 0 HA CYS A 99 10.230 -6.589 16.263 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.930 -6.679 19.210 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.679 -8.014 18.102 1.00 0.00 H new ATOM 0 HG CYS A 99 13.466 -7.860 18.675 1.00 0.00 H new ATOM 1186 N HIS A 100 9.104 -4.872 18.862 1.00 0.00 N ATOM 1187 CA HIS A 100 7.830 -4.390 19.467 1.00 0.00 C ATOM 1188 C HIS A 100 7.102 -3.474 18.479 1.00 0.00 C ATOM 1189 O HIS A 100 5.889 -3.450 18.424 1.00 0.00 O ATOM 1190 CB HIS A 100 8.135 -3.627 20.762 1.00 0.00 C ATOM 1191 CG HIS A 100 8.402 -4.606 21.875 1.00 0.00 C ATOM 1192 ND1 HIS A 100 9.587 -5.319 21.968 1.00 0.00 N ATOM 1193 CD2 HIS A 100 7.639 -5.006 22.944 1.00 0.00 C ATOM 1194 CE1 HIS A 100 9.503 -6.105 23.057 1.00 0.00 C ATOM 1195 NE2 HIS A 100 8.336 -5.953 23.689 1.00 0.00 N ATOM 0 H HIS A 100 9.952 -4.597 19.357 1.00 0.00 H new ATOM 0 HA HIS A 100 7.191 -5.243 19.695 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.000 -2.979 20.619 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.295 -2.984 21.024 1.00 0.00 H new ATOM 0 HD1 HIS A 100 10.379 -5.259 21.328 1.00 0.00 H new ATOM 0 HD2 HIS A 100 6.648 -4.641 23.172 1.00 0.00 H new ATOM 0 HE1 HIS A 100 10.284 -6.777 23.381 1.00 0.00 H new ATOM 1203 N ARG A 101 7.825 -2.722 17.695 1.00 0.00 N ATOM 1204 CA ARG A 101 7.154 -1.821 16.718 1.00 0.00 C ATOM 1205 C ARG A 101 6.381 -2.666 15.701 1.00 0.00 C ATOM 1206 O ARG A 101 5.353 -2.260 15.196 1.00 0.00 O ATOM 1207 CB ARG A 101 8.205 -0.957 16.003 1.00 0.00 C ATOM 1208 CG ARG A 101 7.529 0.257 15.308 1.00 0.00 C ATOM 1209 CD ARG A 101 7.897 1.567 16.026 1.00 0.00 C ATOM 1210 NE ARG A 101 9.381 1.675 16.168 1.00 0.00 N ATOM 1211 CZ ARG A 101 10.095 2.313 15.278 1.00 0.00 C ATOM 1212 NH1 ARG A 101 9.529 2.821 14.217 1.00 0.00 N ATOM 1213 NH2 ARG A 101 11.384 2.429 15.443 1.00 0.00 N ATOM 0 H ARG A 101 8.845 -2.693 17.689 1.00 0.00 H new ATOM 0 HA ARG A 101 6.458 -1.164 17.240 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.946 -0.606 16.721 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.736 -1.557 15.264 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.843 0.307 14.265 1.00 0.00 H new ATOM 0 HG3 ARG A 101 6.447 0.127 15.309 1.00 0.00 H new ATOM 0 HD2 ARG A 101 7.515 2.419 15.464 1.00 0.00 H new ATOM 0 HD3 ARG A 101 7.427 1.597 17.009 1.00 0.00 H new ATOM 0 HE ARG A 101 9.843 1.245 16.970 1.00 0.00 H new ATOM 0 HH11 ARG A 101 8.523 2.721 14.078 1.00 0.00 H new ATOM 0 HH12 ARG A 101 10.092 3.318 13.527 1.00 0.00 H new ATOM 0 HH21 ARG A 101 11.832 2.023 16.264 1.00 0.00 H new ATOM 0 HH22 ARG A 101 11.944 2.926 14.751 1.00 0.00 H new ATOM 1227 N TYR A 102 6.862 -3.843 15.405 1.00 0.00 N ATOM 1228 CA TYR A 102 6.152 -4.722 14.433 1.00 0.00 C ATOM 1229 C TYR A 102 4.831 -5.194 15.056 1.00 0.00 C ATOM 1230 O TYR A 102 3.806 -5.222 14.409 1.00 0.00 O ATOM 1231 CB TYR A 102 7.046 -5.928 14.100 1.00 0.00 C ATOM 1232 CG TYR A 102 6.247 -6.992 13.385 1.00 0.00 C ATOM 1233 CD1 TYR A 102 5.522 -7.920 14.133 1.00 0.00 C ATOM 1234 CD2 TYR A 102 6.234 -7.054 11.985 1.00 0.00 C ATOM 1235 CE1 TYR A 102 4.777 -8.913 13.490 1.00 0.00 C ATOM 1236 CE2 TYR A 102 5.489 -8.048 11.339 1.00 0.00 C ATOM 1237 CZ TYR A 102 4.759 -8.977 12.091 1.00 0.00 C ATOM 1238 OH TYR A 102 4.025 -9.957 11.455 1.00 0.00 O ATOM 0 H TYR A 102 7.719 -4.235 15.796 1.00 0.00 H new ATOM 0 HA TYR A 102 5.937 -4.174 13.515 1.00 0.00 H new ATOM 0 HB2 TYR A 102 7.880 -5.609 13.475 1.00 0.00 H new ATOM 0 HB3 TYR A 102 7.472 -6.338 15.016 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.536 -7.871 15.212 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.797 -6.337 11.406 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.216 -9.630 14.071 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.477 -8.098 10.260 1.00 0.00 H new ATOM 0 HH TYR A 102 4.120 -9.859 10.485 1.00 0.00 H new ATOM 1248 N ALA A 103 4.853 -5.565 16.308 1.00 0.00 N ATOM 1249 CA ALA A 103 3.603 -6.036 16.978 1.00 0.00 C ATOM 1250 C ALA A 103 2.533 -4.943 16.924 1.00 0.00 C ATOM 1251 O ALA A 103 1.382 -5.207 16.638 1.00 0.00 O ATOM 1252 CB ALA A 103 3.905 -6.373 18.440 1.00 0.00 C ATOM 0 H ALA A 103 5.685 -5.563 16.899 1.00 0.00 H new ATOM 0 HA ALA A 103 3.236 -6.923 16.461 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.994 -6.717 18.930 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.659 -7.159 18.484 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.277 -5.484 18.949 1.00 0.00 H new ATOM 1258 N ALA A 104 2.893 -3.721 17.202 1.00 0.00 N ATOM 1259 CA ALA A 104 1.882 -2.627 17.170 1.00 0.00 C ATOM 1260 C ALA A 104 1.294 -2.515 15.761 1.00 0.00 C ATOM 1261 O ALA A 104 0.097 -2.413 15.584 1.00 0.00 O ATOM 1262 CB ALA A 104 2.544 -1.303 17.562 1.00 0.00 C ATOM 0 H ALA A 104 3.840 -3.433 17.449 1.00 0.00 H new ATOM 0 HA ALA A 104 1.083 -2.851 17.877 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.803 -0.504 17.538 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.956 -1.386 18.568 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.346 -1.075 16.860 1.00 0.00 H new ATOM 1268 N TYR A 105 2.127 -2.536 14.759 1.00 0.00 N ATOM 1269 CA TYR A 105 1.620 -2.434 13.364 1.00 0.00 C ATOM 1270 C TYR A 105 0.843 -3.714 13.015 1.00 0.00 C ATOM 1271 O TYR A 105 -0.205 -3.669 12.402 1.00 0.00 O ATOM 1272 CB TYR A 105 2.828 -2.271 12.412 1.00 0.00 C ATOM 1273 CG TYR A 105 2.995 -0.827 11.990 1.00 0.00 C ATOM 1274 CD1 TYR A 105 2.275 -0.336 10.897 1.00 0.00 C ATOM 1275 CD2 TYR A 105 3.876 0.013 12.683 1.00 0.00 C ATOM 1276 CE1 TYR A 105 2.428 0.994 10.495 1.00 0.00 C ATOM 1277 CE2 TYR A 105 4.031 1.347 12.278 1.00 0.00 C ATOM 1278 CZ TYR A 105 3.306 1.837 11.186 1.00 0.00 C ATOM 1279 OH TYR A 105 3.459 3.149 10.788 1.00 0.00 O ATOM 0 H TYR A 105 3.140 -2.620 14.847 1.00 0.00 H new ATOM 0 HA TYR A 105 0.955 -1.576 13.261 1.00 0.00 H new ATOM 0 HB2 TYR A 105 3.735 -2.616 12.908 1.00 0.00 H new ATOM 0 HB3 TYR A 105 2.688 -2.897 11.531 1.00 0.00 H new ATOM 0 HD1 TYR A 105 1.599 -0.986 10.362 1.00 0.00 H new ATOM 0 HD2 TYR A 105 4.434 -0.365 13.527 1.00 0.00 H new ATOM 0 HE1 TYR A 105 1.869 1.371 9.651 1.00 0.00 H new ATOM 0 HE2 TYR A 105 4.711 1.997 12.810 1.00 0.00 H new ATOM 0 HH TYR A 105 4.105 3.596 11.375 1.00 0.00 H new ATOM 1289 N GLN A 106 1.362 -4.851 13.389 1.00 0.00 N ATOM 1290 CA GLN A 106 0.679 -6.132 13.073 1.00 0.00 C ATOM 1291 C GLN A 106 -0.647 -6.220 13.832 1.00 0.00 C ATOM 1292 O GLN A 106 -1.620 -6.755 13.339 1.00 0.00 O ATOM 1293 CB GLN A 106 1.592 -7.295 13.490 1.00 0.00 C ATOM 1294 CG GLN A 106 1.025 -8.646 12.972 1.00 0.00 C ATOM 1295 CD GLN A 106 0.593 -9.543 14.145 1.00 0.00 C ATOM 1296 OE1 GLN A 106 -0.279 -9.103 15.015 1.00 0.00 O flip ATOM 1297 NE2 GLN A 106 1.057 -10.659 14.269 1.00 0.00 N flip ATOM 0 H GLN A 106 2.237 -4.946 13.904 1.00 0.00 H new ATOM 0 HA GLN A 106 0.474 -6.184 12.004 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.595 -7.138 13.092 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.681 -7.324 14.576 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.174 -8.461 12.317 1.00 0.00 H new ATOM 0 HG3 GLN A 106 1.780 -9.158 12.376 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.737 -11.006 13.593 1.00 0.00 H new ATOM 0 HE22 GLN A 106 0.766 -11.248 15.049 1.00 0.00 H new ATOM 1306 N GLN A 107 -0.693 -5.705 15.028 1.00 0.00 N ATOM 1307 CA GLN A 107 -1.955 -5.765 15.818 1.00 0.00 C ATOM 1308 C GLN A 107 -2.995 -4.829 15.197 1.00 0.00 C ATOM 1309 O GLN A 107 -4.173 -5.125 15.173 1.00 0.00 O ATOM 1310 CB GLN A 107 -1.673 -5.333 17.258 1.00 0.00 C ATOM 1311 CG GLN A 107 -2.978 -5.336 18.058 1.00 0.00 C ATOM 1312 CD GLN A 107 -2.661 -5.290 19.555 1.00 0.00 C ATOM 1313 OE1 GLN A 107 -1.776 -4.574 19.980 1.00 0.00 O ATOM 1314 NE2 GLN A 107 -3.353 -6.030 20.378 1.00 0.00 N ATOM 0 H GLN A 107 0.089 -5.245 15.494 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.339 -6.785 15.812 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.951 -6.009 17.717 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -1.229 -4.337 17.270 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.590 -4.478 17.779 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -3.557 -6.230 17.826 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.096 -6.631 20.022 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.151 -6.007 21.377 1.00 0.00 H new ATOM 1323 N LEU A 108 -2.570 -3.701 14.699 1.00 0.00 N ATOM 1324 CA LEU A 108 -3.534 -2.745 14.085 1.00 0.00 C ATOM 1325 C LEU A 108 -3.989 -3.271 12.721 1.00 0.00 C ATOM 1326 O LEU A 108 -4.626 -2.572 11.957 1.00 0.00 O ATOM 1327 CB LEU A 108 -2.854 -1.384 13.917 1.00 0.00 C ATOM 1328 CG LEU A 108 -2.606 -0.764 15.305 1.00 0.00 C ATOM 1329 CD1 LEU A 108 -1.726 0.487 15.166 1.00 0.00 C ATOM 1330 CD2 LEU A 108 -3.950 -0.392 15.972 1.00 0.00 C ATOM 0 H LEU A 108 -1.596 -3.400 14.691 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.406 -2.640 14.731 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.910 -1.499 13.384 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.480 -0.723 13.317 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.094 -1.494 15.932 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.554 0.922 16.151 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.771 0.212 14.718 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.228 1.216 14.530 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.761 0.045 16.952 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.478 0.330 15.349 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.560 -1.288 16.086 1.00 0.00 H new ATOM 1342 N GLN A 109 -3.677 -4.501 12.414 1.00 0.00 N ATOM 1343 CA GLN A 109 -4.099 -5.080 11.105 1.00 0.00 C ATOM 1344 C GLN A 109 -3.822 -4.085 9.974 1.00 0.00 C ATOM 1345 O GLN A 109 -4.633 -3.896 9.089 1.00 0.00 O ATOM 1346 CB GLN A 109 -5.596 -5.394 11.148 1.00 0.00 C ATOM 1347 CG GLN A 109 -5.927 -6.116 12.456 1.00 0.00 C ATOM 1348 CD GLN A 109 -7.339 -6.700 12.373 1.00 0.00 C ATOM 1349 OE1 GLN A 109 -8.058 -6.487 11.305 1.00 0.00 O flip ATOM 1350 NE2 GLN A 109 -7.792 -7.358 13.289 1.00 0.00 N flip ATOM 0 H GLN A 109 -3.147 -5.132 13.015 1.00 0.00 H new ATOM 0 HA GLN A 109 -3.534 -5.994 10.922 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -6.174 -4.473 11.072 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.873 -6.016 10.297 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -5.203 -6.911 12.638 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -5.857 -5.423 13.294 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -7.230 -7.525 14.124 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.734 -7.744 13.223 1.00 0.00 H new ATOM 1359 N ARG A 110 -2.682 -3.452 9.991 1.00 0.00 N ATOM 1360 CA ARG A 110 -2.351 -2.478 8.916 1.00 0.00 C ATOM 1361 C ARG A 110 -1.833 -3.237 7.697 1.00 0.00 C ATOM 1362 O ARG A 110 -1.441 -4.383 7.784 1.00 0.00 O ATOM 1363 CB ARG A 110 -1.282 -1.508 9.425 1.00 0.00 C ATOM 1364 CG ARG A 110 -1.871 -0.600 10.525 1.00 0.00 C ATOM 1365 CD ARG A 110 -2.612 0.589 9.897 1.00 0.00 C ATOM 1366 NE ARG A 110 -2.995 1.552 10.968 1.00 0.00 N ATOM 1367 CZ ARG A 110 -4.041 1.318 11.713 1.00 0.00 C ATOM 1368 NH1 ARG A 110 -4.752 0.241 11.520 1.00 0.00 N ATOM 1369 NH2 ARG A 110 -4.376 2.162 12.651 1.00 0.00 N ATOM 0 H ARG A 110 -1.964 -3.568 10.706 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.240 -1.913 8.636 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.432 -2.065 9.819 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.910 -0.899 8.601 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.555 -1.173 11.151 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.073 -0.238 11.173 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.976 1.080 9.160 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.500 0.241 9.370 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.440 2.394 11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.490 -0.418 10.787 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.569 0.058 12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.820 3.004 12.802 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.193 1.979 13.233 1.00 0.00 H new ATOM 1383 N GLU A 111 -1.857 -2.611 6.556 1.00 0.00 N ATOM 1384 CA GLU A 111 -1.398 -3.285 5.312 1.00 0.00 C ATOM 1385 C GLU A 111 0.133 -3.172 5.168 1.00 0.00 C ATOM 1386 O GLU A 111 0.790 -4.128 4.799 1.00 0.00 O ATOM 1387 CB GLU A 111 -2.121 -2.625 4.124 1.00 0.00 C ATOM 1388 CG GLU A 111 -1.399 -2.934 2.808 1.00 0.00 C ATOM 1389 CD GLU A 111 -2.366 -2.769 1.630 1.00 0.00 C ATOM 1390 OE1 GLU A 111 -3.034 -1.749 1.576 1.00 0.00 O ATOM 1391 OE2 GLU A 111 -2.422 -3.666 0.805 1.00 0.00 O ATOM 0 H GLU A 111 -2.178 -1.651 6.431 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.637 -4.348 5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.149 -2.984 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.167 -1.546 4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -0.546 -2.266 2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.007 -3.951 2.828 1.00 0.00 H new ATOM 1398 N THR A 112 0.711 -2.022 5.444 1.00 0.00 N ATOM 1399 CA THR A 112 2.204 -1.870 5.303 1.00 0.00 C ATOM 1400 C THR A 112 2.791 -1.171 6.529 1.00 0.00 C ATOM 1401 O THR A 112 2.080 -0.759 7.424 1.00 0.00 O ATOM 1402 CB THR A 112 2.509 -1.014 4.069 1.00 0.00 C ATOM 1403 OG1 THR A 112 1.715 0.163 4.113 1.00 0.00 O ATOM 1404 CG2 THR A 112 2.197 -1.789 2.778 1.00 0.00 C ATOM 0 H THR A 112 0.219 -1.186 5.759 1.00 0.00 H new ATOM 0 HA THR A 112 2.646 -2.862 5.205 1.00 0.00 H new ATOM 0 HB THR A 112 3.568 -0.756 4.073 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.785 0.637 3.258 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.421 -1.163 1.914 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.807 -2.692 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.142 -2.063 2.764 1.00 0.00 H new ATOM 1412 N ILE A 113 4.099 -1.027 6.565 1.00 0.00 N ATOM 1413 CA ILE A 113 4.760 -0.340 7.728 1.00 0.00 C ATOM 1414 C ILE A 113 5.891 0.579 7.225 1.00 0.00 C ATOM 1415 O ILE A 113 6.628 0.196 6.338 1.00 0.00 O ATOM 1416 CB ILE A 113 5.377 -1.383 8.665 1.00 0.00 C ATOM 1417 CG1 ILE A 113 5.848 -0.677 9.938 1.00 0.00 C ATOM 1418 CG2 ILE A 113 6.578 -2.061 7.988 1.00 0.00 C ATOM 1419 CD1 ILE A 113 6.317 -1.710 10.966 1.00 0.00 C ATOM 0 H ILE A 113 4.737 -1.355 5.840 1.00 0.00 H new ATOM 0 HA ILE A 113 4.007 0.245 8.255 1.00 0.00 H new ATOM 0 HB ILE A 113 4.633 -2.143 8.904 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.661 0.010 9.703 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.037 -0.080 10.354 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.007 -2.800 8.664 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.249 -2.554 7.073 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.330 -1.311 7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.651 -1.199 11.869 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.492 -2.379 11.211 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.142 -2.288 10.550 1.00 0.00 H new ATOM 1431 N PRO A 114 6.082 1.764 7.789 1.00 0.00 N ATOM 1432 CA PRO A 114 7.201 2.649 7.352 1.00 0.00 C ATOM 1433 C PRO A 114 8.553 2.037 7.739 1.00 0.00 C ATOM 1434 O PRO A 114 8.754 1.619 8.862 1.00 0.00 O ATOM 1435 CB PRO A 114 6.969 3.982 8.099 1.00 0.00 C ATOM 1436 CG PRO A 114 5.586 3.891 8.676 1.00 0.00 C ATOM 1437 CD PRO A 114 5.294 2.403 8.869 1.00 0.00 C ATOM 0 HA PRO A 114 7.220 2.785 6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.712 4.125 8.884 1.00 0.00 H new ATOM 0 HB3 PRO A 114 7.055 4.831 7.421 1.00 0.00 H new ATOM 0 HG2 PRO A 114 5.525 4.425 9.625 1.00 0.00 H new ATOM 0 HG3 PRO A 114 4.856 4.346 8.007 1.00 0.00 H new ATOM 0 HD2 PRO A 114 5.605 2.056 9.854 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.230 2.185 8.775 1.00 0.00 H new ATOM 1445 N ALA A 115 9.476 1.976 6.824 1.00 0.00 N ATOM 1446 CA ALA A 115 10.806 1.385 7.149 1.00 0.00 C ATOM 1447 C ALA A 115 11.882 2.005 6.259 1.00 0.00 C ATOM 1448 O ALA A 115 11.751 2.063 5.051 1.00 0.00 O ATOM 1449 CB ALA A 115 10.763 -0.126 6.912 1.00 0.00 C ATOM 0 H ALA A 115 9.370 2.309 5.866 1.00 0.00 H new ATOM 0 HA ALA A 115 11.042 1.588 8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 115 11.735 -0.559 7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 115 10.001 -0.573 7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 115 10.523 -0.324 5.867 1.00 0.00 H new ATOM 1455 N LYS A 116 12.946 2.469 6.852 1.00 0.00 N ATOM 1456 CA LYS A 116 14.042 3.083 6.051 1.00 0.00 C ATOM 1457 C LYS A 116 14.795 1.980 5.300 1.00 0.00 C ATOM 1458 O LYS A 116 15.299 1.048 5.896 1.00 0.00 O ATOM 1459 CB LYS A 116 15.017 3.826 6.988 1.00 0.00 C ATOM 1460 CG LYS A 116 15.656 5.002 6.248 1.00 0.00 C ATOM 1461 CD LYS A 116 16.598 5.751 7.193 1.00 0.00 C ATOM 1462 CE LYS A 116 17.431 6.754 6.393 1.00 0.00 C ATOM 1463 NZ LYS A 116 16.535 7.554 5.510 1.00 0.00 N ATOM 0 H LYS A 116 13.105 2.450 7.859 1.00 0.00 H new ATOM 0 HA LYS A 116 13.620 3.791 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 116 14.486 4.185 7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 116 15.790 3.142 7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 116 16.207 4.642 5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.883 5.676 5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 116 16.024 6.269 7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 116 17.252 5.046 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 116 17.975 7.413 7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 116 18.175 6.229 5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 17.029 8.416 5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 16.275 6.989 4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 15.675 7.815 6.033 1.00 0.00 H new ATOM 1477 N LEU A 117 14.890 2.080 4.003 1.00 0.00 N ATOM 1478 CA LEU A 117 15.629 1.031 3.231 1.00 0.00 C ATOM 1479 C LEU A 117 17.110 1.403 3.164 1.00 0.00 C ATOM 1480 O LEU A 117 17.467 2.541 2.927 1.00 0.00 O ATOM 1481 CB LEU A 117 15.081 0.923 1.801 1.00 0.00 C ATOM 1482 CG LEU A 117 13.573 0.619 1.808 1.00 0.00 C ATOM 1483 CD1 LEU A 117 13.104 0.374 0.367 1.00 0.00 C ATOM 1484 CD2 LEU A 117 13.281 -0.630 2.651 1.00 0.00 C ATOM 0 H LEU A 117 14.493 2.835 3.444 1.00 0.00 H new ATOM 0 HA LEU A 117 15.499 0.073 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 117 15.265 1.855 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.611 0.137 1.263 1.00 0.00 H new ATOM 0 HG LEU A 117 13.043 1.468 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.036 0.158 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.296 1.263 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 117 13.647 -0.473 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.210 -0.831 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.812 -1.484 2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.613 -0.463 3.676 1.00 0.00 H new ATOM 1496 N VAL A 118 17.975 0.442 3.369 1.00 0.00 N ATOM 1497 CA VAL A 118 19.447 0.704 3.320 1.00 0.00 C ATOM 1498 C VAL A 118 20.120 -0.373 2.469 1.00 0.00 C ATOM 1499 O VAL A 118 20.249 -1.510 2.877 1.00 0.00 O ATOM 1500 CB VAL A 118 20.020 0.657 4.739 1.00 0.00 C ATOM 1501 CG1 VAL A 118 21.539 0.844 4.686 1.00 0.00 C ATOM 1502 CG2 VAL A 118 19.397 1.772 5.578 1.00 0.00 C ATOM 0 H VAL A 118 17.721 -0.525 3.571 1.00 0.00 H new ATOM 0 HA VAL A 118 19.630 1.687 2.885 1.00 0.00 H new ATOM 0 HB VAL A 118 19.790 -0.308 5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.945 0.810 5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 118 21.983 0.047 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.771 1.808 4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.805 1.738 6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.625 2.738 5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.316 1.636 5.619 1.00 0.00 H new ATOM 1512 N GLN A 119 20.550 -0.025 1.287 1.00 0.00 N ATOM 1513 CA GLN A 119 21.215 -1.035 0.412 1.00 0.00 C ATOM 1514 C GLN A 119 22.311 -1.745 1.217 1.00 0.00 C ATOM 1515 O GLN A 119 23.106 -1.117 1.887 1.00 0.00 O ATOM 1516 CB GLN A 119 21.839 -0.335 -0.816 1.00 0.00 C ATOM 1517 CG GLN A 119 22.022 -1.321 -1.989 1.00 0.00 C ATOM 1518 CD GLN A 119 22.456 -2.695 -1.487 1.00 0.00 C ATOM 1519 OE1 GLN A 119 23.651 -2.842 -1.011 1.00 0.00 O flip ATOM 1520 NE2 GLN A 119 21.696 -3.642 -1.530 1.00 0.00 N flip ATOM 0 H GLN A 119 20.471 0.911 0.889 1.00 0.00 H new ATOM 0 HA GLN A 119 20.481 -1.763 0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 119 21.202 0.492 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 119 22.804 0.092 -0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 119 21.087 -1.411 -2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 119 22.767 -0.932 -2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 119 20.755 -3.524 -1.905 1.00 0.00 H new ATOM 0 HE22 GLN A 119 21.999 -4.555 -1.191 1.00 0.00 H new ATOM 1529 N SER A 120 22.353 -3.052 1.159 1.00 0.00 N ATOM 1530 CA SER A 120 23.390 -3.816 1.922 1.00 0.00 C ATOM 1531 C SER A 120 23.925 -4.957 1.052 1.00 0.00 C ATOM 1532 O SER A 120 23.529 -5.120 -0.086 1.00 0.00 O ATOM 1533 CB SER A 120 22.753 -4.391 3.191 1.00 0.00 C ATOM 1534 OG SER A 120 22.686 -3.378 4.184 1.00 0.00 O ATOM 0 H SER A 120 21.711 -3.627 0.613 1.00 0.00 H new ATOM 0 HA SER A 120 24.213 -3.155 2.192 1.00 0.00 H new ATOM 0 HB2 SER A 120 21.754 -4.768 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 120 23.339 -5.235 3.555 1.00 0.00 H new ATOM 0 HG SER A 120 22.791 -2.499 3.763 1.00 0.00 H new ATOM 1540 N THR A 121 24.829 -5.743 1.583 1.00 0.00 N ATOM 1541 CA THR A 121 25.415 -6.881 0.808 1.00 0.00 C ATOM 1542 C THR A 121 25.286 -8.172 1.622 1.00 0.00 C ATOM 1543 O THR A 121 25.102 -8.151 2.828 1.00 0.00 O ATOM 1544 CB THR A 121 26.895 -6.595 0.542 1.00 0.00 C ATOM 1545 OG1 THR A 121 27.498 -6.093 1.726 1.00 0.00 O ATOM 1546 CG2 THR A 121 27.025 -5.560 -0.577 1.00 0.00 C ATOM 0 H THR A 121 25.190 -5.643 2.532 1.00 0.00 H new ATOM 0 HA THR A 121 24.885 -6.994 -0.138 1.00 0.00 H new ATOM 0 HB THR A 121 27.394 -7.516 0.241 1.00 0.00 H new ATOM 0 HG1 THR A 121 28.446 -5.911 1.558 1.00 0.00 H new ATOM 0 HG21 THR A 121 28.079 -5.358 -0.765 1.00 0.00 H new ATOM 0 HG22 THR A 121 26.562 -5.946 -1.485 1.00 0.00 H new ATOM 0 HG23 THR A 121 26.526 -4.638 -0.279 1.00 0.00 H new ATOM 1554 N LEU A 122 25.376 -9.300 0.974 1.00 0.00 N ATOM 1555 CA LEU A 122 25.250 -10.587 1.716 1.00 0.00 C ATOM 1556 C LEU A 122 26.265 -10.619 2.868 1.00 0.00 C ATOM 1557 O LEU A 122 26.048 -11.262 3.875 1.00 0.00 O ATOM 1558 CB LEU A 122 25.495 -11.770 0.764 1.00 0.00 C ATOM 1559 CG LEU A 122 25.113 -13.096 1.448 1.00 0.00 C ATOM 1560 CD1 LEU A 122 23.588 -13.181 1.658 1.00 0.00 C ATOM 1561 CD2 LEU A 122 25.568 -14.263 0.565 1.00 0.00 C ATOM 0 H LEU A 122 25.530 -9.387 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 122 24.243 -10.669 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.909 -11.641 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 122 26.543 -11.795 0.467 1.00 0.00 H new ATOM 0 HG LEU A 122 25.602 -13.145 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.340 -14.125 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.261 -12.353 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.084 -13.125 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 122 25.301 -15.206 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 122 25.078 -14.197 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 122 26.649 -14.218 0.430 1.00 0.00 H new ATOM 1573 N SER A 123 27.368 -9.924 2.738 1.00 0.00 N ATOM 1574 CA SER A 123 28.374 -9.916 3.836 1.00 0.00 C ATOM 1575 C SER A 123 27.728 -9.365 5.108 1.00 0.00 C ATOM 1576 O SER A 123 27.856 -9.931 6.175 1.00 0.00 O ATOM 1577 CB SER A 123 29.557 -9.030 3.438 1.00 0.00 C ATOM 1578 OG SER A 123 30.249 -8.614 4.606 1.00 0.00 O ATOM 0 H SER A 123 27.612 -9.365 1.921 1.00 0.00 H new ATOM 0 HA SER A 123 28.727 -10.931 4.016 1.00 0.00 H new ATOM 0 HB2 SER A 123 30.230 -9.578 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 123 29.204 -8.161 2.882 1.00 0.00 H new ATOM 0 HG SER A 123 31.008 -8.048 4.353 1.00 0.00 H new ATOM 1584 N ASP A 124 27.027 -8.268 5.008 1.00 0.00 N ATOM 1585 CA ASP A 124 26.372 -7.698 6.218 1.00 0.00 C ATOM 1586 C ASP A 124 25.470 -8.774 6.838 1.00 0.00 C ATOM 1587 O ASP A 124 25.357 -8.894 8.048 1.00 0.00 O ATOM 1588 CB ASP A 124 25.537 -6.463 5.819 1.00 0.00 C ATOM 1589 CG ASP A 124 25.437 -5.493 7.002 1.00 0.00 C ATOM 1590 OD1 ASP A 124 26.475 -5.092 7.503 1.00 0.00 O ATOM 1591 OD2 ASP A 124 24.325 -5.168 7.383 1.00 0.00 O ATOM 0 H ASP A 124 26.880 -7.745 4.145 1.00 0.00 H new ATOM 0 HA ASP A 124 27.123 -7.389 6.945 1.00 0.00 H new ATOM 0 HB2 ASP A 124 25.996 -5.963 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 124 24.540 -6.773 5.507 1.00 0.00 H new ATOM 1596 N LEU A 125 24.825 -9.567 6.019 1.00 0.00 N ATOM 1597 CA LEU A 125 23.936 -10.621 6.579 1.00 0.00 C ATOM 1598 C LEU A 125 24.786 -11.678 7.300 1.00 0.00 C ATOM 1599 O LEU A 125 24.362 -12.250 8.280 1.00 0.00 O ATOM 1600 CB LEU A 125 23.088 -11.256 5.448 1.00 0.00 C ATOM 1601 CG LEU A 125 21.665 -11.568 5.951 1.00 0.00 C ATOM 1602 CD1 LEU A 125 20.893 -10.264 6.261 1.00 0.00 C ATOM 1603 CD2 LEU A 125 20.925 -12.367 4.877 1.00 0.00 C ATOM 0 H LEU A 125 24.876 -9.529 5.001 1.00 0.00 H new ATOM 0 HA LEU A 125 23.251 -10.179 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 125 23.039 -10.576 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 125 23.565 -12.171 5.098 1.00 0.00 H new ATOM 0 HG LEU A 125 21.731 -12.149 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 125 19.891 -10.509 6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 125 21.422 -9.702 7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 125 20.821 -9.660 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 125 19.916 -12.594 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 125 20.871 -11.781 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 125 21.459 -13.297 4.683 1.00 0.00 H new ATOM 1615 N ARG A 126 25.986 -11.931 6.844 1.00 0.00 N ATOM 1616 CA ARG A 126 26.843 -12.936 7.541 1.00 0.00 C ATOM 1617 C ARG A 126 27.148 -12.423 8.956 1.00 0.00 C ATOM 1618 O ARG A 126 27.228 -13.188 9.897 1.00 0.00 O ATOM 1619 CB ARG A 126 28.143 -13.136 6.736 1.00 0.00 C ATOM 1620 CG ARG A 126 29.275 -13.658 7.634 1.00 0.00 C ATOM 1621 CD ARG A 126 30.407 -14.212 6.766 1.00 0.00 C ATOM 1622 NE ARG A 126 31.640 -14.354 7.590 1.00 0.00 N ATOM 1623 CZ ARG A 126 32.629 -15.092 7.163 1.00 0.00 C ATOM 1624 NH1 ARG A 126 32.536 -15.707 6.016 1.00 0.00 N ATOM 1625 NH2 ARG A 126 33.709 -15.216 7.885 1.00 0.00 N ATOM 0 H ARG A 126 26.407 -11.489 6.026 1.00 0.00 H new ATOM 0 HA ARG A 126 26.331 -13.896 7.615 1.00 0.00 H new ATOM 0 HB2 ARG A 126 27.966 -13.840 5.923 1.00 0.00 H new ATOM 0 HB3 ARG A 126 28.442 -12.192 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 126 29.650 -12.854 8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 126 28.897 -14.437 8.297 1.00 0.00 H new ATOM 0 HD2 ARG A 126 30.121 -15.178 6.350 1.00 0.00 H new ATOM 0 HD3 ARG A 126 30.594 -13.545 5.924 1.00 0.00 H new ATOM 0 HE ARG A 126 31.712 -13.875 8.488 1.00 0.00 H new ATOM 0 HH11 ARG A 126 31.691 -15.611 5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 126 33.308 -16.283 5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 126 33.780 -14.737 8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 126 34.482 -15.792 7.552 1.00 0.00 H new ATOM 1639 N VAL A 127 27.306 -11.137 9.117 1.00 0.00 N ATOM 1640 CA VAL A 127 27.589 -10.592 10.470 1.00 0.00 C ATOM 1641 C VAL A 127 26.442 -10.981 11.405 1.00 0.00 C ATOM 1642 O VAL A 127 26.646 -11.255 12.571 1.00 0.00 O ATOM 1643 CB VAL A 127 27.699 -9.068 10.400 1.00 0.00 C ATOM 1644 CG1 VAL A 127 27.980 -8.516 11.798 1.00 0.00 C ATOM 1645 CG2 VAL A 127 28.849 -8.683 9.469 1.00 0.00 C ATOM 0 H VAL A 127 27.251 -10.444 8.371 1.00 0.00 H new ATOM 0 HA VAL A 127 28.529 -10.998 10.844 1.00 0.00 H new ATOM 0 HB VAL A 127 26.765 -8.653 10.020 1.00 0.00 H new ATOM 0 HG11 VAL A 127 28.059 -7.430 11.751 1.00 0.00 H new ATOM 0 HG12 VAL A 127 27.166 -8.792 12.469 1.00 0.00 H new ATOM 0 HG13 VAL A 127 28.915 -8.932 12.172 1.00 0.00 H new ATOM 0 HG21 VAL A 127 28.928 -7.597 9.418 1.00 0.00 H new ATOM 0 HG22 VAL A 127 29.782 -9.097 9.852 1.00 0.00 H new ATOM 0 HG23 VAL A 127 28.658 -9.080 8.472 1.00 0.00 H new ATOM 1655 N TYR A 128 25.230 -11.005 10.903 1.00 0.00 N ATOM 1656 CA TYR A 128 24.068 -11.375 11.776 1.00 0.00 C ATOM 1657 C TYR A 128 23.821 -12.888 11.738 1.00 0.00 C ATOM 1658 O TYR A 128 23.622 -13.518 12.758 1.00 0.00 O ATOM 1659 CB TYR A 128 22.795 -10.684 11.279 1.00 0.00 C ATOM 1660 CG TYR A 128 22.925 -9.184 11.386 1.00 0.00 C ATOM 1661 CD1 TYR A 128 22.736 -8.548 12.619 1.00 0.00 C ATOM 1662 CD2 TYR A 128 23.216 -8.428 10.247 1.00 0.00 C ATOM 1663 CE1 TYR A 128 22.841 -7.155 12.711 1.00 0.00 C ATOM 1664 CE2 TYR A 128 23.322 -7.036 10.337 1.00 0.00 C ATOM 1665 CZ TYR A 128 23.135 -6.399 11.570 1.00 0.00 C ATOM 1666 OH TYR A 128 23.238 -5.026 11.659 1.00 0.00 O ATOM 0 H TYR A 128 24.995 -10.786 9.935 1.00 0.00 H new ATOM 0 HA TYR A 128 24.305 -11.060 12.792 1.00 0.00 H new ATOM 0 HB2 TYR A 128 22.604 -10.964 10.243 1.00 0.00 H new ATOM 0 HB3 TYR A 128 21.940 -11.022 11.864 1.00 0.00 H new ATOM 0 HD1 TYR A 128 22.509 -9.132 13.499 1.00 0.00 H new ATOM 0 HD2 TYR A 128 23.359 -8.919 9.296 1.00 0.00 H new ATOM 0 HE1 TYR A 128 22.695 -6.664 13.662 1.00 0.00 H new ATOM 0 HE2 TYR A 128 23.548 -6.453 9.456 1.00 0.00 H new ATOM 0 HH TYR A 128 23.448 -4.656 10.776 1.00 0.00 H new ATOM 1676 N LEU A 129 23.795 -13.464 10.563 1.00 0.00 N ATOM 1677 CA LEU A 129 23.518 -14.924 10.420 1.00 0.00 C ATOM 1678 C LEU A 129 24.717 -15.631 9.795 1.00 0.00 C ATOM 1679 O LEU A 129 24.565 -16.427 8.893 1.00 0.00 O ATOM 1680 CB LEU A 129 22.335 -15.098 9.477 1.00 0.00 C ATOM 1681 CG LEU A 129 21.086 -14.386 10.016 1.00 0.00 C ATOM 1682 CD1 LEU A 129 19.906 -14.688 9.081 1.00 0.00 C ATOM 1683 CD2 LEU A 129 20.760 -14.868 11.441 1.00 0.00 C ATOM 0 H LEU A 129 23.957 -12.975 9.683 1.00 0.00 H new ATOM 0 HA LEU A 129 23.313 -15.346 11.404 1.00 0.00 H new ATOM 0 HB2 LEU A 129 22.588 -14.700 8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 129 22.124 -16.159 9.346 1.00 0.00 H new ATOM 0 HG LEU A 129 21.270 -13.312 10.054 1.00 0.00 H new ATOM 0 HD11 LEU A 129 19.011 -14.188 9.452 1.00 0.00 H new ATOM 0 HD12 LEU A 129 20.134 -14.327 8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 129 19.734 -15.764 9.048 1.00 0.00 H new ATOM 0 HD21 LEU A 129 19.872 -14.352 11.805 1.00 0.00 H new ATOM 0 HD22 LEU A 129 20.576 -15.942 11.429 1.00 0.00 H new ATOM 0 HD23 LEU A 129 21.601 -14.652 12.100 1.00 0.00 H new ATOM 1695 N GLY A 130 25.898 -15.353 10.250 1.00 0.00 N ATOM 1696 CA GLY A 130 27.093 -16.021 9.664 1.00 0.00 C ATOM 1697 C GLY A 130 27.054 -17.530 9.953 1.00 0.00 C ATOM 1698 O GLY A 130 28.071 -18.143 10.207 1.00 0.00 O ATOM 0 H GLY A 130 26.093 -14.693 11.002 1.00 0.00 H new ATOM 0 HA2 GLY A 130 27.123 -15.850 8.588 1.00 0.00 H new ATOM 0 HA3 GLY A 130 28.002 -15.587 10.081 1.00 0.00 H new ATOM 1702 N ALA A 131 25.893 -18.139 9.911 1.00 0.00 N ATOM 1703 CA ALA A 131 25.806 -19.604 10.178 1.00 0.00 C ATOM 1704 C ALA A 131 24.562 -20.173 9.486 1.00 0.00 C ATOM 1705 O ALA A 131 24.644 -21.116 8.724 1.00 0.00 O ATOM 1706 CB ALA A 131 25.717 -19.846 11.688 1.00 0.00 C ATOM 0 H ALA A 131 25.005 -17.683 9.703 1.00 0.00 H new ATOM 0 HA ALA A 131 26.695 -20.100 9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 131 25.653 -20.917 11.882 1.00 0.00 H new ATOM 0 HB2 ALA A 131 26.605 -19.441 12.174 1.00 0.00 H new ATOM 0 HB3 ALA A 131 24.829 -19.352 12.084 1.00 0.00 H new ATOM 1712 N SER A 132 23.409 -19.605 9.741 1.00 0.00 N ATOM 1713 CA SER A 132 22.155 -20.108 9.096 1.00 0.00 C ATOM 1714 C SER A 132 21.810 -19.221 7.897 1.00 0.00 C ATOM 1715 O SER A 132 20.657 -18.955 7.621 1.00 0.00 O ATOM 1716 CB SER A 132 21.010 -20.057 10.110 1.00 0.00 C ATOM 1717 OG SER A 132 19.912 -20.813 9.622 1.00 0.00 O ATOM 0 H SER A 132 23.281 -18.812 10.370 1.00 0.00 H new ATOM 0 HA SER A 132 22.302 -21.135 8.760 1.00 0.00 H new ATOM 0 HB2 SER A 132 21.341 -20.455 11.069 1.00 0.00 H new ATOM 0 HB3 SER A 132 20.707 -19.024 10.281 1.00 0.00 H new ATOM 0 HG SER A 132 19.630 -20.457 8.754 1.00 0.00 H new ATOM 1723 N THR A 133 22.801 -18.754 7.189 1.00 0.00 N ATOM 1724 CA THR A 133 22.535 -17.875 6.014 1.00 0.00 C ATOM 1725 C THR A 133 22.089 -18.746 4.810 1.00 0.00 C ATOM 1726 O THR A 133 22.826 -19.615 4.386 1.00 0.00 O ATOM 1727 CB THR A 133 23.844 -17.121 5.658 1.00 0.00 C ATOM 1728 OG1 THR A 133 24.770 -17.274 6.722 1.00 0.00 O ATOM 1729 CG2 THR A 133 23.570 -15.627 5.441 1.00 0.00 C ATOM 0 H THR A 133 23.786 -18.943 7.373 1.00 0.00 H new ATOM 0 HA THR A 133 21.746 -17.160 6.248 1.00 0.00 H new ATOM 0 HB THR A 133 24.250 -17.539 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 133 24.551 -16.643 7.439 1.00 0.00 H new ATOM 0 HG21 THR A 133 24.502 -15.119 5.193 1.00 0.00 H new ATOM 0 HG22 THR A 133 22.860 -15.502 4.624 1.00 0.00 H new ATOM 0 HG23 THR A 133 23.154 -15.197 6.352 1.00 0.00 H new ATOM 1737 N PRO A 134 20.917 -18.523 4.245 1.00 0.00 N ATOM 1738 CA PRO A 134 20.440 -19.313 3.070 1.00 0.00 C ATOM 1739 C PRO A 134 21.083 -18.838 1.763 1.00 0.00 C ATOM 1740 O PRO A 134 21.954 -17.990 1.761 1.00 0.00 O ATOM 1741 CB PRO A 134 18.934 -19.043 3.057 1.00 0.00 C ATOM 1742 CG PRO A 134 18.808 -17.658 3.593 1.00 0.00 C ATOM 1743 CD PRO A 134 19.915 -17.513 4.644 1.00 0.00 C ATOM 0 HA PRO A 134 20.695 -20.370 3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 134 18.524 -19.119 2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 134 18.395 -19.760 3.676 1.00 0.00 H new ATOM 0 HG2 PRO A 134 18.924 -16.920 2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 134 17.825 -17.498 4.036 1.00 0.00 H new ATOM 0 HD2 PRO A 134 20.338 -16.508 4.643 1.00 0.00 H new ATOM 0 HD3 PRO A 134 19.538 -17.699 5.650 1.00 0.00 H new ATOM 1751 N ASP A 135 20.648 -19.378 0.655 1.00 0.00 N ATOM 1752 CA ASP A 135 21.208 -18.974 -0.671 1.00 0.00 C ATOM 1753 C ASP A 135 20.146 -18.185 -1.437 1.00 0.00 C ATOM 1754 O ASP A 135 19.283 -18.744 -2.084 1.00 0.00 O ATOM 1755 CB ASP A 135 21.574 -20.227 -1.462 1.00 0.00 C ATOM 1756 CG ASP A 135 22.482 -19.849 -2.635 1.00 0.00 C ATOM 1757 OD1 ASP A 135 22.567 -18.670 -2.937 1.00 0.00 O ATOM 1758 OD2 ASP A 135 23.078 -20.745 -3.210 1.00 0.00 O ATOM 0 H ASP A 135 19.920 -20.091 0.611 1.00 0.00 H new ATOM 0 HA ASP A 135 22.096 -18.358 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 135 22.080 -20.943 -0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 135 20.671 -20.713 -1.831 1.00 0.00 H new ATOM 1763 N LEU A 136 20.200 -16.893 -1.354 1.00 0.00 N ATOM 1764 CA LEU A 136 19.196 -16.045 -2.059 1.00 0.00 C ATOM 1765 C LEU A 136 19.280 -16.247 -3.576 1.00 0.00 C ATOM 1766 O LEU A 136 20.345 -16.394 -4.142 1.00 0.00 O ATOM 1767 CB LEU A 136 19.463 -14.574 -1.736 1.00 0.00 C ATOM 1768 CG LEU A 136 19.288 -14.326 -0.232 1.00 0.00 C ATOM 1769 CD1 LEU A 136 19.706 -12.886 0.092 1.00 0.00 C ATOM 1770 CD2 LEU A 136 17.819 -14.544 0.173 1.00 0.00 C ATOM 0 H LEU A 136 20.902 -16.377 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 136 18.200 -16.333 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 136 20.474 -14.304 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 136 18.779 -13.940 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 136 19.912 -15.025 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 136 19.584 -12.703 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 136 20.750 -12.739 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 136 19.081 -12.191 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 136 17.706 -14.365 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 136 17.183 -13.853 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 136 17.526 -15.569 -0.057 1.00 0.00 H new ATOM 1782 N GLN A 137 18.145 -16.238 -4.232 1.00 0.00 N ATOM 1783 CA GLN A 137 18.098 -16.412 -5.718 1.00 0.00 C ATOM 1784 C GLN A 137 17.242 -15.298 -6.329 1.00 0.00 C ATOM 1785 O GLN A 137 17.712 -14.173 -6.370 1.00 0.00 O ATOM 1786 CB GLN A 137 17.472 -17.770 -6.053 1.00 0.00 C ATOM 1787 CG GLN A 137 18.110 -18.863 -5.194 1.00 0.00 C ATOM 1788 CD GLN A 137 19.635 -18.790 -5.316 1.00 0.00 C ATOM 1789 OE1 GLN A 137 20.370 -18.814 -4.238 1.00 0.00 O flip ATOM 1790 NE2 GLN A 137 20.164 -18.710 -6.407 1.00 0.00 N flip ATOM 1791 OXT GLN A 137 16.133 -15.588 -6.746 1.00 0.00 O ATOM 0 H GLN A 137 17.233 -16.115 -3.792 1.00 0.00 H new ATOM 0 HA GLN A 137 19.109 -16.366 -6.123 1.00 0.00 H new ATOM 0 HB2 GLN A 137 16.397 -17.738 -5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 137 17.615 -17.996 -7.110 1.00 0.00 H new ATOM 0 HG2 GLN A 137 17.812 -18.741 -4.153 1.00 0.00 H new ATOM 0 HG3 GLN A 137 17.756 -19.843 -5.514 1.00 0.00 H new ATOM 0 HE21 GLN A 137 19.592 -18.691 -7.251 1.00 0.00 H new ATOM 0 HE22 GLN A 137 21.180 -18.662 -6.479 1.00 0.00 H new TER 1800 GLN A 137 HETATM 1801 MG MG A 2 17.872 -1.386 23.073 1.00 0.00 MG HETATM 1802 PG ATP A 1 11.900 -3.140 18.655 1.00 0.00 P HETATM 1803 O1G ATP A 1 11.419 -4.490 19.104 1.00 0.00 O HETATM 1804 O2G ATP A 1 10.802 -2.273 18.130 1.00 0.00 O HETATM 1805 O3G ATP A 1 13.212 -3.187 17.937 1.00 0.00 O HETATM 1806 PB ATP A 1 13.140 -1.231 21.259 1.00 0.00 P HETATM 1807 O1B ATP A 1 12.296 -1.012 22.473 1.00 0.00 O HETATM 1808 O2B ATP A 1 14.476 -1.797 21.614 1.00 0.00 O HETATM 1809 O3B ATP A 1 12.313 -2.387 20.299 1.00 0.00 O HETATM 1810 PA ATP A 1 13.011 1.283 19.265 1.00 0.00 P HETATM 1811 O1A ATP A 1 13.489 0.694 18.005 1.00 0.00 O HETATM 1812 O2A ATP A 1 13.517 2.641 19.542 1.00 0.00 O HETATM 1813 O3A ATP A 1 13.455 0.319 20.588 1.00 0.00 O HETATM 1814 O5' ATP A 1 11.335 1.393 19.112 1.00 0.00 O HETATM 1815 C5' ATP A 1 10.512 2.058 20.062 1.00 0.00 C HETATM 1816 C4' ATP A 1 10.663 3.600 20.028 1.00 0.00 C HETATM 1817 O4' ATP A 1 9.374 4.193 20.115 1.00 0.00 O HETATM 1818 C3' ATP A 1 11.499 4.221 21.178 1.00 0.00 C HETATM 1819 O3' ATP A 1 12.707 4.780 20.665 1.00 0.00 O HETATM 1820 C2' ATP A 1 10.619 5.310 21.797 1.00 0.00 C HETATM 1821 O2' ATP A 1 11.400 6.489 21.899 1.00 0.00 O HETATM 1822 C1' ATP A 1 9.459 5.437 20.796 1.00 0.00 C HETATM 1823 N9 ATP A 1 8.144 5.742 21.416 1.00 0.00 N HETATM 1824 C8 ATP A 1 7.298 6.803 21.168 1.00 0.00 C HETATM 1825 N7 ATP A 1 6.154 6.760 21.806 1.00 0.00 N HETATM 1826 C5 ATP A 1 6.245 5.612 22.585 1.00 0.00 C HETATM 1827 C6 ATP A 1 5.402 4.960 23.523 1.00 0.00 C HETATM 1828 N6 ATP A 1 4.167 5.359 23.833 1.00 0.00 N HETATM 1829 N1 ATP A 1 5.869 3.872 24.168 1.00 0.00 N HETATM 1830 C2 ATP A 1 7.088 3.407 23.885 1.00 0.00 C HETATM 1831 N3 ATP A 1 7.965 3.867 22.994 1.00 0.00 N HETATM 1832 C4 ATP A 1 7.504 4.987 22.370 1.00 0.00 C HETATM 0 HO3' ATP A 1 13.225 4.081 20.213 1.00 0.00 H new HETATM 0 HO2' ATP A 1 12.132 6.454 21.248 1.00 0.00 H new HETATM 0 HN62 ATP A 1 3.620 4.838 24.518 1.00 0.00 H new HETATM 0 HN61 ATP A 1 3.770 6.185 23.384 1.00 0.00 H new HETATM 0 H5'2 ATP A 1 9.470 1.797 19.876 1.00 0.00 H new HETATM 0 H5'1 ATP A 1 10.757 1.697 21.061 1.00 0.00 H new HETATM 0 H8 ATP A 1 7.561 7.616 20.492 1.00 0.00 H new HETATM 0 H4' ATP A 1 11.190 3.801 19.095 1.00 0.00 H new HETATM 0 H3' ATP A 1 11.783 3.473 21.919 1.00 0.00 H new HETATM 0 H2' ATP A 1 10.241 5.104 22.798 1.00 0.00 H new HETATM 0 H2 ATP A 1 7.408 2.537 24.458 1.00 0.00 H new HETATM 0 H1' ATP A 1 9.672 6.279 20.137 1.00 0.00 H new