USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 540 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 30 TYR OH : rot 131:sc= 0.366 USER MOD Set 1.3: A 62 HIS : no HD1:sc= -0.81 K(o=-0.44,f=-4.7) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 20 MET CE :methyl -109:sc= -0.382 (180deg=-3.15!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.182 K(o=-0.18,f=-2.2) USER MOD Single : A 29 GLN : amide:sc= 0.0641 X(o=0.064,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.507 K(o=-0.51,f=-1.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 30:sc= 0.49 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 49 HIS : no HD1:sc= -0.535 K(o=-0.53,f=-0.00086) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.68 K(o=-0.68,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.964 -0.536 -10.372 1.00 0.00 N ATOM 60 CA GLY A 7 -6.521 -1.291 -11.529 1.00 0.00 C ATOM 61 C GLY A 7 -7.071 -0.737 -12.829 1.00 0.00 C ATOM 62 O GLY A 7 -6.348 -0.622 -13.818 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.432 -1.285 -11.567 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.831 -2.330 -11.421 1.00 0.00 H new ATOM 66 N VAL A 8 -8.355 -0.395 -12.828 1.00 0.00 N ATOM 67 CA VAL A 8 -9.002 0.149 -14.016 1.00 0.00 C ATOM 68 C VAL A 8 -8.330 1.442 -14.464 1.00 0.00 C ATOM 69 O VAL A 8 -8.389 1.810 -15.637 1.00 0.00 O ATOM 70 CB VAL A 8 -10.497 0.421 -13.766 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.174 0.897 -15.042 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.181 -0.824 -13.223 1.00 0.00 C ATOM 0 H VAL A 8 -8.968 -0.485 -12.018 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.903 -0.600 -14.802 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.585 1.211 -13.020 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.230 1.084 -14.846 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.700 1.817 -15.384 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.078 0.132 -15.812 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.237 -0.614 -13.052 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.085 -1.636 -13.944 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.712 -1.116 -12.283 1.00 0.00 H new ATOM 82 N SER A 9 -7.690 2.127 -13.522 1.00 0.00 N ATOM 83 CA SER A 9 -7.008 3.382 -13.819 1.00 0.00 C ATOM 84 C SER A 9 -5.749 3.134 -14.644 1.00 0.00 C ATOM 85 O SER A 9 -5.306 4.000 -15.399 1.00 0.00 O ATOM 86 CB SER A 9 -6.648 4.110 -12.523 1.00 0.00 C ATOM 87 OG SER A 9 -5.891 3.276 -11.663 1.00 0.00 O ATOM 0 H SER A 9 -7.629 1.835 -12.547 1.00 0.00 H new ATOM 0 HA SER A 9 -7.685 4.006 -14.402 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.080 5.011 -12.754 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.559 4.429 -12.016 1.00 0.00 H new ATOM 0 HG SER A 9 -5.672 3.765 -10.842 1.00 0.00 H new ATOM 93 N LYS A 10 -5.176 1.944 -14.494 1.00 0.00 N ATOM 94 CA LYS A 10 -3.968 1.579 -15.224 1.00 0.00 C ATOM 95 C LYS A 10 -4.277 0.547 -16.304 1.00 0.00 C ATOM 96 O LYS A 10 -3.396 -0.201 -16.731 1.00 0.00 O ATOM 97 CB LYS A 10 -2.913 1.027 -14.263 1.00 0.00 C ATOM 98 CG LYS A 10 -2.564 1.979 -13.132 1.00 0.00 C ATOM 99 CD LYS A 10 -1.105 2.400 -13.188 1.00 0.00 C ATOM 100 CE LYS A 10 -0.186 1.292 -12.695 1.00 0.00 C ATOM 101 NZ LYS A 10 0.679 1.748 -11.571 1.00 0.00 N ATOM 0 H LYS A 10 -5.529 1.216 -13.873 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.578 2.477 -15.704 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.274 0.090 -13.840 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.008 0.795 -14.824 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.201 2.862 -13.189 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.769 1.499 -12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.841 2.665 -14.212 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.959 3.293 -12.580 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.785 0.441 -12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.440 0.946 -13.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.290 0.965 -11.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.269 2.544 -11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.082 2.054 -10.776 1.00 0.00 H new ATOM 115 N TRP A 11 -5.530 0.512 -16.742 1.00 0.00 N ATOM 116 CA TRP A 11 -5.953 -0.428 -17.774 1.00 0.00 C ATOM 117 C TRP A 11 -5.419 -0.013 -19.140 1.00 0.00 C ATOM 118 O TRP A 11 -5.497 1.156 -19.519 1.00 0.00 O ATOM 119 CB TRP A 11 -7.479 -0.518 -17.815 1.00 0.00 C ATOM 120 CG TRP A 11 -8.024 -1.713 -17.093 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.449 -2.366 -16.040 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.250 -2.397 -17.371 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.244 -3.415 -15.647 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.355 -3.456 -16.448 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.270 -2.218 -18.310 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.439 -4.330 -16.438 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.345 -3.087 -18.299 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.423 -4.131 -17.368 1.00 0.00 C ATOM 0 H TRP A 11 -6.271 1.123 -16.399 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.544 -1.408 -17.528 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.901 0.386 -17.376 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.806 -0.550 -18.854 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.508 -2.097 -15.584 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.040 -4.059 -14.883 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.219 -1.415 -19.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.501 -5.136 -15.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.138 -2.959 -19.020 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.277 -4.792 -17.385 1.00 0.00 H new ATOM 139 N SER A 12 -4.876 -0.978 -19.876 1.00 0.00 N ATOM 140 CA SER A 12 -4.325 -0.711 -21.200 1.00 0.00 C ATOM 141 C SER A 12 -5.420 -0.263 -22.164 1.00 0.00 C ATOM 142 O SER A 12 -6.610 -0.485 -21.938 1.00 0.00 O ATOM 143 CB SER A 12 -3.628 -1.959 -21.746 1.00 0.00 C ATOM 144 OG SER A 12 -2.224 -1.876 -21.572 1.00 0.00 O ATOM 0 H SER A 12 -4.806 -1.951 -19.578 1.00 0.00 H new ATOM 0 HA SER A 12 -3.595 0.093 -21.108 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.009 -2.844 -21.237 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.860 -2.075 -22.805 1.00 0.00 H new ATOM 0 HG SER A 12 -1.802 -2.686 -21.927 1.00 0.00 H new ATOM 150 N PRO A 13 -5.010 0.383 -23.265 1.00 0.00 N ATOM 151 CA PRO A 13 -5.939 0.876 -24.286 1.00 0.00 C ATOM 152 C PRO A 13 -6.588 -0.257 -25.074 1.00 0.00 C ATOM 153 O PRO A 13 -7.627 -0.069 -25.707 1.00 0.00 O ATOM 154 CB PRO A 13 -5.046 1.720 -25.200 1.00 0.00 C ATOM 155 CG PRO A 13 -3.680 1.152 -25.025 1.00 0.00 C ATOM 156 CD PRO A 13 -3.607 0.682 -23.598 1.00 0.00 C ATOM 0 HA PRO A 13 -6.769 1.430 -23.848 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.371 1.657 -26.239 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.076 2.773 -24.920 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.509 0.327 -25.717 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.916 1.903 -25.228 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.973 -0.199 -23.497 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.193 1.449 -22.943 1.00 0.00 H new ATOM 164 N SER A 14 -5.969 -1.432 -25.031 1.00 0.00 N ATOM 165 CA SER A 14 -6.486 -2.595 -25.744 1.00 0.00 C ATOM 166 C SER A 14 -7.366 -3.444 -24.832 1.00 0.00 C ATOM 167 O SER A 14 -8.251 -4.160 -25.299 1.00 0.00 O ATOM 168 CB SER A 14 -5.332 -3.439 -26.288 1.00 0.00 C ATOM 169 OG SER A 14 -5.666 -4.817 -26.292 1.00 0.00 O ATOM 0 H SER A 14 -5.109 -1.604 -24.510 1.00 0.00 H new ATOM 0 HA SER A 14 -7.092 -2.240 -26.577 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.088 -3.118 -27.301 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.442 -3.279 -25.680 1.00 0.00 H new ATOM 0 HG SER A 14 -4.913 -5.335 -26.646 1.00 0.00 H new ATOM 175 N GLN A 15 -7.116 -3.357 -23.530 1.00 0.00 N ATOM 176 CA GLN A 15 -7.885 -4.118 -22.552 1.00 0.00 C ATOM 177 C GLN A 15 -9.342 -3.668 -22.537 1.00 0.00 C ATOM 178 O GLN A 15 -10.257 -4.491 -22.538 1.00 0.00 O ATOM 179 CB GLN A 15 -7.276 -3.960 -21.158 1.00 0.00 C ATOM 180 CG GLN A 15 -6.032 -4.807 -20.939 1.00 0.00 C ATOM 181 CD GLN A 15 -5.535 -4.754 -19.507 1.00 0.00 C ATOM 182 OE1 GLN A 15 -6.155 -4.130 -18.646 1.00 0.00 O ATOM 183 NE2 GLN A 15 -4.411 -5.411 -19.246 1.00 0.00 N ATOM 0 H GLN A 15 -6.387 -2.768 -23.128 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.851 -5.169 -22.838 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.025 -2.912 -20.997 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.024 -4.227 -20.411 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.249 -5.841 -21.206 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.242 -4.465 -21.607 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.930 -5.915 -19.991 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.028 -5.412 -18.300 1.00 0.00 H new ATOM 192 N VAL A 16 -9.551 -2.355 -22.522 1.00 0.00 N ATOM 193 CA VAL A 16 -10.897 -1.795 -22.507 1.00 0.00 C ATOM 194 C VAL A 16 -11.737 -2.351 -23.651 1.00 0.00 C ATOM 195 O VAL A 16 -12.950 -2.516 -23.523 1.00 0.00 O ATOM 196 CB VAL A 16 -10.867 -0.258 -22.606 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.280 0.304 -22.621 1.00 0.00 C ATOM 198 CG2 VAL A 16 -10.060 0.334 -21.460 1.00 0.00 C ATOM 0 H VAL A 16 -8.805 -1.659 -22.520 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.348 -2.082 -21.557 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.382 0.019 -23.542 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.239 1.391 -22.691 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.821 -0.095 -23.479 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.795 0.019 -21.703 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.049 1.421 -21.546 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.513 0.049 -20.511 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.038 -0.043 -21.502 1.00 0.00 H new ATOM 208 N VAL A 17 -11.082 -2.640 -24.772 1.00 0.00 N ATOM 209 CA VAL A 17 -11.768 -3.179 -25.940 1.00 0.00 C ATOM 210 C VAL A 17 -12.327 -4.569 -25.656 1.00 0.00 C ATOM 211 O VAL A 17 -13.376 -4.946 -26.179 1.00 0.00 O ATOM 212 CB VAL A 17 -10.827 -3.256 -27.157 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.602 -3.641 -28.408 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.103 -1.933 -27.355 1.00 0.00 C ATOM 0 H VAL A 17 -10.078 -2.510 -24.895 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.589 -2.499 -26.167 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.081 -4.028 -26.969 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.921 -3.690 -29.257 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.070 -4.614 -28.261 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.372 -2.894 -28.603 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.442 -2.005 -28.219 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.832 -1.140 -27.521 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.514 -1.704 -26.467 1.00 0.00 H new ATOM 224 N ASP A 18 -11.621 -5.326 -24.823 1.00 0.00 N ATOM 225 CA ASP A 18 -12.048 -6.674 -24.467 1.00 0.00 C ATOM 226 C ASP A 18 -13.245 -6.633 -23.523 1.00 0.00 C ATOM 227 O ASP A 18 -14.039 -7.573 -23.472 1.00 0.00 O ATOM 228 CB ASP A 18 -10.896 -7.441 -23.817 1.00 0.00 C ATOM 229 CG ASP A 18 -11.031 -8.942 -23.987 1.00 0.00 C ATOM 230 OD1 ASP A 18 -11.997 -9.517 -23.443 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.171 -9.541 -24.666 1.00 0.00 O ATOM 0 H ASP A 18 -10.751 -5.029 -24.382 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.347 -7.188 -25.381 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.953 -7.112 -24.253 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.857 -7.201 -22.755 1.00 0.00 H new ATOM 236 N TRP A 19 -13.368 -5.541 -22.778 1.00 0.00 N ATOM 237 CA TRP A 19 -14.468 -5.379 -21.834 1.00 0.00 C ATOM 238 C TRP A 19 -15.787 -5.166 -22.568 1.00 0.00 C ATOM 239 O TRP A 19 -16.809 -5.749 -22.208 1.00 0.00 O ATOM 240 CB TRP A 19 -14.195 -4.201 -20.898 1.00 0.00 C ATOM 241 CG TRP A 19 -15.320 -3.923 -19.948 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.828 -4.774 -19.009 1.00 0.00 C ATOM 243 CD2 TRP A 19 -16.078 -2.713 -19.848 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.856 -4.166 -18.330 1.00 0.00 N ATOM 245 CE2 TRP A 19 -17.029 -2.900 -18.825 1.00 0.00 C ATOM 246 CE3 TRP A 19 -16.045 -1.488 -20.520 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.937 -1.909 -18.463 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.947 -0.506 -20.159 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.882 -0.720 -19.138 1.00 0.00 C ATOM 0 H TRP A 19 -12.720 -4.754 -22.809 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.545 -6.292 -21.244 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.289 -4.403 -20.327 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -14.004 -3.309 -21.495 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.474 -5.778 -18.827 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.402 -4.588 -17.579 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.327 -1.312 -21.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.659 -2.073 -17.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.931 0.444 -20.673 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.573 0.069 -18.879 1.00 0.00 H new ATOM 260 N MET A 20 -15.758 -4.326 -23.598 1.00 0.00 N ATOM 261 CA MET A 20 -16.952 -4.038 -24.383 1.00 0.00 C ATOM 262 C MET A 20 -17.489 -5.305 -25.042 1.00 0.00 C ATOM 263 O MET A 20 -18.672 -5.393 -25.372 1.00 0.00 O ATOM 264 CB MET A 20 -16.646 -2.985 -25.450 1.00 0.00 C ATOM 265 CG MET A 20 -15.955 -1.747 -24.901 1.00 0.00 C ATOM 266 SD MET A 20 -15.771 -0.448 -26.138 1.00 0.00 S ATOM 267 CE MET A 20 -17.486 -0.066 -26.485 1.00 0.00 C ATOM 0 H MET A 20 -14.920 -3.833 -23.908 1.00 0.00 H new ATOM 0 HA MET A 20 -17.715 -3.650 -23.708 1.00 0.00 H new ATOM 0 HB2 MET A 20 -16.016 -3.432 -26.219 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.577 -2.688 -25.933 1.00 0.00 H new ATOM 0 HG2 MET A 20 -16.526 -1.361 -24.057 1.00 0.00 H new ATOM 0 HG3 MET A 20 -14.972 -2.023 -24.521 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.745 -0.426 -27.481 1.00 0.00 H new ATOM 0 HE2 MET A 20 -18.124 -0.552 -25.746 1.00 0.00 H new ATOM 0 HE3 MET A 20 -17.635 1.013 -26.439 1.00 0.00 H new ATOM 277 N LYS A 21 -16.611 -6.285 -25.232 1.00 0.00 N ATOM 278 CA LYS A 21 -16.996 -7.547 -25.851 1.00 0.00 C ATOM 279 C LYS A 21 -17.986 -8.305 -24.972 1.00 0.00 C ATOM 280 O LYS A 21 -18.636 -9.248 -25.423 1.00 0.00 O ATOM 281 CB LYS A 21 -15.759 -8.412 -26.106 1.00 0.00 C ATOM 282 CG LYS A 21 -14.791 -7.808 -27.109 1.00 0.00 C ATOM 283 CD LYS A 21 -14.000 -8.881 -27.837 1.00 0.00 C ATOM 284 CE LYS A 21 -13.621 -8.438 -29.242 1.00 0.00 C ATOM 285 NZ LYS A 21 -13.577 -9.585 -30.192 1.00 0.00 N ATOM 0 H LYS A 21 -15.628 -6.229 -24.966 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.479 -7.323 -26.802 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.238 -8.573 -25.162 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.078 -9.390 -26.465 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.343 -7.208 -27.832 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.105 -7.135 -26.594 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.097 -9.115 -27.272 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.590 -9.796 -27.890 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.340 -7.700 -29.597 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.647 -7.948 -29.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.315 -9.242 -31.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.872 -10.278 -29.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.513 -10.037 -30.234 1.00 0.00 H new ATOM 299 N GLY A 22 -18.097 -7.885 -23.716 1.00 0.00 N ATOM 300 CA GLY A 22 -19.011 -8.534 -22.794 1.00 0.00 C ATOM 301 C GLY A 22 -20.100 -7.601 -22.304 1.00 0.00 C ATOM 302 O GLY A 22 -20.630 -7.776 -21.206 1.00 0.00 O ATOM 0 H GLY A 22 -17.570 -7.107 -23.320 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.467 -9.394 -23.284 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.451 -8.914 -21.940 1.00 0.00 H new ATOM 306 N LEU A 23 -20.434 -6.606 -23.117 1.00 0.00 N ATOM 307 CA LEU A 23 -21.467 -5.639 -22.760 1.00 0.00 C ATOM 308 C LEU A 23 -22.627 -5.691 -23.748 1.00 0.00 C ATOM 309 O LEU A 23 -22.705 -6.593 -24.583 1.00 0.00 O ATOM 310 CB LEU A 23 -20.879 -4.227 -22.720 1.00 0.00 C ATOM 311 CG LEU A 23 -19.604 -4.054 -21.894 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.186 -2.592 -21.858 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.806 -4.588 -20.483 1.00 0.00 C ATOM 0 H LEU A 23 -20.005 -6.447 -24.029 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.845 -5.897 -21.771 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.671 -3.913 -23.743 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.637 -3.550 -22.327 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.807 -4.627 -22.367 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.277 -2.488 -21.266 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -19.000 -2.242 -22.873 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.981 -1.997 -21.409 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.888 -4.457 -19.909 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.617 -4.043 -20.000 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.057 -5.648 -20.528 1.00 0.00 H new ATOM 325 N ASP A 24 -23.526 -4.718 -23.649 1.00 0.00 N ATOM 326 CA ASP A 24 -24.682 -4.651 -24.536 1.00 0.00 C ATOM 327 C ASP A 24 -24.251 -4.740 -25.997 1.00 0.00 C ATOM 328 O ASP A 24 -23.162 -4.296 -26.361 1.00 0.00 O ATOM 329 CB ASP A 24 -25.459 -3.356 -24.298 1.00 0.00 C ATOM 330 CG ASP A 24 -26.953 -3.590 -24.183 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.559 -4.051 -25.173 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.515 -3.313 -23.103 1.00 0.00 O ATOM 0 H ASP A 24 -23.477 -3.965 -22.963 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.329 -5.499 -24.315 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.097 -2.881 -23.386 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.265 -2.663 -25.117 1.00 0.00 H new ATOM 337 N ASP A 25 -25.112 -5.316 -26.828 1.00 0.00 N ATOM 338 CA ASP A 25 -24.821 -5.463 -28.249 1.00 0.00 C ATOM 339 C ASP A 25 -24.744 -4.101 -28.932 1.00 0.00 C ATOM 340 O ASP A 25 -24.074 -3.945 -29.954 1.00 0.00 O ATOM 341 CB ASP A 25 -25.889 -6.326 -28.924 1.00 0.00 C ATOM 342 CG ASP A 25 -25.570 -7.806 -28.847 1.00 0.00 C ATOM 343 OD1 ASP A 25 -25.454 -8.330 -27.720 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.435 -8.441 -29.915 1.00 0.00 O ATOM 0 H ASP A 25 -26.017 -5.689 -26.542 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.853 -5.954 -28.347 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.854 -6.140 -28.452 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -25.983 -6.031 -29.969 1.00 0.00 H new ATOM 349 N CYS A 26 -25.435 -3.120 -28.362 1.00 0.00 N ATOM 350 CA CYS A 26 -25.446 -1.771 -28.917 1.00 0.00 C ATOM 351 C CYS A 26 -24.093 -1.094 -28.729 1.00 0.00 C ATOM 352 O CYS A 26 -23.744 -0.165 -29.458 1.00 0.00 O ATOM 353 CB CYS A 26 -26.544 -0.935 -28.257 1.00 0.00 C ATOM 354 SG CYS A 26 -28.223 -1.424 -28.720 1.00 0.00 S ATOM 0 H CYS A 26 -25.994 -3.233 -27.517 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.648 -1.846 -29.985 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.441 -1.009 -27.174 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.396 0.112 -28.520 1.00 0.00 H new ATOM 0 HG CYS A 26 -29.081 -0.661 -28.110 1.00 0.00 H new ATOM 360 N LEU A 27 -23.334 -1.564 -27.745 1.00 0.00 N ATOM 361 CA LEU A 27 -22.018 -1.003 -27.459 1.00 0.00 C ATOM 362 C LEU A 27 -20.922 -1.799 -28.162 1.00 0.00 C ATOM 363 O LEU A 27 -19.760 -1.762 -27.759 1.00 0.00 O ATOM 364 CB LEU A 27 -21.765 -0.988 -25.950 1.00 0.00 C ATOM 365 CG LEU A 27 -22.939 -0.543 -25.078 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.613 -0.738 -23.605 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.293 0.910 -25.360 1.00 0.00 C ATOM 0 H LEU A 27 -23.607 -2.332 -27.132 1.00 0.00 H new ATOM 0 HA LEU A 27 -21.997 0.020 -27.835 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.468 -1.990 -25.641 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -20.920 -0.330 -25.750 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.803 -1.160 -25.323 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.460 -0.416 -22.999 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.410 -1.792 -23.414 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.735 -0.146 -23.345 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.131 1.209 -24.730 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.432 1.543 -25.144 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.570 1.020 -26.408 1.00 0.00 H new ATOM 379 N GLN A 28 -21.302 -2.516 -29.215 1.00 0.00 N ATOM 380 CA GLN A 28 -20.351 -3.319 -29.974 1.00 0.00 C ATOM 381 C GLN A 28 -19.777 -2.524 -31.142 1.00 0.00 C ATOM 382 O GLN A 28 -18.566 -2.516 -31.363 1.00 0.00 O ATOM 383 CB GLN A 28 -21.024 -4.592 -30.490 1.00 0.00 C ATOM 384 CG GLN A 28 -21.525 -5.507 -29.385 1.00 0.00 C ATOM 385 CD GLN A 28 -20.400 -6.077 -28.544 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.377 -6.516 -29.071 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.582 -6.073 -27.229 1.00 0.00 N ATOM 0 H GLN A 28 -22.261 -2.557 -29.561 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.533 -3.593 -29.308 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.862 -4.316 -31.129 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.316 -5.141 -31.111 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.209 -4.953 -28.742 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.094 -6.325 -29.826 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.445 -5.699 -26.835 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.858 -6.443 -26.613 1.00 0.00 H new ATOM 396 N GLN A 29 -20.653 -1.856 -31.884 1.00 0.00 N ATOM 397 CA GLN A 29 -20.233 -1.058 -33.030 1.00 0.00 C ATOM 398 C GLN A 29 -19.193 -0.022 -32.619 1.00 0.00 C ATOM 399 O GLN A 29 -18.377 0.411 -33.434 1.00 0.00 O ATOM 400 CB GLN A 29 -21.439 -0.364 -33.666 1.00 0.00 C ATOM 401 CG GLN A 29 -22.099 0.661 -32.758 1.00 0.00 C ATOM 402 CD GLN A 29 -23.452 1.110 -33.272 1.00 0.00 C ATOM 403 OE1 GLN A 29 -23.591 1.499 -34.432 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.460 1.058 -32.409 1.00 0.00 N ATOM 0 H GLN A 29 -21.658 -1.851 -31.713 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.782 -1.728 -33.762 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.122 0.128 -34.585 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.176 -1.117 -33.946 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.216 0.236 -31.761 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.446 1.528 -32.660 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.300 0.729 -31.457 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.394 1.347 -32.698 1.00 0.00 H new ATOM 413 N TYR A 30 -19.228 0.374 -31.351 1.00 0.00 N ATOM 414 CA TYR A 30 -18.290 1.362 -30.833 1.00 0.00 C ATOM 415 C TYR A 30 -16.914 0.743 -30.610 1.00 0.00 C ATOM 416 O TYR A 30 -15.897 1.437 -30.640 1.00 0.00 O ATOM 417 CB TYR A 30 -18.813 1.954 -29.523 1.00 0.00 C ATOM 418 CG TYR A 30 -20.200 2.547 -29.637 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.556 3.325 -30.732 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.154 2.327 -28.651 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.822 3.868 -30.840 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.422 2.865 -28.752 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.751 3.635 -29.848 1.00 0.00 C ATOM 424 OH TYR A 30 -24.013 4.174 -29.952 1.00 0.00 O ATOM 0 H TYR A 30 -19.896 0.026 -30.663 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.195 2.158 -31.572 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.821 1.175 -28.760 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.124 2.727 -29.182 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.831 3.508 -31.511 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -20.900 1.725 -27.791 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -22.083 4.472 -31.697 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.152 2.684 -27.977 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.681 3.477 -29.786 1.00 0.00 H new ATOM 434 N ILE A 31 -16.890 -0.567 -30.387 1.00 0.00 N ATOM 435 CA ILE A 31 -15.640 -1.281 -30.161 1.00 0.00 C ATOM 436 C ILE A 31 -14.629 -0.982 -31.264 1.00 0.00 C ATOM 437 O ILE A 31 -13.455 -0.731 -30.994 1.00 0.00 O ATOM 438 CB ILE A 31 -15.866 -2.802 -30.086 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.881 -3.135 -28.990 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.549 -3.521 -29.832 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.191 -4.612 -28.882 1.00 0.00 C ATOM 0 H ILE A 31 -17.723 -1.155 -30.358 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.246 -0.933 -29.206 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.266 -3.143 -31.041 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.499 -2.781 -28.032 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.805 -2.591 -29.185 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.725 -4.596 -29.781 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.854 -3.305 -30.643 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.123 -3.178 -28.889 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.917 -4.774 -28.085 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.603 -4.967 -29.826 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.276 -5.160 -28.656 1.00 0.00 H new ATOM 453 N LYS A 32 -15.095 -1.010 -32.508 1.00 0.00 N ATOM 454 CA LYS A 32 -14.234 -0.739 -33.653 1.00 0.00 C ATOM 455 C LYS A 32 -13.648 0.667 -33.574 1.00 0.00 C ATOM 456 O LYS A 32 -12.560 0.926 -34.086 1.00 0.00 O ATOM 457 CB LYS A 32 -15.018 -0.903 -34.957 1.00 0.00 C ATOM 458 CG LYS A 32 -15.421 -2.339 -35.248 1.00 0.00 C ATOM 459 CD LYS A 32 -14.312 -3.097 -35.957 1.00 0.00 C ATOM 460 CE LYS A 32 -14.851 -3.914 -37.121 1.00 0.00 C ATOM 461 NZ LYS A 32 -15.709 -5.039 -36.658 1.00 0.00 N ATOM 0 H LYS A 32 -16.064 -1.218 -32.749 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.414 -1.457 -33.636 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.915 -0.285 -34.912 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.414 -0.529 -35.784 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.669 -2.844 -34.315 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.320 -2.348 -35.864 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.564 -2.393 -36.321 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.811 -3.757 -35.249 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.426 -3.267 -37.783 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.019 -4.308 -37.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.057 -5.572 -37.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.153 -5.670 -36.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.517 -4.662 -36.123 1.00 0.00 H new ATOM 475 N ASN A 33 -14.377 1.571 -32.927 1.00 0.00 N ATOM 476 CA ASN A 33 -13.929 2.951 -32.779 1.00 0.00 C ATOM 477 C ASN A 33 -13.023 3.101 -31.561 1.00 0.00 C ATOM 478 O ASN A 33 -12.145 3.964 -31.529 1.00 0.00 O ATOM 479 CB ASN A 33 -15.131 3.889 -32.654 1.00 0.00 C ATOM 480 CG ASN A 33 -15.870 4.060 -33.967 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.288 3.923 -35.043 1.00 0.00 O ATOM 482 ND2 ASN A 33 -17.161 4.360 -33.884 1.00 0.00 N ATOM 0 H ASN A 33 -15.280 1.373 -32.497 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.359 3.219 -33.669 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.817 3.498 -31.902 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.793 4.863 -32.301 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.711 4.486 -34.734 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.603 4.464 -32.971 1.00 0.00 H new ATOM 489 N PHE A 34 -13.242 2.256 -30.560 1.00 0.00 N ATOM 490 CA PHE A 34 -12.446 2.294 -29.338 1.00 0.00 C ATOM 491 C PHE A 34 -11.052 1.722 -29.579 1.00 0.00 C ATOM 492 O PHE A 34 -10.096 2.082 -28.893 1.00 0.00 O ATOM 493 CB PHE A 34 -13.145 1.513 -28.224 1.00 0.00 C ATOM 494 CG PHE A 34 -14.077 2.351 -27.397 1.00 0.00 C ATOM 495 CD1 PHE A 34 -15.117 3.047 -27.993 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.914 2.444 -26.024 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.975 3.820 -27.234 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.770 3.215 -25.260 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.802 3.903 -25.866 1.00 0.00 C ATOM 0 H PHE A 34 -13.964 1.536 -30.570 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.344 3.335 -29.033 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.706 0.689 -28.666 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.391 1.072 -27.572 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.258 2.985 -29.062 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -13.108 1.908 -25.545 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.781 4.359 -27.710 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.632 3.279 -24.191 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.473 4.505 -25.272 1.00 0.00 H new ATOM 509 N GLU A 35 -10.947 0.829 -30.558 1.00 0.00 N ATOM 510 CA GLU A 35 -9.670 0.206 -30.889 1.00 0.00 C ATOM 511 C GLU A 35 -8.713 1.222 -31.506 1.00 0.00 C ATOM 512 O GLU A 35 -7.571 1.361 -31.066 1.00 0.00 O ATOM 513 CB GLU A 35 -9.882 -0.963 -31.853 1.00 0.00 C ATOM 514 CG GLU A 35 -9.390 -2.295 -31.313 1.00 0.00 C ATOM 515 CD GLU A 35 -7.878 -2.369 -31.233 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.227 -1.306 -31.302 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.346 -3.491 -31.101 1.00 0.00 O ATOM 0 H GLU A 35 -11.729 0.521 -31.135 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.228 -0.170 -29.966 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.944 -1.044 -32.084 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.368 -0.748 -32.790 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.811 -2.459 -30.321 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.756 -3.099 -31.951 1.00 0.00 H new ATOM 524 N ARG A 36 -9.187 1.928 -32.527 1.00 0.00 N ATOM 525 CA ARG A 36 -8.373 2.930 -33.206 1.00 0.00 C ATOM 526 C ARG A 36 -8.123 4.132 -32.300 1.00 0.00 C ATOM 527 O ARG A 36 -7.120 4.830 -32.443 1.00 0.00 O ATOM 528 CB ARG A 36 -9.057 3.383 -34.497 1.00 0.00 C ATOM 529 CG ARG A 36 -8.086 3.860 -35.565 1.00 0.00 C ATOM 530 CD ARG A 36 -8.784 4.067 -36.900 1.00 0.00 C ATOM 531 NE ARG A 36 -8.617 5.428 -37.400 1.00 0.00 N ATOM 532 CZ ARG A 36 -8.822 5.777 -38.665 1.00 0.00 C ATOM 533 NH1 ARG A 36 -9.202 4.869 -39.553 1.00 0.00 N ATOM 534 NH2 ARG A 36 -8.649 7.037 -39.044 1.00 0.00 N ATOM 0 H ARG A 36 -10.130 1.825 -32.902 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.413 2.477 -33.452 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.646 2.557 -34.896 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.754 4.188 -34.266 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.623 4.794 -35.246 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.284 3.131 -35.681 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.387 3.362 -37.630 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.846 3.849 -36.791 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.327 6.151 -36.742 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.338 3.900 -39.265 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.359 5.140 -40.524 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.358 7.739 -38.363 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.807 7.303 -40.016 1.00 0.00 H new ATOM 548 N GLU A 37 -9.044 4.367 -31.370 1.00 0.00 N ATOM 549 CA GLU A 37 -8.923 5.486 -30.443 1.00 0.00 C ATOM 550 C GLU A 37 -7.964 5.149 -29.305 1.00 0.00 C ATOM 551 O GLU A 37 -7.422 6.039 -28.650 1.00 0.00 O ATOM 552 CB GLU A 37 -10.295 5.857 -29.876 1.00 0.00 C ATOM 553 CG GLU A 37 -11.114 6.746 -30.796 1.00 0.00 C ATOM 554 CD GLU A 37 -11.179 8.183 -30.314 1.00 0.00 C ATOM 555 OE1 GLU A 37 -10.220 8.939 -30.576 1.00 0.00 O ATOM 556 OE2 GLU A 37 -12.187 8.550 -29.676 1.00 0.00 O ATOM 0 H GLU A 37 -9.881 3.798 -31.239 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.522 6.338 -30.992 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.855 4.944 -29.675 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.159 6.364 -28.921 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.683 6.722 -31.797 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.125 6.347 -30.875 1.00 0.00 H new ATOM 563 N LYS A 38 -7.760 3.856 -29.075 1.00 0.00 N ATOM 564 CA LYS A 38 -6.867 3.399 -28.017 1.00 0.00 C ATOM 565 C LYS A 38 -7.308 3.939 -26.660 1.00 0.00 C ATOM 566 O LYS A 38 -6.478 4.321 -25.834 1.00 0.00 O ATOM 567 CB LYS A 38 -5.430 3.837 -28.310 1.00 0.00 C ATOM 568 CG LYS A 38 -4.888 3.307 -29.626 1.00 0.00 C ATOM 569 CD LYS A 38 -4.393 1.877 -29.490 1.00 0.00 C ATOM 570 CE LYS A 38 -3.727 1.394 -30.769 1.00 0.00 C ATOM 571 NZ LYS A 38 -3.208 0.005 -30.633 1.00 0.00 N ATOM 0 H LYS A 38 -8.201 3.106 -29.607 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.910 2.310 -27.985 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.386 4.926 -28.321 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.784 3.500 -27.499 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.668 3.352 -30.386 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.072 3.944 -29.968 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.685 1.813 -28.663 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.230 1.223 -29.245 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.443 1.435 -31.590 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.907 2.064 -31.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.761 -0.288 -31.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.506 -0.030 -29.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.994 -0.639 -30.412 1.00 0.00 H new ATOM 585 N ILE A 39 -8.617 3.967 -26.437 1.00 0.00 N ATOM 586 CA ILE A 39 -9.167 4.458 -25.180 1.00 0.00 C ATOM 587 C ILE A 39 -8.601 3.686 -23.993 1.00 0.00 C ATOM 588 O ILE A 39 -8.911 2.511 -23.799 1.00 0.00 O ATOM 589 CB ILE A 39 -10.704 4.355 -25.159 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.306 5.148 -26.320 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.250 4.854 -23.830 1.00 0.00 C ATOM 592 CD1 ILE A 39 -10.930 6.613 -26.310 1.00 0.00 C ATOM 0 H ILE A 39 -9.317 3.655 -27.111 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.880 5.506 -25.099 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.985 3.308 -25.275 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.980 4.704 -27.260 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.392 5.060 -26.285 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.337 4.775 -23.831 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.843 4.250 -23.019 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.962 5.895 -23.686 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.392 7.113 -27.161 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.280 7.072 -25.386 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.846 6.711 -26.376 1.00 0.00 H new ATOM 604 N SER A 40 -7.769 4.356 -23.202 1.00 0.00 N ATOM 605 CA SER A 40 -7.157 3.732 -22.034 1.00 0.00 C ATOM 606 C SER A 40 -8.083 3.816 -20.825 1.00 0.00 C ATOM 607 O SER A 40 -8.991 4.645 -20.781 1.00 0.00 O ATOM 608 CB SER A 40 -5.820 4.403 -21.714 1.00 0.00 C ATOM 609 OG SER A 40 -5.172 3.758 -20.632 1.00 0.00 O ATOM 0 H SER A 40 -7.503 5.330 -23.348 1.00 0.00 H new ATOM 0 HA SER A 40 -6.983 2.681 -22.264 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.177 4.378 -22.594 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.985 5.452 -21.470 1.00 0.00 H new ATOM 0 HG SER A 40 -5.419 2.810 -20.621 1.00 0.00 H new ATOM 615 N GLY A 41 -7.846 2.950 -19.845 1.00 0.00 N ATOM 616 CA GLY A 41 -8.667 2.941 -18.648 1.00 0.00 C ATOM 617 C GLY A 41 -8.754 4.306 -17.995 1.00 0.00 C ATOM 618 O GLY A 41 -9.828 4.731 -17.569 1.00 0.00 O ATOM 0 H GLY A 41 -7.100 2.254 -19.858 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.670 2.598 -18.902 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.257 2.226 -17.935 1.00 0.00 H new ATOM 622 N ASP A 42 -7.621 4.995 -17.913 1.00 0.00 N ATOM 623 CA ASP A 42 -7.573 6.320 -17.306 1.00 0.00 C ATOM 624 C ASP A 42 -8.623 7.238 -17.923 1.00 0.00 C ATOM 625 O ASP A 42 -9.131 8.145 -17.264 1.00 0.00 O ATOM 626 CB ASP A 42 -6.181 6.931 -17.474 1.00 0.00 C ATOM 627 CG ASP A 42 -6.093 8.335 -16.908 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.596 9.272 -17.563 1.00 0.00 O ATOM 629 OD2 ASP A 42 -5.521 8.496 -15.810 1.00 0.00 O ATOM 0 H ASP A 42 -6.723 4.658 -18.260 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.789 6.214 -16.243 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.446 6.296 -16.979 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.922 6.952 -18.533 1.00 0.00 H new ATOM 634 N GLN A 43 -8.942 6.997 -19.190 1.00 0.00 N ATOM 635 CA GLN A 43 -9.931 7.804 -19.896 1.00 0.00 C ATOM 636 C GLN A 43 -11.328 7.213 -19.740 1.00 0.00 C ATOM 637 O GLN A 43 -12.314 7.943 -19.637 1.00 0.00 O ATOM 638 CB GLN A 43 -9.570 7.908 -21.379 1.00 0.00 C ATOM 639 CG GLN A 43 -8.484 8.931 -21.671 1.00 0.00 C ATOM 640 CD GLN A 43 -8.778 9.758 -22.907 1.00 0.00 C ATOM 641 OE1 GLN A 43 -8.784 10.988 -22.858 1.00 0.00 O ATOM 642 NE2 GLN A 43 -9.025 9.085 -24.025 1.00 0.00 N ATOM 0 H GLN A 43 -8.530 6.250 -19.749 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.929 8.802 -19.458 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.242 6.931 -21.734 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.465 8.169 -21.945 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.374 9.594 -20.813 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.532 8.417 -21.801 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.010 8.065 -24.020 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.230 9.588 -24.888 1.00 0.00 H new ATOM 651 N LEU A 44 -11.405 5.887 -19.723 1.00 0.00 N ATOM 652 CA LEU A 44 -12.682 5.196 -19.580 1.00 0.00 C ATOM 653 C LEU A 44 -13.328 5.519 -18.237 1.00 0.00 C ATOM 654 O LEU A 44 -14.513 5.850 -18.169 1.00 0.00 O ATOM 655 CB LEU A 44 -12.485 3.685 -19.714 1.00 0.00 C ATOM 656 CG LEU A 44 -13.739 2.827 -19.540 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.673 3.000 -20.728 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.363 1.363 -19.364 1.00 0.00 C ATOM 0 H LEU A 44 -10.598 5.269 -19.806 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.345 5.541 -20.374 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.062 3.480 -20.697 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.747 3.368 -18.977 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.261 3.158 -18.642 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.560 2.382 -20.587 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.969 4.046 -20.809 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.161 2.696 -21.641 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.268 0.767 -19.242 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.818 1.019 -20.243 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.734 1.253 -18.481 1.00 0.00 H new ATOM 670 N LEU A 45 -12.542 5.424 -17.170 1.00 0.00 N ATOM 671 CA LEU A 45 -13.037 5.709 -15.828 1.00 0.00 C ATOM 672 C LEU A 45 -13.586 7.130 -15.740 1.00 0.00 C ATOM 673 O LEU A 45 -14.494 7.407 -14.956 1.00 0.00 O ATOM 674 CB LEU A 45 -11.920 5.517 -14.800 1.00 0.00 C ATOM 675 CG LEU A 45 -11.694 4.085 -14.315 1.00 0.00 C ATOM 676 CD1 LEU A 45 -10.244 3.884 -13.903 1.00 0.00 C ATOM 677 CD2 LEU A 45 -12.628 3.760 -13.159 1.00 0.00 C ATOM 0 H LEU A 45 -11.560 5.152 -17.208 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.847 5.013 -15.610 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.989 5.884 -15.232 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -12.139 6.142 -13.934 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.915 3.404 -15.137 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.102 2.859 -13.561 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.593 4.075 -14.756 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.996 4.574 -13.096 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.453 2.737 -12.827 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.439 4.447 -12.334 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.662 3.863 -13.487 1.00 0.00 H new ATOM 689 N ARG A 46 -13.030 8.025 -16.550 1.00 0.00 N ATOM 690 CA ARG A 46 -13.465 9.416 -16.564 1.00 0.00 C ATOM 691 C ARG A 46 -14.120 9.767 -17.896 1.00 0.00 C ATOM 692 O ARG A 46 -14.078 10.917 -18.336 1.00 0.00 O ATOM 693 CB ARG A 46 -12.278 10.346 -16.306 1.00 0.00 C ATOM 694 CG ARG A 46 -11.267 10.372 -17.441 1.00 0.00 C ATOM 695 CD ARG A 46 -9.965 11.030 -17.011 1.00 0.00 C ATOM 696 NE ARG A 46 -9.962 12.465 -17.279 1.00 0.00 N ATOM 697 CZ ARG A 46 -8.995 13.285 -16.882 1.00 0.00 C ATOM 698 NH1 ARG A 46 -7.959 12.813 -16.204 1.00 0.00 N ATOM 699 NH2 ARG A 46 -9.064 14.580 -17.164 1.00 0.00 N ATOM 0 H ARG A 46 -12.278 7.812 -17.205 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.201 9.549 -15.771 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.649 11.357 -16.138 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.776 10.035 -15.390 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.068 9.354 -17.776 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.686 10.912 -18.291 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.808 10.860 -15.946 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.132 10.562 -17.535 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.745 12.860 -17.800 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.903 11.818 -15.986 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.218 13.444 -15.900 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.860 14.947 -17.686 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.321 15.209 -16.859 1.00 0.00 H new ATOM 713 N ILE A 47 -14.724 8.770 -18.534 1.00 0.00 N ATOM 714 CA ILE A 47 -15.388 8.974 -19.815 1.00 0.00 C ATOM 715 C ILE A 47 -16.634 9.839 -19.657 1.00 0.00 C ATOM 716 O ILE A 47 -17.411 9.664 -18.718 1.00 0.00 O ATOM 717 CB ILE A 47 -15.786 7.635 -20.463 1.00 0.00 C ATOM 718 CG1 ILE A 47 -16.343 7.869 -21.869 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.805 6.910 -19.597 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.631 7.073 -22.941 1.00 0.00 C ATOM 0 H ILE A 47 -14.767 7.813 -18.184 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.674 9.483 -20.462 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.897 7.009 -20.545 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.402 7.611 -21.879 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.271 8.930 -22.108 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -17.077 5.965 -20.068 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.375 6.715 -18.615 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.695 7.529 -19.487 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -16.078 7.288 -23.911 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.576 7.348 -22.958 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.725 6.008 -22.726 1.00 0.00 H new ATOM 732 N THR A 48 -16.821 10.774 -20.584 1.00 0.00 N ATOM 733 CA THR A 48 -17.972 11.666 -20.549 1.00 0.00 C ATOM 734 C THR A 48 -18.691 11.689 -21.893 1.00 0.00 C ATOM 735 O THR A 48 -18.171 11.199 -22.896 1.00 0.00 O ATOM 736 CB THR A 48 -17.559 13.102 -20.176 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.722 13.929 -20.050 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.627 13.687 -21.226 1.00 0.00 C ATOM 0 H THR A 48 -16.189 10.932 -21.369 1.00 0.00 H new ATOM 0 HA THR A 48 -18.647 11.280 -19.785 1.00 0.00 H new ATOM 0 HB THR A 48 -17.032 13.069 -19.223 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.451 14.840 -19.811 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.349 14.702 -20.941 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.730 13.072 -21.300 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.133 13.707 -22.191 1.00 0.00 H new ATOM 746 N HIS A 49 -19.891 12.262 -21.908 1.00 0.00 N ATOM 747 CA HIS A 49 -20.681 12.350 -23.131 1.00 0.00 C ATOM 748 C HIS A 49 -19.878 13.007 -24.250 1.00 0.00 C ATOM 749 O HIS A 49 -19.987 12.619 -25.413 1.00 0.00 O ATOM 750 CB HIS A 49 -21.965 13.140 -22.878 1.00 0.00 C ATOM 751 CG HIS A 49 -22.997 12.375 -22.108 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.652 12.890 -21.009 1.00 0.00 N ATOM 753 CD2 HIS A 49 -23.488 11.126 -22.285 1.00 0.00 C ATOM 754 CE1 HIS A 49 -24.499 11.991 -20.542 1.00 0.00 C ATOM 755 NE2 HIS A 49 -24.420 10.911 -21.299 1.00 0.00 N ATOM 0 H HIS A 49 -20.337 12.672 -21.087 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.941 11.338 -23.440 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.719 14.052 -22.334 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.389 13.444 -23.835 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -23.200 10.428 -23.058 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.146 12.117 -19.687 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -24.963 10.057 -21.172 1.00 0.00 H new ATOM 763 N GLN A 50 -19.074 14.001 -23.890 1.00 0.00 N ATOM 764 CA GLN A 50 -18.255 14.712 -24.865 1.00 0.00 C ATOM 765 C GLN A 50 -17.237 13.775 -25.508 1.00 0.00 C ATOM 766 O GLN A 50 -17.008 13.827 -26.715 1.00 0.00 O ATOM 767 CB GLN A 50 -17.535 15.886 -24.199 1.00 0.00 C ATOM 768 CG GLN A 50 -17.812 17.225 -24.864 1.00 0.00 C ATOM 769 CD GLN A 50 -17.983 18.349 -23.861 1.00 0.00 C ATOM 770 OE1 GLN A 50 -17.020 18.788 -23.232 1.00 0.00 O ATOM 771 NE2 GLN A 50 -19.214 18.823 -23.707 1.00 0.00 N ATOM 0 H GLN A 50 -18.972 14.333 -22.931 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.914 15.094 -25.645 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.836 15.940 -23.153 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.461 15.698 -24.212 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.992 17.468 -25.540 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -18.713 17.145 -25.472 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -19.983 18.430 -24.249 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -19.390 19.580 -23.047 1.00 0.00 H new ATOM 780 N GLU A 51 -16.631 12.919 -24.691 1.00 0.00 N ATOM 781 CA GLU A 51 -15.637 11.971 -25.181 1.00 0.00 C ATOM 782 C GLU A 51 -16.292 10.888 -26.034 1.00 0.00 C ATOM 783 O GLU A 51 -15.796 10.543 -27.107 1.00 0.00 O ATOM 784 CB GLU A 51 -14.889 11.330 -24.009 1.00 0.00 C ATOM 785 CG GLU A 51 -14.053 12.315 -23.210 1.00 0.00 C ATOM 786 CD GLU A 51 -12.758 12.683 -23.909 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.825 13.272 -25.008 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.679 12.381 -23.357 1.00 0.00 O ATOM 0 H GLU A 51 -16.811 12.863 -23.689 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.926 12.517 -25.801 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.611 10.856 -23.344 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.240 10.541 -24.390 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.635 13.219 -23.032 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.826 11.885 -22.234 1.00 0.00 H new ATOM 795 N LEU A 52 -17.407 10.355 -25.548 1.00 0.00 N ATOM 796 CA LEU A 52 -18.131 9.310 -26.264 1.00 0.00 C ATOM 797 C LEU A 52 -18.479 9.761 -27.679 1.00 0.00 C ATOM 798 O LEU A 52 -18.341 8.999 -28.635 1.00 0.00 O ATOM 799 CB LEU A 52 -19.407 8.936 -25.508 1.00 0.00 C ATOM 800 CG LEU A 52 -19.280 7.790 -24.503 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.447 7.803 -23.528 1.00 0.00 C ATOM 802 CD2 LEU A 52 -19.201 6.453 -25.226 1.00 0.00 C ATOM 0 H LEU A 52 -17.830 10.629 -24.661 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.485 8.434 -26.329 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.764 9.819 -24.978 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.173 8.670 -26.237 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.359 7.929 -23.937 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.339 6.981 -22.821 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.458 8.749 -22.986 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.381 7.689 -24.077 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -19.111 5.649 -24.495 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.104 6.306 -25.818 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -18.331 6.445 -25.883 1.00 0.00 H new ATOM 814 N GLU A 53 -18.930 11.006 -27.804 1.00 0.00 N ATOM 815 CA GLU A 53 -19.296 11.558 -29.103 1.00 0.00 C ATOM 816 C GLU A 53 -18.148 11.414 -30.098 1.00 0.00 C ATOM 817 O GLU A 53 -18.347 10.981 -31.233 1.00 0.00 O ATOM 818 CB GLU A 53 -19.684 13.031 -28.965 1.00 0.00 C ATOM 819 CG GLU A 53 -20.988 13.385 -29.659 1.00 0.00 C ATOM 820 CD GLU A 53 -21.325 14.860 -29.552 1.00 0.00 C ATOM 821 OE1 GLU A 53 -21.138 15.433 -28.459 1.00 0.00 O ATOM 822 OE2 GLU A 53 -21.777 15.440 -30.562 1.00 0.00 O ATOM 0 H GLU A 53 -19.050 11.650 -27.022 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.152 10.998 -29.479 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -19.767 13.278 -27.907 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -18.885 13.648 -29.375 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.923 13.107 -30.711 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.797 12.799 -29.224 1.00 0.00 H new ATOM 829 N ASP A 54 -16.948 11.782 -29.665 1.00 0.00 N ATOM 830 CA ASP A 54 -15.767 11.695 -30.516 1.00 0.00 C ATOM 831 C ASP A 54 -15.623 10.294 -31.103 1.00 0.00 C ATOM 832 O ASP A 54 -15.418 10.131 -32.306 1.00 0.00 O ATOM 833 CB ASP A 54 -14.512 12.061 -29.724 1.00 0.00 C ATOM 834 CG ASP A 54 -13.401 12.589 -30.610 1.00 0.00 C ATOM 835 OD1 ASP A 54 -13.622 13.610 -31.295 1.00 0.00 O ATOM 836 OD2 ASP A 54 -12.309 11.983 -30.618 1.00 0.00 O ATOM 0 H ASP A 54 -16.767 12.144 -28.729 1.00 0.00 H new ATOM 0 HA ASP A 54 -15.888 12.403 -31.336 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.764 12.813 -28.976 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.157 11.182 -29.186 1.00 0.00 H new ATOM 841 N LEU A 55 -15.730 9.285 -30.245 1.00 0.00 N ATOM 842 CA LEU A 55 -15.611 7.897 -30.677 1.00 0.00 C ATOM 843 C LEU A 55 -16.681 7.554 -31.708 1.00 0.00 C ATOM 844 O LEU A 55 -16.503 6.653 -32.527 1.00 0.00 O ATOM 845 CB LEU A 55 -15.723 6.957 -29.476 1.00 0.00 C ATOM 846 CG LEU A 55 -14.612 7.066 -28.431 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.180 6.910 -27.029 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.532 6.026 -28.690 1.00 0.00 C ATOM 0 H LEU A 55 -15.899 9.402 -29.246 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.633 7.769 -31.140 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.677 7.142 -28.983 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -15.748 5.931 -29.844 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.162 8.055 -28.510 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.375 6.990 -26.299 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.916 7.693 -26.845 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.657 5.935 -26.936 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.750 6.119 -27.937 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.968 5.028 -28.640 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.103 6.185 -29.680 1.00 0.00 H new ATOM 860 N GLY A 56 -17.794 8.280 -31.663 1.00 0.00 N ATOM 861 CA GLY A 56 -18.876 8.039 -32.599 1.00 0.00 C ATOM 862 C GLY A 56 -20.148 7.585 -31.911 1.00 0.00 C ATOM 863 O GLY A 56 -20.914 6.796 -32.464 1.00 0.00 O ATOM 0 H GLY A 56 -17.965 9.031 -30.995 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.076 8.951 -33.161 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.567 7.282 -33.320 1.00 0.00 H new ATOM 867 N VAL A 57 -20.374 8.083 -30.700 1.00 0.00 N ATOM 868 CA VAL A 57 -21.561 7.724 -29.934 1.00 0.00 C ATOM 869 C VAL A 57 -22.433 8.946 -29.667 1.00 0.00 C ATOM 870 O VAL A 57 -22.407 9.513 -28.574 1.00 0.00 O ATOM 871 CB VAL A 57 -21.187 7.070 -28.591 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.436 6.607 -27.856 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.228 5.910 -28.813 1.00 0.00 C ATOM 0 H VAL A 57 -19.750 8.737 -30.228 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.120 7.007 -30.535 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.685 7.813 -27.972 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.152 6.147 -26.909 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.083 7.463 -27.664 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -22.969 5.879 -28.467 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -19.974 5.459 -27.854 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.701 5.163 -29.451 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.321 6.275 -29.294 1.00 0.00 H new ATOM 883 N SER A 58 -23.206 9.346 -30.671 1.00 0.00 N ATOM 884 CA SER A 58 -24.084 10.504 -30.546 1.00 0.00 C ATOM 885 C SER A 58 -25.347 10.146 -29.768 1.00 0.00 C ATOM 886 O SER A 58 -25.912 10.981 -29.063 1.00 0.00 O ATOM 887 CB SER A 58 -24.457 11.040 -31.929 1.00 0.00 C ATOM 888 OG SER A 58 -24.680 12.439 -31.891 1.00 0.00 O ATOM 0 H SER A 58 -23.242 8.885 -31.580 1.00 0.00 H new ATOM 0 HA SER A 58 -23.548 11.278 -29.998 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.659 10.815 -32.637 1.00 0.00 H new ATOM 0 HB3 SER A 58 -25.354 10.535 -32.288 1.00 0.00 H new ATOM 0 HG SER A 58 -24.915 12.757 -32.788 1.00 0.00 H new ATOM 894 N ARG A 59 -25.784 8.898 -29.904 1.00 0.00 N ATOM 895 CA ARG A 59 -26.980 8.428 -29.216 1.00 0.00 C ATOM 896 C ARG A 59 -26.889 8.703 -27.718 1.00 0.00 C ATOM 897 O ARG A 59 -25.800 8.900 -27.178 1.00 0.00 O ATOM 898 CB ARG A 59 -27.180 6.931 -29.460 1.00 0.00 C ATOM 899 CG ARG A 59 -28.132 6.622 -30.604 1.00 0.00 C ATOM 900 CD ARG A 59 -29.584 6.754 -30.171 1.00 0.00 C ATOM 901 NE ARG A 59 -30.161 8.034 -30.574 1.00 0.00 N ATOM 902 CZ ARG A 59 -30.400 8.367 -31.838 1.00 0.00 C ATOM 903 NH1 ARG A 59 -30.114 7.518 -32.816 1.00 0.00 N ATOM 904 NH2 ARG A 59 -30.927 9.550 -32.125 1.00 0.00 N ATOM 0 H ARG A 59 -25.327 8.194 -30.484 1.00 0.00 H new ATOM 0 HA ARG A 59 -27.836 8.971 -29.616 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.213 6.473 -29.669 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.560 6.470 -28.548 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -27.936 7.299 -31.435 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -27.950 5.611 -30.967 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -30.167 5.941 -30.604 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -29.650 6.652 -29.088 1.00 0.00 H new ATOM 0 HE ARG A 59 -30.393 8.709 -29.845 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -29.710 6.607 -32.599 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -30.298 7.776 -33.785 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -31.149 10.205 -31.375 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -31.110 9.805 -33.096 1.00 0.00 H new ATOM 918 N ILE A 60 -28.040 8.715 -27.053 1.00 0.00 N ATOM 919 CA ILE A 60 -28.089 8.965 -25.618 1.00 0.00 C ATOM 920 C ILE A 60 -28.224 7.662 -24.837 1.00 0.00 C ATOM 921 O ILE A 60 -27.452 7.394 -23.918 1.00 0.00 O ATOM 922 CB ILE A 60 -29.260 9.895 -25.249 1.00 0.00 C ATOM 923 CG1 ILE A 60 -29.135 11.227 -25.991 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.301 10.123 -23.745 1.00 0.00 C ATOM 925 CD1 ILE A 60 -27.866 11.983 -25.668 1.00 0.00 C ATOM 0 H ILE A 60 -28.950 8.555 -27.485 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.151 9.451 -25.350 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.193 9.418 -25.551 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.174 11.041 -27.064 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -29.993 11.852 -25.745 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -30.134 10.782 -23.499 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.432 9.168 -23.236 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -28.367 10.582 -23.421 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -27.846 12.917 -26.230 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -27.834 12.201 -24.601 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -27.002 11.377 -25.940 1.00 0.00 H new ATOM 937 N GLY A 61 -29.210 6.853 -25.213 1.00 0.00 N ATOM 938 CA GLY A 61 -29.428 5.586 -24.539 1.00 0.00 C ATOM 939 C GLY A 61 -28.229 4.663 -24.639 1.00 0.00 C ATOM 940 O GLY A 61 -28.091 3.726 -23.852 1.00 0.00 O ATOM 0 H GLY A 61 -29.862 7.052 -25.972 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.654 5.771 -23.489 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.299 5.093 -24.971 1.00 0.00 H new ATOM 944 N HIS A 62 -27.361 4.927 -25.610 1.00 0.00 N ATOM 945 CA HIS A 62 -26.168 4.111 -25.811 1.00 0.00 C ATOM 946 C HIS A 62 -25.032 4.579 -24.906 1.00 0.00 C ATOM 947 O HIS A 62 -24.262 3.767 -24.393 1.00 0.00 O ATOM 948 CB HIS A 62 -25.727 4.168 -27.274 1.00 0.00 C ATOM 949 CG HIS A 62 -26.688 3.510 -28.215 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.793 3.855 -29.546 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.591 2.523 -28.012 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.719 3.109 -30.120 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.219 2.292 -29.211 1.00 0.00 N ATOM 0 H HIS A 62 -27.461 5.699 -26.270 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.414 3.081 -25.553 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.601 5.210 -27.567 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.752 3.690 -27.370 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -27.782 2.012 -27.080 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -28.017 3.159 -31.157 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -28.952 1.602 -29.373 1.00 0.00 H new ATOM 961 N GLN A 63 -24.935 5.890 -24.716 1.00 0.00 N ATOM 962 CA GLN A 63 -23.891 6.464 -23.874 1.00 0.00 C ATOM 963 C GLN A 63 -24.070 6.039 -22.420 1.00 0.00 C ATOM 964 O GLN A 63 -23.097 5.747 -21.726 1.00 0.00 O ATOM 965 CB GLN A 63 -23.906 7.990 -23.977 1.00 0.00 C ATOM 966 CG GLN A 63 -23.434 8.514 -25.324 1.00 0.00 C ATOM 967 CD GLN A 63 -23.655 10.005 -25.481 1.00 0.00 C ATOM 968 OE1 GLN A 63 -24.726 10.523 -25.160 1.00 0.00 O ATOM 969 NE2 GLN A 63 -22.642 10.706 -25.976 1.00 0.00 N ATOM 0 H GLN A 63 -25.566 6.575 -25.133 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.929 6.092 -24.226 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -24.919 8.348 -23.792 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.273 8.405 -23.193 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.373 8.293 -25.444 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -23.961 7.987 -26.119 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -21.772 10.237 -26.229 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -22.733 11.714 -26.103 1.00 0.00 H new ATOM 978 N GLU A 64 -25.319 6.008 -21.967 1.00 0.00 N ATOM 979 CA GLU A 64 -25.624 5.620 -20.595 1.00 0.00 C ATOM 980 C GLU A 64 -25.400 4.124 -20.390 1.00 0.00 C ATOM 981 O GLU A 64 -25.060 3.680 -19.293 1.00 0.00 O ATOM 982 CB GLU A 64 -27.069 5.982 -20.247 1.00 0.00 C ATOM 983 CG GLU A 64 -27.223 7.377 -19.664 1.00 0.00 C ATOM 984 CD GLU A 64 -27.309 7.369 -18.150 1.00 0.00 C ATOM 985 OE1 GLU A 64 -26.831 6.394 -17.534 1.00 0.00 O ATOM 986 OE2 GLU A 64 -27.853 8.339 -17.581 1.00 0.00 O ATOM 0 H GLU A 64 -26.136 6.247 -22.530 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.951 6.165 -19.933 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.681 5.903 -21.146 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.455 5.254 -19.533 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.377 7.992 -19.973 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -28.121 7.841 -20.073 1.00 0.00 H new ATOM 993 N LEU A 65 -25.593 3.352 -21.454 1.00 0.00 N ATOM 994 CA LEU A 65 -25.413 1.906 -21.392 1.00 0.00 C ATOM 995 C LEU A 65 -24.008 1.552 -20.914 1.00 0.00 C ATOM 996 O LEU A 65 -23.837 0.728 -20.015 1.00 0.00 O ATOM 997 CB LEU A 65 -25.669 1.281 -22.765 1.00 0.00 C ATOM 998 CG LEU A 65 -27.066 0.701 -22.988 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.262 0.328 -24.449 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.290 -0.509 -22.092 1.00 0.00 C ATOM 0 H LEU A 65 -25.874 3.703 -22.369 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.132 1.506 -20.677 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.486 2.039 -23.527 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -24.938 0.488 -22.923 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.801 1.463 -22.727 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.262 -0.083 -24.589 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.145 1.216 -25.070 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.520 -0.417 -24.737 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -28.289 -0.909 -22.264 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.548 -1.274 -22.322 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -27.193 -0.212 -21.048 1.00 0.00 H new ATOM 1012 N ILE A 66 -23.007 2.181 -21.520 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.618 1.934 -21.153 1.00 0.00 C ATOM 1014 C ILE A 66 -21.325 2.431 -19.741 1.00 0.00 C ATOM 1015 O ILE A 66 -20.808 1.689 -18.905 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.647 2.615 -22.136 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -21.007 2.251 -23.578 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.212 2.216 -21.826 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.157 2.957 -24.610 1.00 0.00 C ATOM 0 H ILE A 66 -23.131 2.865 -22.267 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.468 0.855 -21.194 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.736 3.695 -22.021 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.903 1.174 -23.709 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.055 2.494 -23.755 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.538 2.705 -22.529 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -18.961 2.521 -20.810 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.107 1.135 -21.916 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.468 2.651 -25.609 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.279 4.035 -24.506 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.110 2.695 -24.460 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.660 3.690 -19.482 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.436 4.286 -18.170 1.00 0.00 C ATOM 1033 C LEU A 67 -22.027 3.414 -17.067 1.00 0.00 C ATOM 1034 O LEU A 67 -21.365 3.125 -16.070 1.00 0.00 O ATOM 1035 CB LEU A 67 -22.050 5.686 -18.112 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.586 6.667 -19.189 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.612 7.774 -19.381 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -20.229 7.253 -18.829 1.00 0.00 C ATOM 0 H LEU A 67 -22.088 4.318 -20.163 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.360 4.361 -18.012 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.134 5.589 -18.180 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.829 6.118 -17.136 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.487 6.124 -20.129 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -22.265 8.463 -20.151 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.564 7.339 -19.686 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.744 8.315 -18.444 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.915 7.949 -19.607 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.301 7.781 -17.878 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.497 6.450 -18.744 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.275 2.997 -17.254 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.953 2.156 -16.274 1.00 0.00 C ATOM 1052 C GLU A 68 -23.106 0.936 -15.925 1.00 0.00 C ATOM 1053 O GLU A 68 -23.175 0.417 -14.811 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.315 1.708 -16.810 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.078 0.806 -15.854 1.00 0.00 C ATOM 1056 CD GLU A 68 -26.195 -0.617 -16.363 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -26.453 -0.795 -17.572 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -26.029 -1.553 -15.553 1.00 0.00 O ATOM 0 H GLU A 68 -23.837 3.227 -18.074 1.00 0.00 H new ATOM 0 HA GLU A 68 -24.102 2.745 -15.369 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.919 2.589 -17.025 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.170 1.183 -17.754 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -25.577 0.802 -14.886 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -27.076 1.214 -15.694 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.307 0.483 -16.885 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.445 -0.674 -16.679 1.00 0.00 C ATOM 1067 C ALA A 69 -20.147 -0.276 -15.984 1.00 0.00 C ATOM 1068 O ALA A 69 -19.639 -1.004 -15.132 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.147 -1.354 -18.008 1.00 0.00 C ATOM 0 H ALA A 69 -22.239 0.900 -17.813 1.00 0.00 H new ATOM 0 HA ALA A 69 -21.971 -1.377 -16.033 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.502 -2.216 -17.839 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.080 -1.683 -18.466 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.645 -0.650 -18.672 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.615 0.885 -16.355 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.377 1.380 -15.766 1.00 0.00 C ATOM 1077 C VAL A 70 -18.540 1.631 -14.271 1.00 0.00 C ATOM 1078 O VAL A 70 -17.612 1.417 -13.491 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.914 2.683 -16.446 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.638 3.198 -15.800 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.715 2.463 -17.938 1.00 0.00 C ATOM 0 H VAL A 70 -20.022 1.499 -17.060 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.623 0.609 -15.921 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.690 3.437 -16.313 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.326 4.119 -16.293 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.819 3.396 -14.744 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.852 2.449 -15.899 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.388 3.393 -18.403 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -16.959 1.694 -18.095 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.655 2.144 -18.387 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.725 2.084 -13.879 1.00 0.00 N ATOM 1092 CA ASP A 71 -20.012 2.362 -12.477 1.00 0.00 C ATOM 1093 C ASP A 71 -19.721 1.141 -11.610 1.00 0.00 C ATOM 1094 O ASP A 71 -19.408 1.267 -10.426 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.471 2.788 -12.307 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.627 3.947 -11.342 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -20.834 4.907 -11.435 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -22.542 3.894 -10.493 1.00 0.00 O ATOM 0 H ASP A 71 -20.503 2.267 -14.513 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.364 3.177 -12.154 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.880 3.070 -13.277 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -22.055 1.940 -11.949 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.829 -0.041 -12.208 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.579 -1.286 -11.490 1.00 0.00 C ATOM 1105 C LEU A 72 -18.083 -1.566 -11.390 1.00 0.00 C ATOM 1106 O LEU A 72 -17.619 -2.186 -10.432 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.282 -2.451 -12.190 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.801 -2.515 -12.024 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.455 -3.030 -13.297 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -22.171 -3.395 -10.839 1.00 0.00 C ATOM 0 H LEU A 72 -20.088 -0.163 -13.187 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.978 -1.182 -10.481 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.055 -2.400 -13.255 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.856 -3.383 -11.818 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.170 -1.507 -11.832 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.536 -3.069 -13.161 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.217 -2.361 -14.124 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.081 -4.029 -13.520 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -23.256 -3.429 -10.736 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.790 -4.403 -11.002 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.733 -2.984 -9.930 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.332 -1.105 -12.384 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.887 -1.303 -12.408 1.00 0.00 C ATOM 1124 C LEU A 73 -15.214 -0.543 -11.270 1.00 0.00 C ATOM 1125 O LEU A 73 -14.389 -1.096 -10.543 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.312 -0.849 -13.751 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.124 -1.941 -14.804 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.819 -1.327 -16.161 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -14.016 -2.898 -14.389 1.00 0.00 C ATOM 0 H LEU A 73 -17.700 -0.591 -13.185 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.689 -2.367 -12.276 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.968 -0.083 -14.164 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.346 -0.377 -13.569 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.053 -2.505 -14.884 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.688 -2.120 -16.898 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.645 -0.683 -16.463 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.905 -0.737 -16.096 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.897 -3.669 -15.151 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.082 -2.347 -14.280 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.275 -3.364 -13.439 1.00 0.00 H new