USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 549 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 57 CYS SG : rot 160:sc= 0.0488 USER MOD Set 1.2: A 59 HIS : no HD1:sc= 0 X(o=-9.6,f=-9.8) USER MOD Set 1.3: A 60 CYS SG : rot -111:sc= -1.27 USER MOD Set 1.4: A 73 HIS : no HE2:sc= -5.97! C(o=-9.6!,f=-14!) USER MOD Set 1.5: A 74 THR OG1 : rot -75:sc= -0.0915 USER MOD Set 1.6: A 78 HIS : no HE2:sc= -2.28 K(o=-9.6,f=-10) USER MOD Set 2.1: A 52 GLN : amide:sc= -1.78 K(o=-1.8,f=-3.9!) USER MOD Set 2.2: A 63 GLN : amide:sc=-0.00695 K(o=-1.8,f=-2.3) USER MOD Set 3.1: A 27 CYS SG : rot 90:sc= 0.236 USER MOD Set 3.2: A 30 CYS SG : rot -95:sc= -2.05! USER MOD Set 3.3: A 44 HIS : no HD1:sc= -3.61! C(o=-4.7!,f=-4.6!) USER MOD Set 3.4: A 48 CYS SG : rot 168:sc= 0.756 USER MOD Single : A 14 GLN : amide:sc=-0.00309 X(o=-0.0031,f=-0.32) USER MOD Single : A 16 GLN : amide:sc= -0.0894 K(o=-0.089,f=-0.78) USER MOD Single : A 20 HIS : no HD1:sc= -4.35! C(o=-4.3!,f=-4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -6.45! C(o=-6.5!,f=-7.9!) USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.948 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 14:sc= 0.462 USER MOD Single : A 42 LYS NZ :NH3+ -133:sc= 1.23 (180deg=0.151) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.101 (180deg=-0.564) USER MOD Single : A 45 MET CE :methyl -177:sc= -2.12 (180deg=-2.19) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.247 X(o=-0.25,f=0.2) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0429) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.791 X(o=-0.79,f=-1.2) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -2.476 14.378 -6.339 1.00 0.00 N ATOM 95 CA PRO A 11 -3.105 15.345 -7.243 1.00 0.00 C ATOM 96 C PRO A 11 -2.104 16.350 -7.804 1.00 0.00 C ATOM 97 O PRO A 11 -1.865 17.400 -7.208 1.00 0.00 O ATOM 98 CB PRO A 11 -4.129 16.052 -6.352 1.00 0.00 C ATOM 99 CG PRO A 11 -3.591 15.907 -4.970 1.00 0.00 C ATOM 100 CD PRO A 11 -2.882 14.582 -4.938 1.00 0.00 C ATOM 0 HA PRO A 11 -3.542 14.861 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.236 17.101 -6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.115 15.596 -6.443 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.907 16.721 -4.730 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.394 15.938 -4.234 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.021 14.603 -4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.537 13.784 -4.589 1.00 0.00 H new ATOM 108 N GLU A 12 -1.522 16.020 -8.953 1.00 0.00 N ATOM 109 CA GLU A 12 -0.547 16.895 -9.593 1.00 0.00 C ATOM 110 C GLU A 12 0.497 17.374 -8.588 1.00 0.00 C ATOM 111 O GLU A 12 0.893 18.539 -8.597 1.00 0.00 O ATOM 112 CB GLU A 12 -1.247 18.098 -10.230 1.00 0.00 C ATOM 113 CG GLU A 12 -1.781 17.822 -11.625 1.00 0.00 C ATOM 114 CD GLU A 12 -2.800 18.852 -12.074 1.00 0.00 C ATOM 115 OE1 GLU A 12 -2.392 19.988 -12.393 1.00 0.00 O ATOM 116 OE2 GLU A 12 -4.004 18.522 -12.106 1.00 0.00 O ATOM 0 H GLU A 12 -1.709 15.154 -9.459 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.042 16.324 -10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.072 18.409 -9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.547 18.932 -10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.951 17.806 -12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.237 16.832 -11.646 1.00 0.00 H new ATOM 123 N GLU A 13 0.936 16.466 -7.722 1.00 0.00 N ATOM 124 CA GLU A 13 1.932 16.797 -6.709 1.00 0.00 C ATOM 125 C GLU A 13 3.337 16.450 -7.194 1.00 0.00 C ATOM 126 O GLU A 13 4.203 17.319 -7.292 1.00 0.00 O ATOM 127 CB GLU A 13 1.633 16.053 -5.406 1.00 0.00 C ATOM 128 CG GLU A 13 0.430 16.600 -4.656 1.00 0.00 C ATOM 129 CD GLU A 13 0.741 17.885 -3.913 1.00 0.00 C ATOM 130 OE1 GLU A 13 1.645 17.867 -3.051 1.00 0.00 O ATOM 131 OE2 GLU A 13 0.080 18.907 -4.192 1.00 0.00 O ATOM 0 H GLU A 13 0.618 15.497 -7.701 1.00 0.00 H new ATOM 0 HA GLU A 13 1.884 17.870 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.463 15.000 -5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.508 16.105 -4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.382 16.780 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.077 15.851 -3.947 1.00 0.00 H new ATOM 138 N GLN A 14 3.554 15.174 -7.496 1.00 0.00 N ATOM 139 CA GLN A 14 4.854 14.712 -7.969 1.00 0.00 C ATOM 140 C GLN A 14 5.034 15.020 -9.452 1.00 0.00 C ATOM 141 O GLN A 14 6.130 15.365 -9.895 1.00 0.00 O ATOM 142 CB GLN A 14 5.004 13.209 -7.727 1.00 0.00 C ATOM 143 CG GLN A 14 5.246 12.849 -6.270 1.00 0.00 C ATOM 144 CD GLN A 14 5.689 11.410 -6.090 1.00 0.00 C ATOM 145 OE1 GLN A 14 6.570 10.927 -6.801 1.00 0.00 O ATOM 146 NE2 GLN A 14 5.079 10.718 -5.136 1.00 0.00 N ATOM 0 H GLN A 14 2.847 14.442 -7.422 1.00 0.00 H new ATOM 0 HA GLN A 14 5.625 15.242 -7.410 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.103 12.702 -8.073 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.832 12.833 -8.328 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.005 13.513 -5.857 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.331 13.017 -5.701 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.354 11.159 -4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.335 9.745 -4.968 1.00 0.00 H new ATOM 155 N TRP A 15 3.953 14.894 -10.213 1.00 0.00 N ATOM 156 CA TRP A 15 3.993 15.159 -11.647 1.00 0.00 C ATOM 157 C TRP A 15 4.432 16.592 -11.923 1.00 0.00 C ATOM 158 O TRP A 15 5.264 16.837 -12.797 1.00 0.00 O ATOM 159 CB TRP A 15 2.620 14.904 -12.271 1.00 0.00 C ATOM 160 CG TRP A 15 2.277 13.448 -12.378 1.00 0.00 C ATOM 161 CD1 TRP A 15 3.146 12.413 -12.572 1.00 0.00 C ATOM 162 CD2 TRP A 15 0.971 12.868 -12.298 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.459 11.224 -12.618 1.00 0.00 N ATOM 164 CE2 TRP A 15 1.123 11.476 -12.451 1.00 0.00 C ATOM 165 CE3 TRP A 15 -0.313 13.388 -12.109 1.00 0.00 C ATOM 166 CZ2 TRP A 15 0.040 10.601 -12.423 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -1.386 12.519 -12.082 1.00 0.00 C ATOM 168 CH2 TRP A 15 -1.205 11.138 -12.237 1.00 0.00 C ATOM 0 H TRP A 15 3.038 14.610 -9.862 1.00 0.00 H new ATOM 0 HA TRP A 15 4.720 14.483 -12.097 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.859 15.406 -11.674 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.592 15.351 -13.265 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.216 12.514 -12.674 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.876 10.303 -12.754 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.463 14.450 -11.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.178 9.537 -12.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.382 12.911 -11.939 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.065 10.485 -12.209 1.00 0.00 H new ATOM 179 N GLN A 16 3.870 17.534 -11.174 1.00 0.00 N ATOM 180 CA GLN A 16 4.205 18.944 -11.340 1.00 0.00 C ATOM 181 C GLN A 16 5.633 19.221 -10.884 1.00 0.00 C ATOM 182 O GLN A 16 6.299 20.117 -11.405 1.00 0.00 O ATOM 183 CB GLN A 16 3.227 19.819 -10.554 1.00 0.00 C ATOM 184 CG GLN A 16 3.495 19.837 -9.058 1.00 0.00 C ATOM 185 CD GLN A 16 2.919 21.063 -8.377 1.00 0.00 C ATOM 186 OE1 GLN A 16 2.984 22.171 -8.910 1.00 0.00 O ATOM 187 NE2 GLN A 16 2.350 20.871 -7.193 1.00 0.00 N ATOM 0 H GLN A 16 3.180 17.347 -10.446 1.00 0.00 H new ATOM 0 HA GLN A 16 4.128 19.187 -12.400 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.277 20.839 -10.936 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.212 19.462 -10.729 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.070 18.941 -8.606 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.571 19.801 -8.885 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.318 19.935 -6.788 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.945 21.659 -6.688 1.00 0.00 H new ATOM 196 N ARG A 17 6.099 18.447 -9.909 1.00 0.00 N ATOM 197 CA ARG A 17 7.448 18.611 -9.382 1.00 0.00 C ATOM 198 C ARG A 17 8.487 18.460 -10.489 1.00 0.00 C ATOM 199 O ARG A 17 9.499 19.160 -10.505 1.00 0.00 O ATOM 200 CB ARG A 17 7.714 17.588 -8.275 1.00 0.00 C ATOM 201 CG ARG A 17 7.400 18.105 -6.881 1.00 0.00 C ATOM 202 CD ARG A 17 8.283 17.447 -5.832 1.00 0.00 C ATOM 203 NE ARG A 17 9.631 18.007 -5.821 1.00 0.00 N ATOM 204 CZ ARG A 17 9.974 19.085 -5.125 1.00 0.00 C ATOM 205 NH1 ARG A 17 9.071 19.716 -4.386 1.00 0.00 N ATOM 206 NH2 ARG A 17 11.222 19.534 -5.166 1.00 0.00 N ATOM 0 H ARG A 17 5.562 17.700 -9.468 1.00 0.00 H new ATOM 0 HA ARG A 17 7.529 19.615 -8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.118 16.696 -8.465 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.761 17.286 -8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.541 19.185 -6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.352 17.914 -6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.831 17.572 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.337 16.376 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 17 10.349 17.545 -6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.111 19.374 -4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.337 20.544 -3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.919 19.051 -5.733 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.484 20.362 -4.631 1.00 0.00 H new ATOM 220 N ALA A 18 8.228 17.541 -11.414 1.00 0.00 N ATOM 221 CA ALA A 18 9.139 17.298 -12.526 1.00 0.00 C ATOM 222 C ALA A 18 8.802 18.190 -13.716 1.00 0.00 C ATOM 223 O ALA A 18 9.687 18.592 -14.472 1.00 0.00 O ATOM 224 CB ALA A 18 9.098 15.833 -12.933 1.00 0.00 C ATOM 0 H ALA A 18 7.395 16.953 -11.415 1.00 0.00 H new ATOM 0 HA ALA A 18 10.149 17.543 -12.196 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.783 15.667 -13.764 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.396 15.212 -12.088 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.086 15.569 -13.239 1.00 0.00 H new ATOM 230 N ILE A 19 7.518 18.493 -13.877 1.00 0.00 N ATOM 231 CA ILE A 19 7.065 19.337 -14.976 1.00 0.00 C ATOM 232 C ILE A 19 7.722 20.712 -14.920 1.00 0.00 C ATOM 233 O ILE A 19 8.006 21.319 -15.953 1.00 0.00 O ATOM 234 CB ILE A 19 5.535 19.510 -14.959 1.00 0.00 C ATOM 235 CG1 ILE A 19 4.848 18.199 -15.348 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.119 20.632 -15.898 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.442 18.070 -14.804 1.00 0.00 C ATOM 0 H ILE A 19 6.774 18.167 -13.261 1.00 0.00 H new ATOM 0 HA ILE A 19 7.355 18.836 -15.899 1.00 0.00 H new ATOM 0 HB ILE A 19 5.224 19.775 -13.948 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.817 18.123 -16.435 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.447 17.363 -14.987 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.035 20.742 -15.875 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.585 21.564 -15.580 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.438 20.394 -16.913 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.016 17.117 -15.119 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.468 18.114 -13.715 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.828 18.886 -15.186 1.00 0.00 H new ATOM 249 N HIS A 20 7.962 21.198 -13.706 1.00 0.00 N ATOM 250 CA HIS A 20 8.588 22.501 -13.515 1.00 0.00 C ATOM 251 C HIS A 20 10.105 22.366 -13.412 1.00 0.00 C ATOM 252 O HIS A 20 10.847 23.196 -13.935 1.00 0.00 O ATOM 253 CB HIS A 20 8.039 23.175 -12.257 1.00 0.00 C ATOM 254 CG HIS A 20 8.833 22.877 -11.022 1.00 0.00 C ATOM 255 ND1 HIS A 20 9.770 23.745 -10.503 1.00 0.00 N ATOM 256 CD2 HIS A 20 8.823 21.801 -10.202 1.00 0.00 C ATOM 257 CE1 HIS A 20 10.305 23.214 -9.418 1.00 0.00 C ATOM 258 NE2 HIS A 20 9.747 22.034 -9.213 1.00 0.00 N ATOM 0 H HIS A 20 7.733 20.709 -12.841 1.00 0.00 H new ATOM 0 HA HIS A 20 8.353 23.119 -14.382 1.00 0.00 H new ATOM 0 HB2 HIS A 20 8.017 24.254 -12.413 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.009 22.854 -12.103 1.00 0.00 H new ATOM 0 HD2 HIS A 20 8.204 20.922 -10.306 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.069 23.667 -8.803 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.967 21.399 -8.445 1.00 0.00 H new ATOM 266 N GLU A 21 10.556 21.315 -12.734 1.00 0.00 N ATOM 267 CA GLU A 21 11.983 21.073 -12.562 1.00 0.00 C ATOM 268 C GLU A 21 12.650 20.773 -13.902 1.00 0.00 C ATOM 269 O GLU A 21 13.602 21.445 -14.298 1.00 0.00 O ATOM 270 CB GLU A 21 12.214 19.911 -11.594 1.00 0.00 C ATOM 271 CG GLU A 21 12.275 20.336 -10.136 1.00 0.00 C ATOM 272 CD GLU A 21 13.087 19.380 -9.284 1.00 0.00 C ATOM 273 OE1 GLU A 21 12.590 18.268 -9.004 1.00 0.00 O ATOM 274 OE2 GLU A 21 14.217 19.743 -8.896 1.00 0.00 O ATOM 0 H GLU A 21 9.954 20.618 -12.295 1.00 0.00 H new ATOM 0 HA GLU A 21 12.430 21.976 -12.147 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.414 19.181 -11.718 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.146 19.410 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.709 21.334 -10.070 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.262 20.402 -9.738 1.00 0.00 H new ATOM 281 N ARG A 22 12.142 19.759 -14.594 1.00 0.00 N ATOM 282 CA ARG A 22 12.688 19.368 -15.888 1.00 0.00 C ATOM 283 C ARG A 22 11.947 20.067 -17.025 1.00 0.00 C ATOM 284 O ARG A 22 12.485 20.967 -17.668 1.00 0.00 O ATOM 285 CB ARG A 22 12.600 17.851 -16.066 1.00 0.00 C ATOM 286 CG ARG A 22 13.428 17.071 -15.057 1.00 0.00 C ATOM 287 CD ARG A 22 13.405 15.579 -15.352 1.00 0.00 C ATOM 288 NE ARG A 22 14.448 14.861 -14.625 1.00 0.00 N ATOM 289 CZ ARG A 22 14.943 13.691 -15.013 1.00 0.00 C ATOM 290 NH1 ARG A 22 14.491 13.110 -16.116 1.00 0.00 N ATOM 291 NH2 ARG A 22 15.891 13.100 -14.298 1.00 0.00 N ATOM 0 H ARG A 22 11.353 19.193 -14.280 1.00 0.00 H new ATOM 0 HA ARG A 22 13.735 19.671 -15.918 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.558 17.544 -15.983 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.930 17.592 -17.072 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.457 17.430 -15.073 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.044 17.250 -14.053 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.430 15.172 -15.084 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.534 15.419 -16.423 1.00 0.00 H new ATOM 0 HE ARG A 22 14.817 15.281 -13.772 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.762 13.562 -16.668 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.872 12.212 -16.412 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.241 13.544 -13.449 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.270 12.202 -14.597 1.00 0.00 H new ATOM 305 N GLY A 23 10.710 19.645 -17.266 1.00 0.00 N ATOM 306 CA GLY A 23 9.916 20.241 -18.325 1.00 0.00 C ATOM 307 C GLY A 23 8.493 19.718 -18.347 1.00 0.00 C ATOM 308 O GLY A 23 7.542 20.494 -18.429 1.00 0.00 O ATOM 0 H GLY A 23 10.243 18.901 -16.747 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.900 21.323 -18.198 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.389 20.040 -19.286 1.00 0.00 H new ATOM 312 N GLU A 24 8.348 18.398 -18.276 1.00 0.00 N ATOM 313 CA GLU A 24 7.031 17.774 -18.292 1.00 0.00 C ATOM 314 C GLU A 24 7.100 16.345 -17.761 1.00 0.00 C ATOM 315 O GLU A 24 8.180 15.833 -17.465 1.00 0.00 O ATOM 316 CB GLU A 24 6.458 17.775 -19.711 1.00 0.00 C ATOM 317 CG GLU A 24 7.279 16.964 -20.699 1.00 0.00 C ATOM 318 CD GLU A 24 8.600 17.625 -21.041 1.00 0.00 C ATOM 319 OE1 GLU A 24 9.597 17.355 -20.338 1.00 0.00 O ATOM 320 OE2 GLU A 24 8.638 18.413 -22.009 1.00 0.00 O ATOM 0 H GLU A 24 9.126 17.742 -18.207 1.00 0.00 H new ATOM 0 HA GLU A 24 6.375 18.354 -17.643 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.443 17.379 -19.684 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.390 18.803 -20.066 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.469 15.975 -20.282 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.702 16.819 -21.612 1.00 0.00 H new ATOM 327 N ALA A 25 5.940 15.707 -17.642 1.00 0.00 N ATOM 328 CA ALA A 25 5.869 14.337 -17.149 1.00 0.00 C ATOM 329 C ALA A 25 4.977 13.478 -18.039 1.00 0.00 C ATOM 330 O ALA A 25 3.755 13.477 -17.895 1.00 0.00 O ATOM 331 CB ALA A 25 5.360 14.319 -15.715 1.00 0.00 C ATOM 0 H ALA A 25 5.037 16.117 -17.880 1.00 0.00 H new ATOM 0 HA ALA A 25 6.874 13.916 -17.173 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.312 13.290 -15.359 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.038 14.891 -15.081 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.365 14.763 -15.676 1.00 0.00 H new ATOM 337 N VAL A 26 5.597 12.749 -18.962 1.00 0.00 N ATOM 338 CA VAL A 26 4.860 11.886 -19.876 1.00 0.00 C ATOM 339 C VAL A 26 4.422 10.599 -19.185 1.00 0.00 C ATOM 340 O VAL A 26 4.819 10.324 -18.052 1.00 0.00 O ATOM 341 CB VAL A 26 5.704 11.528 -21.114 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.042 12.780 -21.910 1.00 0.00 C ATOM 343 CG2 VAL A 26 6.969 10.792 -20.701 1.00 0.00 C ATOM 0 H VAL A 26 6.608 12.739 -19.096 1.00 0.00 H new ATOM 0 HA VAL A 26 3.979 12.443 -20.194 1.00 0.00 H new ATOM 0 HB VAL A 26 5.118 10.867 -21.753 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.638 12.508 -22.781 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.121 13.263 -22.238 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.609 13.468 -21.283 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.553 10.547 -21.588 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.560 11.427 -20.041 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.701 9.874 -20.178 1.00 0.00 H new ATOM 353 N CYS A 27 3.602 9.813 -19.874 1.00 0.00 N ATOM 354 CA CYS A 27 3.109 8.555 -19.328 1.00 0.00 C ATOM 355 C CYS A 27 4.267 7.648 -18.920 1.00 0.00 C ATOM 356 O CYS A 27 5.039 7.173 -19.753 1.00 0.00 O ATOM 357 CB CYS A 27 2.225 7.841 -20.352 1.00 0.00 C ATOM 358 SG CYS A 27 1.067 6.638 -19.625 1.00 0.00 S ATOM 0 H CYS A 27 3.265 10.026 -20.813 1.00 0.00 H new ATOM 0 HA CYS A 27 2.517 8.781 -18.441 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.656 8.587 -20.907 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.863 7.326 -21.071 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.052 7.233 -19.336 1.00 0.00 H new ATOM 363 N PRO A 28 4.392 7.402 -17.607 1.00 0.00 N ATOM 364 CA PRO A 28 5.452 6.551 -17.058 1.00 0.00 C ATOM 365 C PRO A 28 5.258 5.081 -17.415 1.00 0.00 C ATOM 366 O PRO A 28 5.934 4.205 -16.874 1.00 0.00 O ATOM 367 CB PRO A 28 5.324 6.756 -15.547 1.00 0.00 C ATOM 368 CG PRO A 28 3.904 7.152 -15.337 1.00 0.00 C ATOM 369 CD PRO A 28 3.507 7.936 -16.558 1.00 0.00 C ATOM 0 HA PRO A 28 6.432 6.813 -17.456 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.565 5.843 -15.002 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.007 7.528 -15.193 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.269 6.275 -15.213 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.796 7.754 -14.435 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.456 7.789 -16.806 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.654 9.006 -16.414 1.00 0.00 H new ATOM 377 N THR A 29 4.330 4.816 -18.330 1.00 0.00 N ATOM 378 CA THR A 29 4.046 3.453 -18.758 1.00 0.00 C ATOM 379 C THR A 29 4.465 3.233 -20.207 1.00 0.00 C ATOM 380 O THR A 29 5.141 2.255 -20.528 1.00 0.00 O ATOM 381 CB THR A 29 2.550 3.117 -18.612 1.00 0.00 C ATOM 382 OG1 THR A 29 2.155 3.226 -17.240 1.00 0.00 O ATOM 383 CG2 THR A 29 2.258 1.713 -19.119 1.00 0.00 C ATOM 0 H THR A 29 3.762 5.529 -18.789 1.00 0.00 H new ATOM 0 HA THR A 29 4.623 2.793 -18.111 1.00 0.00 H new ATOM 0 HB THR A 29 1.981 3.828 -19.211 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.202 3.013 -17.156 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.195 1.499 -19.005 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.532 1.642 -20.172 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.837 0.991 -18.544 1.00 0.00 H new ATOM 391 N CYS A 30 4.061 4.150 -21.080 1.00 0.00 N ATOM 392 CA CYS A 30 4.395 4.057 -22.497 1.00 0.00 C ATOM 393 C CYS A 30 5.118 5.316 -22.968 1.00 0.00 C ATOM 394 O CYS A 30 5.785 5.310 -24.002 1.00 0.00 O ATOM 395 CB CYS A 30 3.128 3.842 -23.327 1.00 0.00 C ATOM 396 SG CYS A 30 1.699 4.828 -22.773 1.00 0.00 S ATOM 0 H CYS A 30 3.502 4.966 -20.831 1.00 0.00 H new ATOM 0 HA CYS A 30 5.060 3.204 -22.634 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.343 4.086 -24.367 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.861 2.786 -23.296 1.00 0.00 H new ATOM 0 HG CYS A 30 0.960 4.113 -21.978 1.00 0.00 H new ATOM 401 N ASN A 31 4.981 6.393 -22.202 1.00 0.00 N ATOM 402 CA ASN A 31 5.621 7.659 -22.541 1.00 0.00 C ATOM 403 C ASN A 31 5.006 8.258 -23.803 1.00 0.00 C ATOM 404 O ASN A 31 5.719 8.662 -24.722 1.00 0.00 O ATOM 405 CB ASN A 31 7.124 7.457 -22.739 1.00 0.00 C ATOM 406 CG ASN A 31 7.880 8.770 -22.802 1.00 0.00 C ATOM 407 OD1 ASN A 31 7.425 9.732 -23.421 1.00 0.00 O ATOM 408 ND2 ASN A 31 9.042 8.815 -22.162 1.00 0.00 N ATOM 0 H ASN A 31 4.433 6.415 -21.342 1.00 0.00 H new ATOM 0 HA ASN A 31 5.460 8.352 -21.715 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.518 6.853 -21.921 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.295 6.898 -23.659 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.596 9.671 -22.171 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.381 7.993 -21.661 1.00 0.00 H new ATOM 415 N VAL A 32 3.679 8.312 -23.840 1.00 0.00 N ATOM 416 CA VAL A 32 2.968 8.863 -24.988 1.00 0.00 C ATOM 417 C VAL A 32 1.642 9.486 -24.565 1.00 0.00 C ATOM 418 O VAL A 32 0.708 8.782 -24.181 1.00 0.00 O ATOM 419 CB VAL A 32 2.700 7.784 -26.053 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.002 7.331 -26.694 1.00 0.00 C ATOM 421 CG2 VAL A 32 1.959 6.604 -25.441 1.00 0.00 C ATOM 0 H VAL A 32 3.074 7.981 -23.088 1.00 0.00 H new ATOM 0 HA VAL A 32 3.608 9.634 -25.417 1.00 0.00 H new ATOM 0 HB VAL A 32 2.071 8.215 -26.831 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.792 6.568 -27.444 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.489 8.183 -27.169 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.659 6.917 -25.929 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.778 5.851 -26.208 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.561 6.171 -24.642 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.007 6.944 -25.034 1.00 0.00 H new ATOM 431 N VAL A 33 1.566 10.811 -24.640 1.00 0.00 N ATOM 432 CA VAL A 33 0.354 11.529 -24.267 1.00 0.00 C ATOM 433 C VAL A 33 0.406 12.978 -24.741 1.00 0.00 C ATOM 434 O VAL A 33 1.341 13.384 -25.431 1.00 0.00 O ATOM 435 CB VAL A 33 0.134 11.506 -22.743 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.780 10.355 -22.353 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.466 11.411 -22.015 1.00 0.00 C ATOM 0 H VAL A 33 2.330 11.409 -24.956 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.478 11.020 -24.754 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.349 12.437 -22.448 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.924 10.355 -21.273 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.744 10.472 -22.848 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.328 9.412 -22.659 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.292 11.396 -20.939 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.979 10.496 -22.313 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.083 12.273 -22.271 1.00 0.00 H new ATOM 447 N THR A 34 -0.606 13.754 -24.364 1.00 0.00 N ATOM 448 CA THR A 34 -0.676 15.158 -24.750 1.00 0.00 C ATOM 449 C THR A 34 0.685 15.833 -24.621 1.00 0.00 C ATOM 450 O THR A 34 1.559 15.355 -23.898 1.00 0.00 O ATOM 451 CB THR A 34 -1.700 15.926 -23.893 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.981 15.290 -23.973 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.816 17.371 -24.353 1.00 0.00 C ATOM 0 H THR A 34 -1.388 13.434 -23.792 1.00 0.00 H new ATOM 0 HA THR A 34 -0.994 15.183 -25.792 1.00 0.00 H new ATOM 0 HB THR A 34 -1.354 15.917 -22.859 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.679 15.925 -23.707 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.545 17.893 -23.733 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.846 17.860 -24.263 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.140 17.397 -25.393 1.00 0.00 H new ATOM 461 N ARG A 35 0.857 16.946 -25.326 1.00 0.00 N ATOM 462 CA ARG A 35 2.113 17.686 -25.291 1.00 0.00 C ATOM 463 C ARG A 35 2.461 18.098 -23.863 1.00 0.00 C ATOM 464 O ARG A 35 3.576 17.871 -23.394 1.00 0.00 O ATOM 465 CB ARG A 35 2.025 18.925 -26.183 1.00 0.00 C ATOM 466 CG ARG A 35 3.372 19.399 -26.703 1.00 0.00 C ATOM 467 CD ARG A 35 3.843 18.557 -27.878 1.00 0.00 C ATOM 468 NE ARG A 35 3.406 19.110 -29.157 1.00 0.00 N ATOM 469 CZ ARG A 35 4.064 20.063 -29.809 1.00 0.00 C ATOM 470 NH1 ARG A 35 5.182 20.565 -29.305 1.00 0.00 N ATOM 471 NH2 ARG A 35 3.603 20.514 -30.969 1.00 0.00 N ATOM 0 H ARG A 35 0.143 17.355 -25.928 1.00 0.00 H new ATOM 0 HA ARG A 35 2.901 17.033 -25.665 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.375 18.707 -27.030 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.557 19.734 -25.622 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.299 20.443 -27.008 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.109 19.352 -25.902 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.931 18.491 -27.864 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.461 17.542 -27.773 1.00 0.00 H new ATOM 0 HE ARG A 35 2.549 18.745 -29.573 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.540 20.220 -28.414 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.685 21.296 -29.808 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.743 20.129 -31.360 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.108 21.245 -31.469 1.00 0.00 H new ATOM 485 N LYS A 36 1.499 18.705 -23.177 1.00 0.00 N ATOM 486 CA LYS A 36 1.701 19.149 -21.803 1.00 0.00 C ATOM 487 C LYS A 36 1.731 17.961 -20.846 1.00 0.00 C ATOM 488 O LYS A 36 2.291 18.044 -19.753 1.00 0.00 O ATOM 489 CB LYS A 36 0.594 20.121 -21.391 1.00 0.00 C ATOM 490 CG LYS A 36 0.851 21.554 -21.823 1.00 0.00 C ATOM 491 CD LYS A 36 -0.406 22.402 -21.721 1.00 0.00 C ATOM 492 CE LYS A 36 -0.394 23.541 -22.728 1.00 0.00 C ATOM 493 NZ LYS A 36 -1.150 24.725 -22.236 1.00 0.00 N ATOM 0 H LYS A 36 0.570 18.901 -23.551 1.00 0.00 H new ATOM 0 HA LYS A 36 2.662 19.660 -21.751 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.351 19.785 -21.819 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.481 20.092 -20.307 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.635 21.987 -21.201 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.216 21.565 -22.850 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.283 21.776 -21.889 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.492 22.807 -20.713 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.636 23.829 -22.938 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.827 23.199 -23.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.118 25.479 -22.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.139 24.457 -22.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.722 25.068 -21.352 1.00 0.00 H new ATOM 507 N THR A 37 1.125 16.854 -21.265 1.00 0.00 N ATOM 508 CA THR A 37 1.082 15.649 -20.446 1.00 0.00 C ATOM 509 C THR A 37 0.601 15.961 -19.034 1.00 0.00 C ATOM 510 O THR A 37 1.083 15.381 -18.060 1.00 0.00 O ATOM 511 CB THR A 37 2.464 14.974 -20.368 1.00 0.00 C ATOM 512 OG1 THR A 37 3.403 15.851 -19.735 1.00 0.00 O ATOM 513 CG2 THR A 37 2.965 14.604 -21.756 1.00 0.00 C ATOM 0 H THR A 37 0.657 16.767 -22.167 1.00 0.00 H new ATOM 0 HA THR A 37 0.379 14.967 -20.924 1.00 0.00 H new ATOM 0 HB THR A 37 2.365 14.062 -19.779 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.922 16.580 -19.290 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.943 14.129 -21.675 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.263 13.913 -22.224 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.048 15.504 -22.365 1.00 0.00 H new ATOM 521 N LEU A 38 -0.353 16.880 -18.929 1.00 0.00 N ATOM 522 CA LEU A 38 -0.901 17.269 -17.634 1.00 0.00 C ATOM 523 C LEU A 38 -2.346 16.801 -17.491 1.00 0.00 C ATOM 524 O LEU A 38 -2.679 16.053 -16.572 1.00 0.00 O ATOM 525 CB LEU A 38 -0.825 18.787 -17.461 1.00 0.00 C ATOM 526 CG LEU A 38 -0.632 19.290 -16.030 1.00 0.00 C ATOM 527 CD1 LEU A 38 -1.751 18.787 -15.132 1.00 0.00 C ATOM 528 CD2 LEU A 38 0.723 18.858 -15.490 1.00 0.00 C ATOM 0 H LEU A 38 -0.763 17.369 -19.725 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.305 16.791 -16.857 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.003 19.161 -18.071 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.741 19.224 -17.858 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.665 20.379 -16.041 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.597 19.155 -14.118 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.709 19.148 -15.507 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.751 17.697 -15.126 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.842 19.225 -14.471 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.786 17.770 -15.493 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.513 19.269 -16.118 1.00 0.00 H new ATOM 540 N VAL A 39 -3.199 17.245 -18.409 1.00 0.00 N ATOM 541 CA VAL A 39 -4.608 16.869 -18.388 1.00 0.00 C ATOM 542 C VAL A 39 -4.849 15.596 -19.191 1.00 0.00 C ATOM 543 O VAL A 39 -5.711 14.788 -18.849 1.00 0.00 O ATOM 544 CB VAL A 39 -5.497 17.994 -18.950 1.00 0.00 C ATOM 545 CG1 VAL A 39 -5.469 19.206 -18.032 1.00 0.00 C ATOM 546 CG2 VAL A 39 -5.055 18.369 -20.356 1.00 0.00 C ATOM 0 H VAL A 39 -2.939 17.865 -19.176 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.873 16.693 -17.346 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.524 17.631 -19.001 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.103 19.990 -18.446 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.837 18.924 -17.046 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.446 19.574 -17.946 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.694 19.165 -20.738 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.021 18.713 -20.333 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.133 17.498 -21.006 1.00 0.00 H new ATOM 556 N GLY A 40 -4.080 15.423 -20.262 1.00 0.00 N ATOM 557 CA GLY A 40 -4.226 14.246 -21.097 1.00 0.00 C ATOM 558 C GLY A 40 -3.653 13.001 -20.449 1.00 0.00 C ATOM 559 O GLY A 40 -4.113 11.888 -20.711 1.00 0.00 O ATOM 0 H GLY A 40 -3.359 16.077 -20.566 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.282 14.086 -21.313 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.728 14.417 -22.051 1.00 0.00 H new ATOM 563 N LEU A 41 -2.647 13.186 -19.602 1.00 0.00 N ATOM 564 CA LEU A 41 -2.010 12.068 -18.915 1.00 0.00 C ATOM 565 C LEU A 41 -3.015 11.317 -18.049 1.00 0.00 C ATOM 566 O LEU A 41 -2.893 10.109 -17.843 1.00 0.00 O ATOM 567 CB LEU A 41 -0.850 12.569 -18.053 1.00 0.00 C ATOM 568 CG LEU A 41 -0.271 11.563 -17.057 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.558 10.513 -17.780 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.567 12.275 -16.005 1.00 0.00 C ATOM 0 H LEU A 41 -2.255 14.100 -19.374 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.625 11.382 -19.669 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.048 12.898 -18.714 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.187 13.445 -17.499 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.098 11.061 -16.555 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.962 9.806 -17.055 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.071 9.981 -18.494 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.378 10.998 -18.309 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.971 11.543 -15.305 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.387 12.804 -16.490 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.056 12.988 -15.465 1.00 0.00 H new ATOM 582 N LYS A 42 -4.010 12.038 -17.545 1.00 0.00 N ATOM 583 CA LYS A 42 -5.040 11.440 -16.704 1.00 0.00 C ATOM 584 C LYS A 42 -6.060 10.683 -17.548 1.00 0.00 C ATOM 585 O LYS A 42 -6.220 9.470 -17.406 1.00 0.00 O ATOM 586 CB LYS A 42 -5.745 12.520 -15.880 1.00 0.00 C ATOM 587 CG LYS A 42 -4.835 13.218 -14.885 1.00 0.00 C ATOM 588 CD LYS A 42 -5.499 14.448 -14.288 1.00 0.00 C ATOM 589 CE LYS A 42 -4.560 15.187 -13.348 1.00 0.00 C ATOM 590 NZ LYS A 42 -5.304 16.029 -12.370 1.00 0.00 N ATOM 0 H LYS A 42 -4.125 13.039 -17.704 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.557 10.733 -16.029 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.167 13.263 -16.556 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.579 12.068 -15.342 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.567 12.525 -14.087 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.908 13.508 -15.380 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.815 15.117 -15.089 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.398 14.151 -13.747 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.942 14.467 -12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.885 15.816 -13.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.875 16.976 -12.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.297 16.111 -12.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.260 15.589 -11.429 1.00 0.00 H new ATOM 604 N LYS A 43 -6.747 11.404 -18.427 1.00 0.00 N ATOM 605 CA LYS A 43 -7.749 10.800 -19.296 1.00 0.00 C ATOM 606 C LYS A 43 -7.136 9.690 -20.144 1.00 0.00 C ATOM 607 O LYS A 43 -7.846 8.827 -20.662 1.00 0.00 O ATOM 608 CB LYS A 43 -8.375 11.863 -20.203 1.00 0.00 C ATOM 609 CG LYS A 43 -9.338 12.788 -19.480 1.00 0.00 C ATOM 610 CD LYS A 43 -8.617 13.979 -18.871 1.00 0.00 C ATOM 611 CE LYS A 43 -9.502 15.215 -18.848 1.00 0.00 C ATOM 612 NZ LYS A 43 -9.826 15.691 -20.221 1.00 0.00 N ATOM 0 H LYS A 43 -6.628 12.409 -18.556 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.525 10.365 -18.666 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.581 12.459 -20.653 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.903 11.368 -21.018 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.099 13.140 -20.177 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.855 12.235 -18.696 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.304 13.736 -17.856 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.712 14.189 -19.442 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.425 14.990 -18.314 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.001 16.010 -18.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.995 16.717 -20.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.030 15.483 -20.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.680 15.206 -20.564 1.00 0.00 H new ATOM 626 N HIS A 44 -5.815 9.718 -20.282 1.00 0.00 N ATOM 627 CA HIS A 44 -5.106 8.712 -21.065 1.00 0.00 C ATOM 628 C HIS A 44 -4.855 7.455 -20.237 1.00 0.00 C ATOM 629 O HIS A 44 -5.357 6.379 -20.558 1.00 0.00 O ATOM 630 CB HIS A 44 -3.779 9.274 -21.575 1.00 0.00 C ATOM 631 CG HIS A 44 -2.813 8.219 -22.019 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.631 7.873 -23.341 1.00 0.00 N ATOM 633 CD2 HIS A 44 -1.971 7.434 -21.307 1.00 0.00 C ATOM 634 CE1 HIS A 44 -1.721 6.919 -23.423 1.00 0.00 C ATOM 635 NE2 HIS A 44 -1.304 6.635 -22.203 1.00 0.00 N ATOM 0 H HIS A 44 -5.213 10.426 -19.862 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.731 8.445 -21.917 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.976 9.949 -22.408 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.318 9.868 -20.786 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.847 7.436 -20.234 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.377 6.451 -24.333 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.601 5.936 -21.965 1.00 0.00 H new ATOM 643 N MET A 45 -4.075 7.601 -19.172 1.00 0.00 N ATOM 644 CA MET A 45 -3.758 6.477 -18.298 1.00 0.00 C ATOM 645 C MET A 45 -5.002 5.640 -18.016 1.00 0.00 C ATOM 646 O MET A 45 -4.903 4.465 -17.666 1.00 0.00 O ATOM 647 CB MET A 45 -3.158 6.979 -16.983 1.00 0.00 C ATOM 648 CG MET A 45 -4.197 7.488 -15.996 1.00 0.00 C ATOM 649 SD MET A 45 -3.508 7.790 -14.357 1.00 0.00 S ATOM 650 CE MET A 45 -2.118 8.844 -14.763 1.00 0.00 C ATOM 0 H MET A 45 -3.651 8.486 -18.893 1.00 0.00 H new ATOM 0 HA MET A 45 -3.026 5.849 -18.806 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.593 6.171 -16.519 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.450 7.780 -17.198 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.634 8.411 -16.378 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.005 6.761 -15.918 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.558 9.073 -13.856 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.467 8.331 -15.471 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.481 9.770 -15.209 1.00 0.00 H new ATOM 660 N GLU A 46 -6.171 6.255 -18.170 1.00 0.00 N ATOM 661 CA GLU A 46 -7.433 5.565 -17.930 1.00 0.00 C ATOM 662 C GLU A 46 -7.475 4.233 -18.673 1.00 0.00 C ATOM 663 O GLU A 46 -7.668 3.178 -18.069 1.00 0.00 O ATOM 664 CB GLU A 46 -8.610 6.441 -18.366 1.00 0.00 C ATOM 665 CG GLU A 46 -8.707 7.752 -17.603 1.00 0.00 C ATOM 666 CD GLU A 46 -8.309 7.611 -16.147 1.00 0.00 C ATOM 667 OE1 GLU A 46 -9.156 7.177 -15.339 1.00 0.00 O ATOM 668 OE2 GLU A 46 -7.149 7.935 -15.815 1.00 0.00 O ATOM 0 H GLU A 46 -6.270 7.228 -18.459 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.512 5.368 -16.861 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.518 6.656 -19.431 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.537 5.883 -18.232 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.067 8.494 -18.080 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.729 8.127 -17.662 1.00 0.00 H new ATOM 675 N VAL A 47 -7.293 4.290 -19.989 1.00 0.00 N ATOM 676 CA VAL A 47 -7.309 3.089 -20.815 1.00 0.00 C ATOM 677 C VAL A 47 -5.931 2.438 -20.866 1.00 0.00 C ATOM 678 O VAL A 47 -5.812 1.215 -20.949 1.00 0.00 O ATOM 679 CB VAL A 47 -7.770 3.402 -22.251 1.00 0.00 C ATOM 680 CG1 VAL A 47 -9.175 3.984 -22.246 1.00 0.00 C ATOM 681 CG2 VAL A 47 -6.793 4.351 -22.929 1.00 0.00 C ATOM 0 H VAL A 47 -7.133 5.155 -20.505 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.017 2.399 -20.356 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.790 2.472 -22.818 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.484 4.199 -23.269 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.865 3.266 -21.802 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.185 4.905 -21.663 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.134 4.561 -23.943 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.738 5.282 -22.364 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.806 3.891 -22.967 1.00 0.00 H new ATOM 691 N CYS A 48 -4.891 3.263 -20.815 1.00 0.00 N ATOM 692 CA CYS A 48 -3.520 2.770 -20.855 1.00 0.00 C ATOM 693 C CYS A 48 -3.386 1.471 -20.065 1.00 0.00 C ATOM 694 O CYS A 48 -2.993 0.440 -20.609 1.00 0.00 O ATOM 695 CB CYS A 48 -2.560 3.821 -20.295 1.00 0.00 C ATOM 696 SG CYS A 48 -0.798 3.400 -20.491 1.00 0.00 S ATOM 0 H CYS A 48 -4.972 4.277 -20.746 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.263 2.571 -21.895 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.752 4.773 -20.790 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.773 3.964 -19.236 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.070 4.442 -20.220 1.00 0.00 H new ATOM 701 N GLN A 49 -3.715 1.531 -18.779 1.00 0.00 N ATOM 702 CA GLN A 49 -3.631 0.360 -17.914 1.00 0.00 C ATOM 703 C GLN A 49 -4.387 -0.818 -18.518 1.00 0.00 C ATOM 704 O GLN A 49 -3.922 -1.958 -18.471 1.00 0.00 O ATOM 705 CB GLN A 49 -4.191 0.683 -16.527 1.00 0.00 C ATOM 706 CG GLN A 49 -3.461 1.817 -15.825 1.00 0.00 C ATOM 707 CD GLN A 49 -2.346 1.325 -14.925 1.00 0.00 C ATOM 708 OE1 GLN A 49 -2.509 1.235 -13.708 1.00 0.00 O ATOM 709 NE2 GLN A 49 -1.203 1.002 -15.520 1.00 0.00 N ATOM 0 H GLN A 49 -4.042 2.377 -18.313 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.581 0.084 -17.819 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.245 0.944 -16.622 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.139 -0.211 -15.906 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.047 2.495 -16.572 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.174 2.391 -15.233 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.112 1.092 -16.532 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.417 0.664 -14.965 1.00 0.00 H new ATOM 718 N LYS A 50 -5.555 -0.538 -19.086 1.00 0.00 N ATOM 719 CA LYS A 50 -6.376 -1.574 -19.701 1.00 0.00 C ATOM 720 C LYS A 50 -5.661 -2.196 -20.896 1.00 0.00 C ATOM 721 O LYS A 50 -5.554 -3.419 -21.001 1.00 0.00 O ATOM 722 CB LYS A 50 -7.720 -0.992 -20.144 1.00 0.00 C ATOM 723 CG LYS A 50 -8.617 -0.584 -18.988 1.00 0.00 C ATOM 724 CD LYS A 50 -9.723 0.353 -19.444 1.00 0.00 C ATOM 725 CE LYS A 50 -10.969 -0.416 -19.857 1.00 0.00 C ATOM 726 NZ LYS A 50 -12.203 0.402 -19.696 1.00 0.00 N ATOM 0 H LYS A 50 -5.955 0.399 -19.133 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.551 -2.353 -18.959 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.539 -0.123 -20.777 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.242 -1.729 -20.755 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.056 -1.473 -18.535 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.020 -0.096 -18.218 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.971 1.044 -18.639 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.370 0.954 -20.282 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.874 -0.730 -20.896 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.053 -1.322 -19.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.030 -0.157 -19.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.307 0.681 -18.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.134 1.254 -20.288 1.00 0.00 H new ATOM 740 N LEU A 51 -5.172 -1.349 -21.794 1.00 0.00 N ATOM 741 CA LEU A 51 -4.465 -1.816 -22.982 1.00 0.00 C ATOM 742 C LEU A 51 -3.122 -2.435 -22.608 1.00 0.00 C ATOM 743 O LEU A 51 -2.906 -3.632 -22.798 1.00 0.00 O ATOM 744 CB LEU A 51 -4.251 -0.659 -23.960 1.00 0.00 C ATOM 745 CG LEU A 51 -5.437 -0.315 -24.862 1.00 0.00 C ATOM 746 CD1 LEU A 51 -5.768 -1.484 -25.777 1.00 0.00 C ATOM 747 CD2 LEU A 51 -6.648 0.071 -24.027 1.00 0.00 C ATOM 0 H LEU A 51 -5.252 -0.335 -21.723 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.076 -2.581 -23.461 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.986 0.230 -23.388 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.396 -0.898 -24.593 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.162 0.538 -25.482 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.614 -1.221 -26.412 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.904 -1.714 -26.401 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.023 -2.356 -25.175 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.482 0.312 -24.686 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.925 -0.762 -23.381 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.406 0.940 -23.415 1.00 0.00 H new ATOM 759 N GLN A 52 -2.225 -1.613 -22.074 1.00 0.00 N ATOM 760 CA GLN A 52 -0.904 -2.081 -21.671 1.00 0.00 C ATOM 761 C GLN A 52 -0.976 -3.497 -21.109 1.00 0.00 C ATOM 762 O GLN A 52 -0.125 -4.336 -21.402 1.00 0.00 O ATOM 763 CB GLN A 52 -0.299 -1.136 -20.631 1.00 0.00 C ATOM 764 CG GLN A 52 -1.019 -1.165 -19.293 1.00 0.00 C ATOM 765 CD GLN A 52 -0.495 -2.249 -18.371 1.00 0.00 C ATOM 766 OE1 GLN A 52 0.656 -2.673 -18.484 1.00 0.00 O ATOM 767 NE2 GLN A 52 -1.339 -2.704 -17.453 1.00 0.00 N ATOM 0 H GLN A 52 -2.389 -0.620 -21.910 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.266 -2.093 -22.555 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.747 -1.400 -20.477 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.317 -0.119 -21.022 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.911 -0.196 -18.806 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.085 -1.321 -19.462 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.284 -2.324 -17.396 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.043 -3.434 -16.805 1.00 0.00 H new ATOM 776 N ASP A 53 -1.997 -3.755 -20.299 1.00 0.00 N ATOM 777 CA ASP A 53 -2.181 -5.069 -19.695 1.00 0.00 C ATOM 778 C ASP A 53 -2.154 -6.164 -20.758 1.00 0.00 C ATOM 779 O ASP A 53 -1.288 -7.038 -20.741 1.00 0.00 O ATOM 780 CB ASP A 53 -3.502 -5.120 -18.926 1.00 0.00 C ATOM 781 CG ASP A 53 -3.482 -6.145 -17.809 1.00 0.00 C ATOM 782 OD1 ASP A 53 -3.598 -7.352 -18.109 1.00 0.00 O ATOM 783 OD2 ASP A 53 -3.352 -5.741 -16.634 1.00 0.00 O ATOM 0 H ASP A 53 -2.710 -3.071 -20.046 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.359 -5.241 -19.001 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.714 -4.136 -18.508 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.312 -5.355 -19.616 1.00 0.00 H new ATOM 788 N ALA A 54 -3.109 -6.109 -21.680 1.00 0.00 N ATOM 789 CA ALA A 54 -3.195 -7.095 -22.750 1.00 0.00 C ATOM 790 C ALA A 54 -1.816 -7.400 -23.327 1.00 0.00 C ATOM 791 O ALA A 54 -1.373 -8.549 -23.329 1.00 0.00 O ATOM 792 CB ALA A 54 -4.131 -6.605 -23.846 1.00 0.00 C ATOM 0 H ALA A 54 -3.834 -5.392 -21.708 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.597 -8.017 -22.330 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.186 -7.351 -24.638 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.126 -6.444 -23.430 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.753 -5.668 -24.255 1.00 0.00 H new ATOM 798 N LEU A 55 -1.143 -6.365 -23.817 1.00 0.00 N ATOM 799 CA LEU A 55 0.186 -6.522 -24.398 1.00 0.00 C ATOM 800 C LEU A 55 1.120 -7.245 -23.432 1.00 0.00 C ATOM 801 O LEU A 55 1.898 -8.110 -23.835 1.00 0.00 O ATOM 802 CB LEU A 55 0.769 -5.156 -24.763 1.00 0.00 C ATOM 803 CG LEU A 55 0.049 -4.395 -25.877 1.00 0.00 C ATOM 804 CD1 LEU A 55 0.413 -2.919 -25.836 1.00 0.00 C ATOM 805 CD2 LEU A 55 0.387 -4.992 -27.235 1.00 0.00 C ATOM 0 H LEU A 55 -1.496 -5.408 -23.824 1.00 0.00 H new ATOM 0 HA LEU A 55 0.092 -7.123 -25.302 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.772 -4.534 -23.868 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.809 -5.294 -25.058 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.025 -4.488 -25.719 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.109 -2.393 -26.636 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.120 -2.499 -24.874 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.489 -2.806 -25.969 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.134 -4.438 -28.016 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.462 -4.930 -27.402 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.075 -6.036 -27.261 1.00 0.00 H new ATOM 817 N LYS A 56 1.036 -6.886 -22.156 1.00 0.00 N ATOM 818 CA LYS A 56 1.870 -7.502 -21.131 1.00 0.00 C ATOM 819 C LYS A 56 1.668 -9.013 -21.100 1.00 0.00 C ATOM 820 O LYS A 56 0.539 -9.500 -21.179 1.00 0.00 O ATOM 821 CB LYS A 56 1.551 -6.905 -19.758 1.00 0.00 C ATOM 822 CG LYS A 56 2.439 -7.434 -18.644 1.00 0.00 C ATOM 823 CD LYS A 56 2.444 -6.500 -17.445 1.00 0.00 C ATOM 824 CE LYS A 56 3.767 -6.562 -16.697 1.00 0.00 C ATOM 825 NZ LYS A 56 3.780 -7.653 -15.683 1.00 0.00 N ATOM 0 H LYS A 56 0.398 -6.171 -21.807 1.00 0.00 H new ATOM 0 HA LYS A 56 2.912 -7.298 -21.376 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.654 -5.821 -19.810 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.510 -7.115 -19.512 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.091 -8.420 -18.337 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.456 -7.557 -19.015 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.260 -5.478 -17.777 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.630 -6.767 -16.771 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.579 -6.717 -17.407 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.951 -5.607 -16.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.698 -7.662 -15.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.021 -7.492 -14.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.630 -8.567 -16.155 1.00 0.00 H new ATOM 839 N CYS A 57 2.767 -9.751 -20.983 1.00 0.00 N ATOM 840 CA CYS A 57 2.710 -11.207 -20.941 1.00 0.00 C ATOM 841 C CYS A 57 2.507 -11.702 -19.512 1.00 0.00 C ATOM 842 O CYS A 57 3.296 -11.392 -18.620 1.00 0.00 O ATOM 843 CB CYS A 57 3.993 -11.805 -21.522 1.00 0.00 C ATOM 844 SG CYS A 57 3.763 -13.429 -22.315 1.00 0.00 S ATOM 0 H CYS A 57 3.708 -9.364 -20.916 1.00 0.00 H new ATOM 0 HA CYS A 57 1.861 -11.530 -21.543 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.406 -11.111 -22.254 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.729 -11.903 -20.724 1.00 0.00 H new ATOM 0 HG CYS A 57 4.753 -13.660 -23.125 1.00 0.00 H new ATOM 849 N GLN A 58 1.444 -12.472 -19.303 1.00 0.00 N ATOM 850 CA GLN A 58 1.138 -13.009 -17.983 1.00 0.00 C ATOM 851 C GLN A 58 1.868 -14.328 -17.749 1.00 0.00 C ATOM 852 O GLN A 58 1.429 -15.159 -16.954 1.00 0.00 O ATOM 853 CB GLN A 58 -0.371 -13.214 -17.830 1.00 0.00 C ATOM 854 CG GLN A 58 -1.109 -11.970 -17.362 1.00 0.00 C ATOM 855 CD GLN A 58 -0.912 -10.789 -18.292 1.00 0.00 C ATOM 856 OE1 GLN A 58 -1.198 -10.871 -19.487 1.00 0.00 O ATOM 857 NE2 GLN A 58 -0.421 -9.682 -17.748 1.00 0.00 N ATOM 0 H GLN A 58 0.781 -12.738 -20.031 1.00 0.00 H new ATOM 0 HA GLN A 58 1.478 -12.289 -17.238 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.785 -13.534 -18.786 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.550 -14.021 -17.120 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.173 -12.192 -17.283 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.765 -11.702 -16.363 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.198 -9.658 -16.753 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.267 -8.855 -18.325 1.00 0.00 H new ATOM 866 N HIS A 59 2.984 -14.512 -18.446 1.00 0.00 N ATOM 867 CA HIS A 59 3.776 -15.730 -18.313 1.00 0.00 C ATOM 868 C HIS A 59 5.220 -15.402 -17.946 1.00 0.00 C ATOM 869 O HIS A 59 5.797 -16.014 -17.046 1.00 0.00 O ATOM 870 CB HIS A 59 3.738 -16.532 -19.614 1.00 0.00 C ATOM 871 CG HIS A 59 2.360 -16.969 -20.009 1.00 0.00 C ATOM 872 ND1 HIS A 59 1.749 -18.091 -19.490 1.00 0.00 N ATOM 873 CD2 HIS A 59 1.474 -16.426 -20.876 1.00 0.00 C ATOM 874 CE1 HIS A 59 0.547 -18.220 -20.022 1.00 0.00 C ATOM 875 NE2 HIS A 59 0.355 -17.222 -20.866 1.00 0.00 N ATOM 0 H HIS A 59 3.361 -13.834 -19.108 1.00 0.00 H new ATOM 0 HA HIS A 59 3.344 -16.330 -17.512 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.162 -15.928 -20.416 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.373 -17.412 -19.507 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.620 -15.533 -21.466 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.159 -19.008 -19.804 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -0.487 -17.068 -21.420 1.00 0.00 H new ATOM 883 N CYS A 60 5.799 -14.434 -18.648 1.00 0.00 N ATOM 884 CA CYS A 60 7.175 -14.025 -18.398 1.00 0.00 C ATOM 885 C CYS A 60 7.220 -12.721 -17.606 1.00 0.00 C ATOM 886 O CYS A 60 8.244 -12.377 -17.015 1.00 0.00 O ATOM 887 CB CYS A 60 7.928 -13.858 -19.719 1.00 0.00 C ATOM 888 SG CYS A 60 7.216 -12.599 -20.827 1.00 0.00 S ATOM 0 H CYS A 60 5.335 -13.918 -19.396 1.00 0.00 H new ATOM 0 HA CYS A 60 7.658 -14.805 -17.809 1.00 0.00 H new ATOM 0 HB2 CYS A 60 8.963 -13.593 -19.504 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.945 -14.816 -20.239 1.00 0.00 H new ATOM 0 HG CYS A 60 6.699 -13.180 -21.869 1.00 0.00 H new ATOM 893 N ARG A 61 6.104 -12.001 -17.600 1.00 0.00 N ATOM 894 CA ARG A 61 6.015 -10.735 -16.882 1.00 0.00 C ATOM 895 C ARG A 61 6.975 -9.706 -17.474 1.00 0.00 C ATOM 896 O ARG A 61 7.732 -9.059 -16.750 1.00 0.00 O ATOM 897 CB ARG A 61 6.325 -10.943 -15.398 1.00 0.00 C ATOM 898 CG ARG A 61 5.090 -11.180 -14.546 1.00 0.00 C ATOM 899 CD ARG A 61 5.377 -12.142 -13.403 1.00 0.00 C ATOM 900 NE ARG A 61 5.789 -11.442 -12.189 1.00 0.00 N ATOM 901 CZ ARG A 61 5.735 -11.980 -10.976 1.00 0.00 C ATOM 902 NH1 ARG A 61 5.289 -13.218 -10.816 1.00 0.00 N ATOM 903 NH2 ARG A 61 6.128 -11.280 -9.920 1.00 0.00 N ATOM 0 H ARG A 61 5.248 -12.272 -18.084 1.00 0.00 H new ATOM 0 HA ARG A 61 4.997 -10.358 -16.984 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.998 -11.794 -15.292 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.855 -10.068 -15.020 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.737 -10.231 -14.144 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.289 -11.581 -15.168 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.486 -12.734 -13.195 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.160 -12.839 -13.703 1.00 0.00 H new ATOM 0 HE ARG A 61 6.137 -10.487 -12.278 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.986 -13.760 -11.626 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.249 -13.629 -9.883 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.472 -10.327 -10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.086 -11.694 -8.989 1.00 0.00 H new ATOM 917 N LYS A 62 6.937 -9.561 -18.794 1.00 0.00 N ATOM 918 CA LYS A 62 7.802 -8.611 -19.484 1.00 0.00 C ATOM 919 C LYS A 62 6.994 -7.728 -20.429 1.00 0.00 C ATOM 920 O LYS A 62 6.284 -8.226 -21.303 1.00 0.00 O ATOM 921 CB LYS A 62 8.888 -9.354 -20.266 1.00 0.00 C ATOM 922 CG LYS A 62 9.960 -8.441 -20.834 1.00 0.00 C ATOM 923 CD LYS A 62 11.050 -9.231 -21.539 1.00 0.00 C ATOM 924 CE LYS A 62 12.102 -9.727 -20.558 1.00 0.00 C ATOM 925 NZ LYS A 62 13.014 -10.726 -21.181 1.00 0.00 N ATOM 0 H LYS A 62 6.317 -10.089 -19.408 1.00 0.00 H new ATOM 0 HA LYS A 62 8.273 -7.975 -18.735 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.357 -10.088 -19.611 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.423 -9.906 -21.083 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.507 -7.739 -21.534 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.400 -7.851 -20.030 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.607 -10.080 -22.059 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.523 -8.605 -22.296 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.685 -8.882 -20.192 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.611 -10.173 -19.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.716 -11.039 -20.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.461 -11.544 -21.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.502 -10.293 -21.991 1.00 0.00 H new ATOM 939 N GLN A 63 7.109 -6.416 -20.249 1.00 0.00 N ATOM 940 CA GLN A 63 6.389 -5.464 -21.087 1.00 0.00 C ATOM 941 C GLN A 63 6.870 -5.540 -22.533 1.00 0.00 C ATOM 942 O GLN A 63 8.053 -5.758 -22.793 1.00 0.00 O ATOM 943 CB GLN A 63 6.568 -4.043 -20.551 1.00 0.00 C ATOM 944 CG GLN A 63 5.773 -2.999 -21.317 1.00 0.00 C ATOM 945 CD GLN A 63 4.304 -2.992 -20.941 1.00 0.00 C ATOM 946 OE1 GLN A 63 3.952 -3.090 -19.765 1.00 0.00 O ATOM 947 NE2 GLN A 63 3.437 -2.876 -21.940 1.00 0.00 N ATOM 0 H GLN A 63 7.694 -5.988 -19.531 1.00 0.00 H new ATOM 0 HA GLN A 63 5.331 -5.723 -21.061 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.269 -4.019 -19.503 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.625 -3.781 -20.587 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.197 -2.013 -21.127 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.870 -3.187 -22.386 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.773 -2.797 -22.900 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.435 -2.866 -21.747 1.00 0.00 H new ATOM 956 N PHE A 64 5.945 -5.357 -23.469 1.00 0.00 N ATOM 957 CA PHE A 64 6.274 -5.406 -24.889 1.00 0.00 C ATOM 958 C PHE A 64 5.753 -4.167 -25.611 1.00 0.00 C ATOM 959 O PHE A 64 4.544 -3.973 -25.743 1.00 0.00 O ATOM 960 CB PHE A 64 5.688 -6.666 -25.527 1.00 0.00 C ATOM 961 CG PHE A 64 6.542 -7.887 -25.338 1.00 0.00 C ATOM 962 CD1 PHE A 64 6.438 -8.650 -24.186 1.00 0.00 C ATOM 963 CD2 PHE A 64 7.450 -8.271 -26.312 1.00 0.00 C ATOM 964 CE1 PHE A 64 7.222 -9.774 -24.009 1.00 0.00 C ATOM 965 CE2 PHE A 64 8.237 -9.395 -26.140 1.00 0.00 C ATOM 966 CZ PHE A 64 8.124 -10.146 -24.987 1.00 0.00 C ATOM 0 H PHE A 64 4.962 -5.173 -23.270 1.00 0.00 H new ATOM 0 HA PHE A 64 7.360 -5.431 -24.984 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.702 -6.853 -25.103 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.548 -6.492 -26.594 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.736 -8.363 -23.417 1.00 0.00 H new ATOM 0 HD2 PHE A 64 7.544 -7.686 -27.215 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.130 -10.361 -23.107 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.940 -9.685 -26.907 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.740 -11.023 -24.850 1.00 0.00 H new ATOM 976 N LYS A 65 6.674 -3.329 -26.075 1.00 0.00 N ATOM 977 CA LYS A 65 6.309 -2.108 -26.785 1.00 0.00 C ATOM 978 C LYS A 65 5.938 -2.410 -28.233 1.00 0.00 C ATOM 979 O LYS A 65 6.350 -1.701 -29.150 1.00 0.00 O ATOM 980 CB LYS A 65 7.465 -1.105 -26.742 1.00 0.00 C ATOM 981 CG LYS A 65 7.011 0.342 -26.654 1.00 0.00 C ATOM 982 CD LYS A 65 6.836 0.957 -28.032 1.00 0.00 C ATOM 983 CE LYS A 65 6.384 2.406 -27.942 1.00 0.00 C ATOM 984 NZ LYS A 65 7.460 3.292 -27.417 1.00 0.00 N ATOM 0 H LYS A 65 7.679 -3.473 -25.972 1.00 0.00 H new ATOM 0 HA LYS A 65 5.440 -1.675 -26.289 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.099 -1.331 -25.885 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.078 -1.231 -27.634 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.069 0.396 -26.108 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.741 0.919 -26.087 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.777 0.902 -28.579 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.104 0.381 -28.598 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.078 2.753 -28.929 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.510 2.474 -27.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.162 4.285 -27.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.641 3.065 -26.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.330 3.146 -27.968 1.00 0.00 H new ATOM 998 N SER A 66 5.156 -3.467 -28.430 1.00 0.00 N ATOM 999 CA SER A 66 4.731 -3.864 -29.767 1.00 0.00 C ATOM 1000 C SER A 66 3.724 -5.009 -29.699 1.00 0.00 C ATOM 1001 O SER A 66 3.826 -5.892 -28.848 1.00 0.00 O ATOM 1002 CB SER A 66 5.939 -4.282 -30.607 1.00 0.00 C ATOM 1003 OG SER A 66 6.530 -5.465 -30.097 1.00 0.00 O ATOM 0 H SER A 66 4.804 -4.063 -27.681 1.00 0.00 H new ATOM 0 HA SER A 66 4.250 -3.007 -30.238 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.630 -4.442 -31.640 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.675 -3.478 -30.616 1.00 0.00 H new ATOM 0 HG SER A 66 7.299 -5.712 -30.652 1.00 0.00 H new ATOM 1009 N LYS A 67 2.751 -4.986 -30.604 1.00 0.00 N ATOM 1010 CA LYS A 67 1.724 -6.021 -30.650 1.00 0.00 C ATOM 1011 C LYS A 67 2.225 -7.251 -31.400 1.00 0.00 C ATOM 1012 O LYS A 67 2.155 -8.370 -30.894 1.00 0.00 O ATOM 1013 CB LYS A 67 0.458 -5.483 -31.319 1.00 0.00 C ATOM 1014 CG LYS A 67 -0.783 -6.309 -31.027 1.00 0.00 C ATOM 1015 CD LYS A 67 -1.960 -5.869 -31.880 1.00 0.00 C ATOM 1016 CE LYS A 67 -3.156 -6.791 -31.700 1.00 0.00 C ATOM 1017 NZ LYS A 67 -4.431 -6.130 -32.091 1.00 0.00 N ATOM 0 H LYS A 67 2.652 -4.262 -31.316 1.00 0.00 H new ATOM 0 HA LYS A 67 1.490 -6.312 -29.626 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.289 -4.459 -30.987 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.614 -5.447 -32.397 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.572 -7.362 -31.212 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.042 -6.217 -29.972 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.242 -4.850 -31.615 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.665 -5.855 -32.929 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.015 -7.690 -32.300 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.216 -7.108 -30.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.221 -6.792 -31.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.579 -5.286 -31.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.384 -5.850 -33.091 1.00 0.00 H new ATOM 1031 N ALA A 68 2.733 -7.034 -32.609 1.00 0.00 N ATOM 1032 CA ALA A 68 3.249 -8.125 -33.428 1.00 0.00 C ATOM 1033 C ALA A 68 4.365 -8.872 -32.706 1.00 0.00 C ATOM 1034 O ALA A 68 4.443 -10.099 -32.765 1.00 0.00 O ATOM 1035 CB ALA A 68 3.746 -7.593 -34.764 1.00 0.00 C ATOM 0 H ALA A 68 2.798 -6.113 -33.043 1.00 0.00 H new ATOM 0 HA ALA A 68 2.435 -8.827 -33.609 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.128 -8.418 -35.365 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.924 -7.110 -35.292 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.543 -6.869 -34.594 1.00 0.00 H new ATOM 1041 N GLY A 69 5.227 -8.125 -32.024 1.00 0.00 N ATOM 1042 CA GLY A 69 6.328 -8.735 -31.301 1.00 0.00 C ATOM 1043 C GLY A 69 5.860 -9.771 -30.299 1.00 0.00 C ATOM 1044 O GLY A 69 6.350 -10.901 -30.289 1.00 0.00 O ATOM 0 H GLY A 69 5.183 -7.108 -31.959 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.010 -9.203 -32.011 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.891 -7.960 -30.781 1.00 0.00 H new ATOM 1048 N LEU A 70 4.910 -9.388 -29.453 1.00 0.00 N ATOM 1049 CA LEU A 70 4.376 -10.292 -28.440 1.00 0.00 C ATOM 1050 C LEU A 70 3.879 -11.587 -29.075 1.00 0.00 C ATOM 1051 O LEU A 70 4.071 -12.672 -28.528 1.00 0.00 O ATOM 1052 CB LEU A 70 3.239 -9.616 -27.673 1.00 0.00 C ATOM 1053 CG LEU A 70 2.568 -10.459 -26.587 1.00 0.00 C ATOM 1054 CD1 LEU A 70 3.502 -10.641 -25.401 1.00 0.00 C ATOM 1055 CD2 LEU A 70 1.261 -9.817 -26.145 1.00 0.00 C ATOM 0 H LEU A 70 4.493 -8.457 -29.448 1.00 0.00 H new ATOM 0 HA LEU A 70 5.179 -10.535 -27.745 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.628 -8.708 -27.212 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.477 -9.308 -28.389 1.00 0.00 H new ATOM 0 HG LEU A 70 2.345 -11.442 -27.002 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.008 -11.243 -24.638 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.412 -11.145 -25.728 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.756 -9.666 -24.985 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.797 -10.430 -25.372 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.461 -8.822 -25.747 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.587 -9.738 -26.998 1.00 0.00 H new ATOM 1067 N ASN A 71 3.239 -11.464 -30.234 1.00 0.00 N ATOM 1068 CA ASN A 71 2.715 -12.625 -30.944 1.00 0.00 C ATOM 1069 C ASN A 71 3.800 -13.681 -31.136 1.00 0.00 C ATOM 1070 O ASN A 71 3.675 -14.808 -30.657 1.00 0.00 O ATOM 1071 CB ASN A 71 2.151 -12.205 -32.303 1.00 0.00 C ATOM 1072 CG ASN A 71 0.956 -11.280 -32.172 1.00 0.00 C ATOM 1073 OD1 ASN A 71 0.266 -11.280 -31.153 1.00 0.00 O ATOM 1074 ND2 ASN A 71 0.708 -10.485 -33.206 1.00 0.00 N ATOM 0 H ASN A 71 3.071 -10.573 -30.701 1.00 0.00 H new ATOM 0 HA ASN A 71 1.915 -13.057 -30.343 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.931 -11.707 -32.879 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.860 -13.094 -32.863 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.082 -9.840 -33.176 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.307 -10.519 -34.031 1.00 0.00 H new ATOM 1081 N TYR A 72 4.863 -13.308 -31.838 1.00 0.00 N ATOM 1082 CA TYR A 72 5.969 -14.222 -32.095 1.00 0.00 C ATOM 1083 C TYR A 72 6.627 -14.662 -30.790 1.00 0.00 C ATOM 1084 O TYR A 72 6.944 -15.837 -30.606 1.00 0.00 O ATOM 1085 CB TYR A 72 7.006 -13.560 -33.004 1.00 0.00 C ATOM 1086 CG TYR A 72 7.807 -14.544 -33.827 1.00 0.00 C ATOM 1087 CD1 TYR A 72 8.919 -15.183 -33.292 1.00 0.00 C ATOM 1088 CD2 TYR A 72 7.452 -14.834 -35.138 1.00 0.00 C ATOM 1089 CE1 TYR A 72 9.654 -16.083 -34.040 1.00 0.00 C ATOM 1090 CE2 TYR A 72 8.180 -15.733 -35.893 1.00 0.00 C ATOM 1091 CZ TYR A 72 9.280 -16.355 -35.340 1.00 0.00 C ATOM 1092 OH TYR A 72 10.009 -17.250 -36.089 1.00 0.00 O ATOM 0 H TYR A 72 4.983 -12.378 -32.240 1.00 0.00 H new ATOM 0 HA TYR A 72 5.569 -15.104 -32.595 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.499 -12.867 -33.675 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.689 -12.970 -32.393 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.214 -14.973 -32.275 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.592 -14.348 -35.575 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.516 -16.571 -33.610 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.889 -15.948 -36.911 1.00 0.00 H new ATOM 0 HH TYR A 72 9.612 -17.329 -36.982 1.00 0.00 H new ATOM 1102 N HIS A 73 6.829 -13.708 -29.887 1.00 0.00 N ATOM 1103 CA HIS A 73 7.448 -13.995 -28.597 1.00 0.00 C ATOM 1104 C HIS A 73 6.696 -15.106 -27.870 1.00 0.00 C ATOM 1105 O HIS A 73 7.243 -16.181 -27.622 1.00 0.00 O ATOM 1106 CB HIS A 73 7.482 -12.735 -27.732 1.00 0.00 C ATOM 1107 CG HIS A 73 7.357 -13.012 -26.266 1.00 0.00 C ATOM 1108 ND1 HIS A 73 8.444 -13.226 -25.445 1.00 0.00 N ATOM 1109 CD2 HIS A 73 6.264 -13.107 -25.473 1.00 0.00 C ATOM 1110 CE1 HIS A 73 8.025 -13.443 -24.211 1.00 0.00 C ATOM 1111 NE2 HIS A 73 6.706 -13.375 -24.201 1.00 0.00 N ATOM 0 H HIS A 73 6.573 -12.730 -30.024 1.00 0.00 H new ATOM 0 HA HIS A 73 8.470 -14.329 -28.778 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.416 -12.204 -27.915 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.673 -12.072 -28.038 1.00 0.00 H new ATOM 0 HD1 HIS A 73 9.419 -13.218 -25.744 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.236 -12.993 -25.783 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.654 -13.642 -23.356 1.00 0.00 H new ATOM 1119 N THR A 74 5.440 -14.839 -27.528 1.00 0.00 N ATOM 1120 CA THR A 74 4.614 -15.814 -26.827 1.00 0.00 C ATOM 1121 C THR A 74 4.492 -17.107 -27.626 1.00 0.00 C ATOM 1122 O THR A 74 4.435 -18.196 -27.057 1.00 0.00 O ATOM 1123 CB THR A 74 3.204 -15.260 -26.550 1.00 0.00 C ATOM 1124 OG1 THR A 74 3.284 -14.134 -25.669 1.00 0.00 O ATOM 1125 CG2 THR A 74 2.314 -16.330 -25.933 1.00 0.00 C ATOM 0 H THR A 74 4.972 -13.955 -27.725 1.00 0.00 H new ATOM 0 HA THR A 74 5.107 -16.022 -25.878 1.00 0.00 H new ATOM 0 HB THR A 74 2.767 -14.948 -27.499 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.470 -14.444 -24.758 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.323 -15.916 -25.746 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.231 -17.174 -26.618 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.749 -16.668 -24.992 1.00 0.00 H new ATOM 1133 N MET A 75 4.454 -16.978 -28.948 1.00 0.00 N ATOM 1134 CA MET A 75 4.341 -18.138 -29.826 1.00 0.00 C ATOM 1135 C MET A 75 5.605 -18.989 -29.767 1.00 0.00 C ATOM 1136 O MET A 75 5.540 -20.217 -29.812 1.00 0.00 O ATOM 1137 CB MET A 75 4.078 -17.691 -31.265 1.00 0.00 C ATOM 1138 CG MET A 75 4.250 -18.803 -32.287 1.00 0.00 C ATOM 1139 SD MET A 75 3.183 -18.596 -33.725 1.00 0.00 S ATOM 1140 CE MET A 75 4.397 -18.518 -35.040 1.00 0.00 C ATOM 0 H MET A 75 4.500 -16.083 -29.435 1.00 0.00 H new ATOM 0 HA MET A 75 3.502 -18.743 -29.483 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.064 -17.298 -31.335 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.755 -16.873 -31.512 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.290 -18.834 -32.613 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.035 -19.762 -31.815 1.00 0.00 H new ATOM 0 HE1 MET A 75 3.890 -18.391 -35.996 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.065 -17.674 -34.869 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.976 -19.442 -35.056 1.00 0.00 H new ATOM 1150 N ALA A 76 6.754 -18.328 -29.667 1.00 0.00 N ATOM 1151 CA ALA A 76 8.032 -19.025 -29.601 1.00 0.00 C ATOM 1152 C ALA A 76 8.362 -19.433 -28.169 1.00 0.00 C ATOM 1153 O ALA A 76 8.472 -20.620 -27.862 1.00 0.00 O ATOM 1154 CB ALA A 76 9.140 -18.151 -30.170 1.00 0.00 C ATOM 0 H ALA A 76 6.825 -17.311 -29.630 1.00 0.00 H new ATOM 0 HA ALA A 76 7.954 -19.932 -30.201 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.089 -18.684 -30.114 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.918 -17.913 -31.210 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.208 -17.228 -29.594 1.00 0.00 H new ATOM 1160 N GLU A 77 8.518 -18.442 -27.297 1.00 0.00 N ATOM 1161 CA GLU A 77 8.837 -18.700 -25.898 1.00 0.00 C ATOM 1162 C GLU A 77 7.771 -19.578 -25.250 1.00 0.00 C ATOM 1163 O GLU A 77 8.034 -20.723 -24.881 1.00 0.00 O ATOM 1164 CB GLU A 77 8.963 -17.382 -25.129 1.00 0.00 C ATOM 1165 CG GLU A 77 10.376 -16.822 -25.111 1.00 0.00 C ATOM 1166 CD GLU A 77 10.401 -15.306 -25.069 1.00 0.00 C ATOM 1167 OE1 GLU A 77 10.367 -14.682 -26.150 1.00 0.00 O ATOM 1168 OE2 GLU A 77 10.455 -14.745 -23.955 1.00 0.00 O ATOM 0 H GLU A 77 8.429 -17.454 -27.534 1.00 0.00 H new ATOM 0 HA GLU A 77 9.790 -19.227 -25.861 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.295 -16.645 -25.575 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.629 -17.536 -24.103 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.908 -17.215 -24.244 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.911 -17.166 -25.996 1.00 0.00 H new ATOM 1175 N HIS A 78 6.566 -19.034 -25.114 1.00 0.00 N ATOM 1176 CA HIS A 78 5.459 -19.767 -24.510 1.00 0.00 C ATOM 1177 C HIS A 78 4.574 -20.395 -25.583 1.00 0.00 C ATOM 1178 O HIS A 78 3.432 -19.981 -25.782 1.00 0.00 O ATOM 1179 CB HIS A 78 4.626 -18.839 -23.626 1.00 0.00 C ATOM 1180 CG HIS A 78 5.436 -17.788 -22.931 1.00 0.00 C ATOM 1181 ND1 HIS A 78 6.701 -18.019 -22.434 1.00 0.00 N ATOM 1182 CD2 HIS A 78 5.154 -16.494 -22.653 1.00 0.00 C ATOM 1183 CE1 HIS A 78 7.162 -16.913 -21.878 1.00 0.00 C ATOM 1184 NE2 HIS A 78 6.243 -15.972 -21.998 1.00 0.00 N ATOM 0 H HIS A 78 6.331 -18.088 -25.414 1.00 0.00 H new ATOM 0 HA HIS A 78 5.877 -20.564 -23.895 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.865 -18.354 -24.238 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.102 -19.436 -22.879 1.00 0.00 H new ATOM 0 HD1 HIS A 78 7.203 -18.906 -22.487 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.243 -15.969 -22.900 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.126 -16.798 -21.406 1.00 0.00 H new