USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 803 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 60 THR OG1 : rot 180:sc= -0.318 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -178:sc= 0.00315 (180deg=0) USER MOD Single : A 14 TYR OH : rot 50:sc= -0.602 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.497 K(o=0.5,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.103) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 52 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.5) USER MOD Single : A 53 HIS : no HD1:sc= -4.92! C(o=-4.9!,f=-4.1!) USER MOD Single : A 54 LYS NZ :NH3+ -130:sc= -1.95! (180deg=-5.22!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.638 K(o=-0.64,f=-1.5!) USER MOD Single : A 59 MET CE :methyl 165:sc= -4.26 (180deg=-5.14!) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.19 USER MOD Single : A 64 MET CE :methyl -136:sc= -0.116 (180deg=-0.164) USER MOD Single : A 65 SER OG : rot -64:sc= 0.108 USER MOD Single : A 70 HIS : no HD1:sc= -0.778 X(o=-0.78,f=-0.84) USER MOD Single : A 71 TYR OH : rot 180:sc= -3.78! USER MOD Single : A 72 TYR OH : rot -66:sc= -0.662 USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0384) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.307 K(o=-0.31,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 10 -10.210 11.108 11.539 1.00 0.00 N ATOM 102 CA LEU A 10 -8.791 11.343 11.297 1.00 0.00 C ATOM 103 C LEU A 10 -8.286 10.486 10.141 1.00 0.00 C ATOM 104 O LEU A 10 -9.062 9.790 9.484 1.00 0.00 O ATOM 105 CB LEU A 10 -7.981 11.045 12.560 1.00 0.00 C ATOM 106 CG LEU A 10 -7.792 12.213 13.528 1.00 0.00 C ATOM 107 CD1 LEU A 10 -9.089 12.514 14.262 1.00 0.00 C ATOM 108 CD2 LEU A 10 -6.675 11.911 14.517 1.00 0.00 C ATOM 0 HA LEU A 10 -8.663 12.392 11.030 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.468 10.230 13.096 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.997 10.685 12.260 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.512 13.095 12.952 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.935 13.348 14.946 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.863 12.775 13.541 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.400 11.635 14.826 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.555 12.753 15.198 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.926 11.016 15.087 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.744 11.747 13.975 1.00 0.00 H new ATOM 120 N LEU A 11 -6.981 10.538 9.899 1.00 0.00 N ATOM 121 CA LEU A 11 -6.371 9.763 8.823 1.00 0.00 C ATOM 122 C LEU A 11 -5.710 8.501 9.368 1.00 0.00 C ATOM 123 O LEU A 11 -6.144 7.386 9.077 1.00 0.00 O ATOM 124 CB LEU A 11 -5.339 10.612 8.079 1.00 0.00 C ATOM 125 CG LEU A 11 -4.268 9.842 7.306 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.898 9.039 6.178 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.215 10.795 6.760 1.00 0.00 C ATOM 0 H LEU A 11 -6.325 11.108 10.433 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.158 9.468 8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.867 11.260 7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.842 11.260 8.801 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.781 9.148 7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.121 8.497 5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.614 8.329 6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.411 9.714 5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.461 10.229 6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.687 11.513 6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.742 11.326 7.586 1.00 0.00 H new ATOM 139 N TRP A 12 -4.661 8.684 10.161 1.00 0.00 N ATOM 140 CA TRP A 12 -3.941 7.559 10.749 1.00 0.00 C ATOM 141 C TRP A 12 -4.896 6.419 11.085 1.00 0.00 C ATOM 142 O TRP A 12 -4.565 5.247 10.907 1.00 0.00 O ATOM 143 CB TRP A 12 -3.196 8.006 12.007 1.00 0.00 C ATOM 144 CG TRP A 12 -4.043 7.971 13.243 1.00 0.00 C ATOM 145 CD1 TRP A 12 -5.150 8.729 13.500 1.00 0.00 C ATOM 146 CD2 TRP A 12 -3.851 7.137 14.391 1.00 0.00 C ATOM 147 NE1 TRP A 12 -5.657 8.416 14.738 1.00 0.00 N ATOM 148 CE2 TRP A 12 -4.879 7.442 15.304 1.00 0.00 C ATOM 149 CE3 TRP A 12 -2.912 6.161 14.735 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -4.991 6.806 16.538 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -3.025 5.531 15.959 1.00 0.00 C ATOM 152 CH2 TRP A 12 -4.058 5.854 16.848 1.00 0.00 C ATOM 0 H TRP A 12 -4.289 9.600 10.412 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.218 7.198 10.017 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.327 7.365 12.153 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.823 9.020 11.859 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.566 9.466 12.829 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.480 8.841 15.166 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.112 5.904 14.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.786 7.055 17.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.304 4.776 16.235 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.119 5.342 17.797 1.00 0.00 H new ATOM 163 N ASP A 13 -6.081 6.770 11.573 1.00 0.00 N ATOM 164 CA ASP A 13 -7.084 5.775 11.934 1.00 0.00 C ATOM 165 C ASP A 13 -7.770 5.219 10.690 1.00 0.00 C ATOM 166 O ASP A 13 -7.976 4.012 10.569 1.00 0.00 O ATOM 167 CB ASP A 13 -8.123 6.385 12.875 1.00 0.00 C ATOM 168 CG ASP A 13 -8.986 5.334 13.545 1.00 0.00 C ATOM 169 OD1 ASP A 13 -8.471 4.621 14.432 1.00 0.00 O ATOM 170 OD2 ASP A 13 -10.176 5.225 13.183 1.00 0.00 O ATOM 0 H ASP A 13 -6.370 7.736 11.728 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.579 4.955 12.446 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.615 6.975 13.638 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.759 7.070 12.314 1.00 0.00 H new ATOM 175 N TYR A 14 -8.123 6.109 9.768 1.00 0.00 N ATOM 176 CA TYR A 14 -8.790 5.708 8.535 1.00 0.00 C ATOM 177 C TYR A 14 -8.181 4.425 7.979 1.00 0.00 C ATOM 178 O TYR A 14 -8.835 3.678 7.250 1.00 0.00 O ATOM 179 CB TYR A 14 -8.694 6.824 7.493 1.00 0.00 C ATOM 180 CG TYR A 14 -9.084 6.387 6.100 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.418 6.333 5.715 1.00 0.00 C ATOM 182 CD2 TYR A 14 -8.118 6.026 5.168 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.779 5.933 4.443 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.470 5.626 3.893 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.801 5.581 3.535 1.00 0.00 C ATOM 186 OH TYR A 14 -10.155 5.182 2.267 1.00 0.00 O ATOM 0 H TYR A 14 -7.958 7.112 9.852 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.839 5.522 8.763 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.336 7.651 7.798 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.673 7.204 7.473 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.186 6.609 6.423 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.075 6.059 5.445 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.821 5.896 4.161 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.707 5.350 3.181 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.777 5.834 1.881 1.00 0.00 H new ATOM 196 N VAL A 15 -6.923 4.174 8.329 1.00 0.00 N ATOM 197 CA VAL A 15 -6.225 2.980 7.867 1.00 0.00 C ATOM 198 C VAL A 15 -6.953 1.714 8.303 1.00 0.00 C ATOM 199 O VAL A 15 -7.519 0.996 7.478 1.00 0.00 O ATOM 200 CB VAL A 15 -4.779 2.936 8.397 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.108 1.627 8.008 1.00 0.00 C ATOM 202 CG2 VAL A 15 -3.985 4.126 7.879 1.00 0.00 C ATOM 0 H VAL A 15 -6.367 4.781 8.931 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.205 3.026 6.778 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.807 2.993 9.485 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.087 1.613 8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.666 0.792 8.432 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.089 1.536 6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.966 4.079 8.263 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.963 4.102 6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.456 5.051 8.213 1.00 0.00 H new ATOM 212 N TYR A 16 -6.936 1.447 9.604 1.00 0.00 N ATOM 213 CA TYR A 16 -7.594 0.266 10.150 1.00 0.00 C ATOM 214 C TYR A 16 -8.889 -0.032 9.402 1.00 0.00 C ATOM 215 O TYR A 16 -9.033 -1.086 8.783 1.00 0.00 O ATOM 216 CB TYR A 16 -7.885 0.461 11.639 1.00 0.00 C ATOM 217 CG TYR A 16 -7.861 -0.824 12.435 1.00 0.00 C ATOM 218 CD1 TYR A 16 -6.710 -1.600 12.504 1.00 0.00 C ATOM 219 CD2 TYR A 16 -8.989 -1.264 13.116 1.00 0.00 C ATOM 220 CE1 TYR A 16 -6.683 -2.776 13.229 1.00 0.00 C ATOM 221 CE2 TYR A 16 -8.971 -2.438 13.845 1.00 0.00 C ATOM 222 CZ TYR A 16 -7.816 -3.190 13.898 1.00 0.00 C ATOM 223 OH TYR A 16 -7.794 -4.360 14.621 1.00 0.00 O ATOM 0 H TYR A 16 -6.474 2.032 10.300 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.921 -0.583 10.026 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.151 1.151 12.056 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.863 0.929 11.751 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.821 -1.278 11.982 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.896 -0.679 13.075 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.780 -3.367 13.272 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.856 -2.765 14.370 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.671 -4.507 15.032 1.00 0.00 H new ATOM 233 N GLN A 17 -9.829 0.906 9.463 1.00 0.00 N ATOM 234 CA GLN A 17 -11.113 0.745 8.791 1.00 0.00 C ATOM 235 C GLN A 17 -10.945 0.012 7.464 1.00 0.00 C ATOM 236 O GLN A 17 -11.727 -0.880 7.133 1.00 0.00 O ATOM 237 CB GLN A 17 -11.764 2.110 8.555 1.00 0.00 C ATOM 238 CG GLN A 17 -12.040 2.881 9.835 1.00 0.00 C ATOM 239 CD GLN A 17 -13.331 2.455 10.506 1.00 0.00 C ATOM 240 OE1 GLN A 17 -13.415 1.371 11.084 1.00 0.00 O ATOM 241 NE2 GLN A 17 -14.346 3.308 10.434 1.00 0.00 N ATOM 0 H GLN A 17 -9.726 1.785 9.971 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.759 0.149 9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.115 2.707 7.914 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.701 1.968 8.017 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.210 2.737 10.527 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.086 3.947 9.610 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -14.232 4.196 9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -15.239 3.076 10.868 1.00 0.00 H new ATOM 250 N LEU A 18 -9.922 0.395 6.708 1.00 0.00 N ATOM 251 CA LEU A 18 -9.651 -0.226 5.416 1.00 0.00 C ATOM 252 C LEU A 18 -9.170 -1.663 5.592 1.00 0.00 C ATOM 253 O LEU A 18 -9.815 -2.606 5.132 1.00 0.00 O ATOM 254 CB LEU A 18 -8.605 0.584 4.648 1.00 0.00 C ATOM 255 CG LEU A 18 -8.976 2.034 4.335 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.820 2.744 3.650 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.227 2.089 3.469 1.00 0.00 C ATOM 0 H LEU A 18 -9.267 1.132 6.967 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.580 -0.241 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.679 0.583 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.397 0.072 3.708 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.185 2.547 5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.102 3.775 3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.949 2.735 4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.579 2.232 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.477 3.128 3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.045 1.560 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.056 1.618 3.997 1.00 0.00 H new ATOM 269 N LEU A 19 -8.035 -1.823 6.264 1.00 0.00 N ATOM 270 CA LEU A 19 -7.468 -3.145 6.504 1.00 0.00 C ATOM 271 C LEU A 19 -8.565 -4.163 6.799 1.00 0.00 C ATOM 272 O LEU A 19 -8.661 -5.197 6.139 1.00 0.00 O ATOM 273 CB LEU A 19 -6.477 -3.093 7.668 1.00 0.00 C ATOM 274 CG LEU A 19 -5.024 -2.795 7.300 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.595 -3.627 6.102 1.00 0.00 C ATOM 276 CD2 LEU A 19 -4.840 -1.311 7.014 1.00 0.00 C ATOM 0 H LEU A 19 -7.489 -1.054 6.652 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.942 -3.457 5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.815 -2.334 8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.510 -4.049 8.190 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.393 -3.063 8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.558 -3.401 5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.688 -4.686 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.231 -3.391 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.799 -1.117 6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.483 -1.018 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.106 -0.734 7.900 1.00 0.00 H new ATOM 288 N SER A 20 -9.393 -3.861 7.795 1.00 0.00 N ATOM 289 CA SER A 20 -10.483 -4.750 8.179 1.00 0.00 C ATOM 290 C SER A 20 -11.228 -5.259 6.949 1.00 0.00 C ATOM 291 O SER A 20 -11.440 -6.461 6.792 1.00 0.00 O ATOM 292 CB SER A 20 -11.454 -4.026 9.114 1.00 0.00 C ATOM 293 OG SER A 20 -10.912 -3.907 10.418 1.00 0.00 O ATOM 0 H SER A 20 -9.329 -3.008 8.350 1.00 0.00 H new ATOM 0 HA SER A 20 -10.055 -5.605 8.702 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.676 -3.035 8.717 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.397 -4.571 9.157 1.00 0.00 H new ATOM 0 HG SER A 20 -11.550 -3.439 10.996 1.00 0.00 H new ATOM 299 N ASP A 21 -11.622 -4.335 6.080 1.00 0.00 N ATOM 300 CA ASP A 21 -12.343 -4.689 4.862 1.00 0.00 C ATOM 301 C ASP A 21 -11.387 -5.227 3.802 1.00 0.00 C ATOM 302 O ASP A 21 -10.496 -4.517 3.337 1.00 0.00 O ATOM 303 CB ASP A 21 -13.095 -3.473 4.318 1.00 0.00 C ATOM 304 CG ASP A 21 -14.127 -2.946 5.296 1.00 0.00 C ATOM 305 OD1 ASP A 21 -13.725 -2.413 6.351 1.00 0.00 O ATOM 306 OD2 ASP A 21 -15.336 -3.066 5.006 1.00 0.00 O ATOM 0 H ASP A 21 -11.455 -3.336 6.196 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.061 -5.471 5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.382 -2.682 4.086 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.588 -3.742 3.384 1.00 0.00 H new ATOM 311 N SER A 22 -11.579 -6.488 3.426 1.00 0.00 N ATOM 312 CA SER A 22 -10.731 -7.124 2.424 1.00 0.00 C ATOM 313 C SER A 22 -10.886 -6.441 1.069 1.00 0.00 C ATOM 314 O SER A 22 -9.926 -6.323 0.307 1.00 0.00 O ATOM 315 CB SER A 22 -11.075 -8.609 2.303 1.00 0.00 C ATOM 316 OG SER A 22 -10.821 -9.293 3.518 1.00 0.00 O ATOM 0 H SER A 22 -12.314 -7.089 3.800 1.00 0.00 H new ATOM 0 HA SER A 22 -9.694 -7.024 2.744 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.125 -8.721 2.032 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.489 -9.057 1.501 1.00 0.00 H new ATOM 0 HG SER A 22 -11.051 -10.240 3.414 1.00 0.00 H new ATOM 322 N ARG A 23 -12.103 -5.994 0.774 1.00 0.00 N ATOM 323 CA ARG A 23 -12.386 -5.325 -0.489 1.00 0.00 C ATOM 324 C ARG A 23 -11.338 -4.255 -0.785 1.00 0.00 C ATOM 325 O ARG A 23 -11.121 -3.886 -1.939 1.00 0.00 O ATOM 326 CB ARG A 23 -13.779 -4.694 -0.456 1.00 0.00 C ATOM 327 CG ARG A 23 -14.902 -5.706 -0.302 1.00 0.00 C ATOM 328 CD ARG A 23 -16.247 -5.022 -0.113 1.00 0.00 C ATOM 329 NE ARG A 23 -17.363 -5.932 -0.354 1.00 0.00 N ATOM 330 CZ ARG A 23 -18.591 -5.525 -0.657 1.00 0.00 C ATOM 331 NH1 ARG A 23 -18.858 -4.230 -0.757 1.00 0.00 N ATOM 332 NH2 ARG A 23 -19.554 -6.414 -0.862 1.00 0.00 N ATOM 0 H ARG A 23 -12.908 -6.084 1.393 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.352 -6.072 -1.282 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.827 -3.982 0.368 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.934 -4.128 -1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.939 -6.347 -1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.697 -6.351 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.314 -4.627 0.901 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.320 -4.172 -0.791 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.191 -6.935 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.120 -3.544 -0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.802 -3.920 -0.990 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.352 -7.411 -0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.496 -6.101 -1.095 1.00 0.00 H new ATOM 346 N TYR A 24 -10.693 -3.761 0.266 1.00 0.00 N ATOM 347 CA TYR A 24 -9.670 -2.732 0.120 1.00 0.00 C ATOM 348 C TYR A 24 -8.273 -3.327 0.267 1.00 0.00 C ATOM 349 O TYR A 24 -7.361 -2.678 0.777 1.00 0.00 O ATOM 350 CB TYR A 24 -9.877 -1.627 1.157 1.00 0.00 C ATOM 351 CG TYR A 24 -11.220 -0.940 1.049 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.396 -1.623 1.332 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.312 0.392 0.664 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.625 -0.999 1.235 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.536 1.024 0.565 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.690 0.324 0.851 1.00 0.00 C ATOM 357 OH TYR A 24 -14.912 0.950 0.753 1.00 0.00 O ATOM 0 H TYR A 24 -10.860 -4.056 1.228 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.760 -2.306 -0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.775 -2.053 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.088 -0.883 1.046 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.349 -2.659 1.633 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.411 0.943 0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.530 -1.544 1.459 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.590 2.060 0.265 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.782 1.880 0.472 1.00 0.00 H new ATOM 367 N GLU A 25 -8.115 -4.567 -0.186 1.00 0.00 N ATOM 368 CA GLU A 25 -6.829 -5.251 -0.105 1.00 0.00 C ATOM 369 C GLU A 25 -5.889 -4.774 -1.208 1.00 0.00 C ATOM 370 O GLU A 25 -4.772 -4.336 -0.940 1.00 0.00 O ATOM 371 CB GLU A 25 -7.024 -6.765 -0.205 1.00 0.00 C ATOM 372 CG GLU A 25 -7.251 -7.440 1.138 1.00 0.00 C ATOM 373 CD GLU A 25 -7.799 -8.847 0.999 1.00 0.00 C ATOM 374 OE1 GLU A 25 -8.714 -9.047 0.173 1.00 0.00 O ATOM 375 OE2 GLU A 25 -7.312 -9.747 1.715 1.00 0.00 O ATOM 0 H GLU A 25 -8.860 -5.118 -0.612 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.380 -5.013 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.875 -6.971 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.147 -7.205 -0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.310 -7.473 1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.944 -6.841 1.729 1.00 0.00 H new ATOM 382 N ASN A 26 -6.351 -4.864 -2.451 1.00 0.00 N ATOM 383 CA ASN A 26 -5.552 -4.444 -3.596 1.00 0.00 C ATOM 384 C ASN A 26 -4.890 -3.095 -3.332 1.00 0.00 C ATOM 385 O ASN A 26 -3.776 -2.838 -3.789 1.00 0.00 O ATOM 386 CB ASN A 26 -6.425 -4.359 -4.850 1.00 0.00 C ATOM 387 CG ASN A 26 -7.394 -5.520 -4.960 1.00 0.00 C ATOM 388 OD1 ASN A 26 -8.368 -5.604 -4.212 1.00 0.00 O ATOM 389 ND2 ASN A 26 -7.130 -6.424 -5.897 1.00 0.00 N ATOM 0 H ASN A 26 -7.275 -5.224 -2.691 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.771 -5.188 -3.754 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.984 -3.423 -4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.786 -4.337 -5.733 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.746 -7.228 -6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.311 -6.314 -6.495 1.00 0.00 H new ATOM 396 N PHE A 27 -5.583 -2.238 -2.590 1.00 0.00 N ATOM 397 CA PHE A 27 -5.062 -0.915 -2.264 1.00 0.00 C ATOM 398 C PHE A 27 -4.155 -0.974 -1.038 1.00 0.00 C ATOM 399 O PHE A 27 -3.129 -0.296 -0.980 1.00 0.00 O ATOM 400 CB PHE A 27 -6.213 0.062 -2.013 1.00 0.00 C ATOM 401 CG PHE A 27 -6.944 0.460 -3.264 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.264 1.034 -4.326 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.311 0.262 -3.377 1.00 0.00 C ATOM 404 CE1 PHE A 27 -6.934 1.402 -5.478 1.00 0.00 C ATOM 405 CE2 PHE A 27 -8.985 0.627 -4.526 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.296 1.199 -5.578 1.00 0.00 C ATOM 0 H PHE A 27 -6.506 -2.435 -2.203 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.475 -0.565 -3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.919 -0.392 -1.318 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.821 0.957 -1.530 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.199 1.196 -4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.856 -0.183 -2.557 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.392 1.848 -6.299 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.050 0.465 -4.602 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.822 1.487 -6.477 1.00 0.00 H new ATOM 416 N ILE A 28 -4.542 -1.788 -0.062 1.00 0.00 N ATOM 417 CA ILE A 28 -3.764 -1.937 1.161 1.00 0.00 C ATOM 418 C ILE A 28 -4.110 -3.237 1.879 1.00 0.00 C ATOM 419 O ILE A 28 -5.282 -3.548 2.090 1.00 0.00 O ATOM 420 CB ILE A 28 -3.996 -0.756 2.123 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.056 -0.857 3.326 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.447 -0.722 2.579 1.00 0.00 C ATOM 423 CD1 ILE A 28 -2.965 0.421 4.130 1.00 0.00 C ATOM 0 H ILE A 28 -5.390 -2.354 -0.095 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.715 -1.956 0.866 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.780 0.172 1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.397 -1.663 3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.060 -1.129 2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.595 0.118 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.098 -0.607 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.689 -1.652 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.282 0.277 4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.595 1.225 3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.953 0.683 4.509 1.00 0.00 H new ATOM 435 N ARG A 29 -3.081 -3.992 2.251 1.00 0.00 N ATOM 436 CA ARG A 29 -3.276 -5.259 2.946 1.00 0.00 C ATOM 437 C ARG A 29 -2.334 -5.375 4.141 1.00 0.00 C ATOM 438 O ARG A 29 -1.451 -4.539 4.330 1.00 0.00 O ATOM 439 CB ARG A 29 -3.048 -6.430 1.988 1.00 0.00 C ATOM 440 CG ARG A 29 -1.693 -6.401 1.302 1.00 0.00 C ATOM 441 CD ARG A 29 -1.710 -7.188 0.000 1.00 0.00 C ATOM 442 NE ARG A 29 -0.399 -7.746 -0.319 1.00 0.00 N ATOM 443 CZ ARG A 29 -0.046 -8.143 -1.537 1.00 0.00 C ATOM 444 NH1 ARG A 29 -0.903 -8.045 -2.544 1.00 0.00 N ATOM 445 NH2 ARG A 29 1.166 -8.640 -1.748 1.00 0.00 N ATOM 0 H ARG A 29 -2.105 -3.749 2.083 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.303 -5.290 3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.146 -7.365 2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.830 -6.425 1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.408 -5.368 1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.937 -6.816 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.439 -7.995 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.035 -6.538 -0.812 1.00 0.00 H new ATOM 0 HE ARG A 29 0.283 -7.836 0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.836 -7.664 -2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.630 -8.350 -3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.827 -8.717 -0.975 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.437 -8.945 -2.683 1.00 0.00 H new ATOM 459 N TRP A 30 -2.530 -6.415 4.943 1.00 0.00 N ATOM 460 CA TRP A 30 -1.698 -6.639 6.120 1.00 0.00 C ATOM 461 C TRP A 30 -0.398 -7.339 5.742 1.00 0.00 C ATOM 462 O TRP A 30 -0.413 -8.440 5.192 1.00 0.00 O ATOM 463 CB TRP A 30 -2.457 -7.471 7.155 1.00 0.00 C ATOM 464 CG TRP A 30 -3.430 -6.668 7.965 1.00 0.00 C ATOM 465 CD1 TRP A 30 -4.789 -6.799 7.979 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.117 -5.610 8.877 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.340 -5.885 8.845 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.336 -5.144 9.409 1.00 0.00 C ATOM 469 CE3 TRP A 30 -1.926 -5.011 9.298 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.395 -4.109 10.337 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -1.987 -3.983 10.219 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.214 -3.541 10.731 1.00 0.00 C ATOM 0 H TRP A 30 -3.257 -7.116 4.800 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.454 -5.668 6.552 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.993 -8.271 6.645 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.740 -7.945 7.826 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.348 -7.515 7.396 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.336 -5.776 9.037 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.975 -5.346 8.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.340 -3.766 10.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.073 -3.512 10.550 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.228 -2.736 11.451 1.00 0.00 H new ATOM 483 N GLU A 31 0.725 -6.693 6.040 1.00 0.00 N ATOM 484 CA GLU A 31 2.035 -7.256 5.730 1.00 0.00 C ATOM 485 C GLU A 31 2.429 -8.314 6.756 1.00 0.00 C ATOM 486 O GLU A 31 2.689 -9.465 6.408 1.00 0.00 O ATOM 487 CB GLU A 31 3.092 -6.150 5.688 1.00 0.00 C ATOM 488 CG GLU A 31 2.962 -5.229 4.487 1.00 0.00 C ATOM 489 CD GLU A 31 3.239 -5.937 3.175 1.00 0.00 C ATOM 490 OE1 GLU A 31 2.317 -6.595 2.651 1.00 0.00 O ATOM 491 OE2 GLU A 31 4.378 -5.833 2.674 1.00 0.00 O ATOM 0 H GLU A 31 0.755 -5.781 6.495 1.00 0.00 H new ATOM 0 HA GLU A 31 1.977 -7.730 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.021 -5.557 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.082 -6.606 5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.956 -4.809 4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.654 -4.394 4.598 1.00 0.00 H new ATOM 498 N ASP A 32 2.473 -7.914 8.023 1.00 0.00 N ATOM 499 CA ASP A 32 2.835 -8.826 9.101 1.00 0.00 C ATOM 500 C ASP A 32 1.877 -8.683 10.279 1.00 0.00 C ATOM 501 O ASP A 32 2.164 -7.973 11.244 1.00 0.00 O ATOM 502 CB ASP A 32 4.270 -8.564 9.559 1.00 0.00 C ATOM 503 CG ASP A 32 5.297 -9.129 8.597 1.00 0.00 C ATOM 504 OD1 ASP A 32 5.182 -10.320 8.239 1.00 0.00 O ATOM 505 OD2 ASP A 32 6.218 -8.381 8.204 1.00 0.00 O ATOM 0 H ASP A 32 2.262 -6.964 8.328 1.00 0.00 H new ATOM 0 HA ASP A 32 2.764 -9.845 8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.425 -7.490 9.662 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.420 -9.004 10.545 1.00 0.00 H new ATOM 510 N LYS A 33 0.737 -9.360 10.195 1.00 0.00 N ATOM 511 CA LYS A 33 -0.264 -9.309 11.254 1.00 0.00 C ATOM 512 C LYS A 33 0.388 -9.446 12.626 1.00 0.00 C ATOM 513 O LYS A 33 -0.070 -8.853 13.602 1.00 0.00 O ATOM 514 CB LYS A 33 -1.301 -10.417 11.057 1.00 0.00 C ATOM 515 CG LYS A 33 -2.489 -9.994 10.211 1.00 0.00 C ATOM 516 CD LYS A 33 -3.619 -9.448 11.068 1.00 0.00 C ATOM 517 CE LYS A 33 -3.367 -8.002 11.466 1.00 0.00 C ATOM 518 NZ LYS A 33 -4.523 -7.419 12.201 1.00 0.00 N ATOM 0 H LYS A 33 0.483 -9.951 9.404 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.762 -8.341 11.203 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.819 -11.275 10.588 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.659 -10.746 12.033 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.175 -9.235 9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.848 -10.847 9.634 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.559 -9.517 10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.726 -10.060 11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.475 -7.947 12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.168 -7.409 10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.312 -6.433 12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.369 -7.447 11.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.697 -7.969 13.066 1.00 0.00 H new ATOM 532 N GLU A 34 1.460 -10.229 12.691 1.00 0.00 N ATOM 533 CA GLU A 34 2.174 -10.442 13.945 1.00 0.00 C ATOM 534 C GLU A 34 2.451 -9.115 14.646 1.00 0.00 C ATOM 535 O GLU A 34 2.232 -8.980 15.849 1.00 0.00 O ATOM 536 CB GLU A 34 3.489 -11.181 13.689 1.00 0.00 C ATOM 537 CG GLU A 34 3.305 -12.559 13.077 1.00 0.00 C ATOM 538 CD GLU A 34 2.714 -13.557 14.055 1.00 0.00 C ATOM 539 OE1 GLU A 34 3.401 -13.897 15.041 1.00 0.00 O ATOM 540 OE2 GLU A 34 1.567 -13.998 13.834 1.00 0.00 O ATOM 0 H GLU A 34 1.853 -10.726 11.892 1.00 0.00 H new ATOM 0 HA GLU A 34 1.544 -11.050 14.594 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.111 -10.579 13.027 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.029 -11.280 14.631 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.655 -12.482 12.205 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.268 -12.928 12.725 1.00 0.00 H new ATOM 547 N SER A 35 2.934 -8.140 13.883 1.00 0.00 N ATOM 548 CA SER A 35 3.245 -6.824 14.431 1.00 0.00 C ATOM 549 C SER A 35 2.328 -5.759 13.838 1.00 0.00 C ATOM 550 O SER A 35 2.715 -4.598 13.699 1.00 0.00 O ATOM 551 CB SER A 35 4.707 -6.467 14.155 1.00 0.00 C ATOM 552 OG SER A 35 5.584 -7.315 14.876 1.00 0.00 O ATOM 0 H SER A 35 3.119 -8.236 12.884 1.00 0.00 H new ATOM 0 HA SER A 35 3.084 -6.858 15.509 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.910 -6.552 13.087 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.890 -5.429 14.433 1.00 0.00 H new ATOM 0 HG SER A 35 6.512 -7.068 14.681 1.00 0.00 H new ATOM 558 N LYS A 36 1.111 -6.161 13.490 1.00 0.00 N ATOM 559 CA LYS A 36 0.137 -5.243 12.913 1.00 0.00 C ATOM 560 C LYS A 36 0.802 -4.300 11.915 1.00 0.00 C ATOM 561 O LYS A 36 0.587 -3.088 11.954 1.00 0.00 O ATOM 562 CB LYS A 36 -0.548 -4.433 14.017 1.00 0.00 C ATOM 563 CG LYS A 36 -1.646 -5.195 14.738 1.00 0.00 C ATOM 564 CD LYS A 36 -1.951 -4.583 16.095 1.00 0.00 C ATOM 565 CE LYS A 36 -3.069 -5.330 16.805 1.00 0.00 C ATOM 566 NZ LYS A 36 -2.669 -6.719 17.162 1.00 0.00 N ATOM 0 H LYS A 36 0.775 -7.118 13.598 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.612 -5.833 12.385 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.201 -4.118 14.743 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.971 -3.527 13.582 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.549 -5.198 14.128 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.345 -6.235 14.866 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.053 -4.598 16.712 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.233 -3.538 15.969 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.350 -4.789 17.709 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.950 -5.359 16.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.387 -7.137 17.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.589 -7.291 16.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.751 -6.701 17.651 1.00 0.00 H new ATOM 580 N ILE A 37 1.607 -4.865 11.022 1.00 0.00 N ATOM 581 CA ILE A 37 2.301 -4.074 10.012 1.00 0.00 C ATOM 582 C ILE A 37 1.526 -4.058 8.699 1.00 0.00 C ATOM 583 O ILE A 37 1.106 -5.103 8.200 1.00 0.00 O ATOM 584 CB ILE A 37 3.719 -4.614 9.751 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.556 -4.551 11.031 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.389 -3.826 8.636 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.894 -5.246 10.913 1.00 0.00 C ATOM 0 H ILE A 37 1.795 -5.866 10.977 1.00 0.00 H new ATOM 0 HA ILE A 37 2.374 -3.058 10.401 1.00 0.00 H new ATOM 0 HB ILE A 37 3.643 -5.656 9.439 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.720 -3.507 11.297 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.992 -5.003 11.847 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.391 -4.220 8.463 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.801 -3.916 7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.456 -2.776 8.922 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.433 -5.161 11.857 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.738 -6.299 10.678 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.478 -4.780 10.119 1.00 0.00 H new ATOM 599 N PHE A 38 1.341 -2.866 8.142 1.00 0.00 N ATOM 600 CA PHE A 38 0.618 -2.713 6.885 1.00 0.00 C ATOM 601 C PHE A 38 1.451 -1.938 5.868 1.00 0.00 C ATOM 602 O PHE A 38 2.449 -1.307 6.219 1.00 0.00 O ATOM 603 CB PHE A 38 -0.713 -1.996 7.122 1.00 0.00 C ATOM 604 CG PHE A 38 -0.562 -0.655 7.783 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.122 -0.560 9.093 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.860 0.509 7.093 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.016 0.672 9.704 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.723 1.744 7.698 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.283 1.826 9.005 1.00 0.00 C ATOM 0 H PHE A 38 1.682 -1.992 8.541 1.00 0.00 H new ATOM 0 HA PHE A 38 0.422 -3.708 6.485 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.222 -1.866 6.167 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.352 -2.627 7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.116 -1.459 9.643 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.203 0.451 6.071 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.357 0.733 10.727 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.960 2.644 7.150 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.173 2.790 9.479 1.00 0.00 H new ATOM 619 N ARG A 39 1.035 -1.992 4.607 1.00 0.00 N ATOM 620 CA ARG A 39 1.744 -1.298 3.538 1.00 0.00 C ATOM 621 C ARG A 39 0.786 -0.904 2.418 1.00 0.00 C ATOM 622 O ARG A 39 0.042 -1.739 1.902 1.00 0.00 O ATOM 623 CB ARG A 39 2.862 -2.181 2.981 1.00 0.00 C ATOM 624 CG ARG A 39 3.615 -1.551 1.821 1.00 0.00 C ATOM 625 CD ARG A 39 4.191 -2.607 0.891 1.00 0.00 C ATOM 626 NE ARG A 39 5.212 -2.057 0.004 1.00 0.00 N ATOM 627 CZ ARG A 39 5.697 -2.705 -1.050 1.00 0.00 C ATOM 628 NH1 ARG A 39 5.255 -3.920 -1.345 1.00 0.00 N ATOM 629 NH2 ARG A 39 6.625 -2.138 -1.810 1.00 0.00 N ATOM 0 H ARG A 39 0.211 -2.509 4.300 1.00 0.00 H new ATOM 0 HA ARG A 39 2.181 -0.391 3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.567 -2.407 3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.436 -3.129 2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.944 -0.899 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.420 -0.925 2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.622 -3.415 1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.389 -3.041 0.295 1.00 0.00 H new ATOM 0 HE ARG A 39 5.573 -1.124 0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.542 -4.359 -0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.628 -4.416 -2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.967 -1.204 -1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.996 -2.636 -2.619 1.00 0.00 H new ATOM 643 N ILE A 40 0.811 0.371 2.046 1.00 0.00 N ATOM 644 CA ILE A 40 -0.054 0.875 0.987 1.00 0.00 C ATOM 645 C ILE A 40 0.322 0.274 -0.363 1.00 0.00 C ATOM 646 O ILE A 40 1.269 0.720 -1.011 1.00 0.00 O ATOM 647 CB ILE A 40 0.012 2.411 0.889 1.00 0.00 C ATOM 648 CG1 ILE A 40 -0.755 3.051 2.048 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.547 2.880 -0.446 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.515 4.538 2.182 1.00 0.00 C ATOM 0 H ILE A 40 1.421 1.074 2.463 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.071 0.579 1.243 1.00 0.00 H new ATOM 0 HB ILE A 40 1.055 2.721 0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.822 2.874 1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.469 2.560 2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.494 3.967 -0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.037 2.447 -1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.586 2.562 -0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.090 4.925 3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.546 4.721 2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.828 5.041 1.267 1.00 0.00 H new ATOM 662 N VAL A 41 -0.426 -0.742 -0.782 1.00 0.00 N ATOM 663 CA VAL A 41 -0.174 -1.403 -2.056 1.00 0.00 C ATOM 664 C VAL A 41 -0.131 -0.395 -3.200 1.00 0.00 C ATOM 665 O VAL A 41 0.704 -0.497 -4.099 1.00 0.00 O ATOM 666 CB VAL A 41 -1.248 -2.464 -2.361 1.00 0.00 C ATOM 667 CG1 VAL A 41 -0.913 -3.211 -3.643 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.390 -3.429 -1.194 1.00 0.00 C ATOM 0 H VAL A 41 -1.212 -1.125 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 41 0.796 -1.893 -1.971 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.203 -1.958 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.683 -3.956 -3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.867 -2.506 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.052 -3.706 -3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.153 -4.172 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.438 -3.930 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.681 -2.878 -0.300 1.00 0.00 H new ATOM 678 N ASP A 42 -1.035 0.577 -3.158 1.00 0.00 N ATOM 679 CA ASP A 42 -1.100 1.605 -4.189 1.00 0.00 C ATOM 680 C ASP A 42 -1.666 2.905 -3.626 1.00 0.00 C ATOM 681 O ASP A 42 -2.866 3.033 -3.380 1.00 0.00 O ATOM 682 CB ASP A 42 -1.958 1.127 -5.362 1.00 0.00 C ATOM 683 CG ASP A 42 -1.966 2.114 -6.514 1.00 0.00 C ATOM 684 OD1 ASP A 42 -0.933 2.782 -6.729 1.00 0.00 O ATOM 685 OD2 ASP A 42 -3.004 2.216 -7.199 1.00 0.00 O ATOM 0 H ASP A 42 -1.733 0.674 -2.421 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.087 1.794 -4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.584 0.165 -5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.980 0.965 -5.019 1.00 0.00 H new ATOM 690 N PRO A 43 -0.784 3.893 -3.416 1.00 0.00 N ATOM 691 CA PRO A 43 -1.172 5.200 -2.878 1.00 0.00 C ATOM 692 C PRO A 43 -1.995 6.014 -3.872 1.00 0.00 C ATOM 693 O PRO A 43 -3.002 6.620 -3.508 1.00 0.00 O ATOM 694 CB PRO A 43 0.170 5.885 -2.607 1.00 0.00 C ATOM 695 CG PRO A 43 1.124 5.234 -3.547 1.00 0.00 C ATOM 696 CD PRO A 43 0.661 3.810 -3.687 1.00 0.00 C ATOM 0 HA PRO A 43 -1.804 5.106 -1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.109 6.959 -2.785 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.481 5.751 -1.571 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.127 5.740 -4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.143 5.277 -3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.861 3.419 -4.684 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.165 3.152 -2.979 1.00 0.00 H new ATOM 704 N ASN A 44 -1.559 6.023 -5.127 1.00 0.00 N ATOM 705 CA ASN A 44 -2.255 6.763 -6.173 1.00 0.00 C ATOM 706 C ASN A 44 -3.722 6.349 -6.248 1.00 0.00 C ATOM 707 O ASN A 44 -4.581 7.137 -6.641 1.00 0.00 O ATOM 708 CB ASN A 44 -1.579 6.533 -7.526 1.00 0.00 C ATOM 709 CG ASN A 44 -2.127 7.443 -8.608 1.00 0.00 C ATOM 710 OD1 ASN A 44 -3.117 7.120 -9.264 1.00 0.00 O ATOM 711 ND2 ASN A 44 -1.482 8.588 -8.800 1.00 0.00 N ATOM 0 H ASN A 44 -0.727 5.526 -5.445 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.207 7.824 -5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.506 6.697 -7.426 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.716 5.494 -7.825 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.803 9.241 -9.515 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.665 8.815 -8.232 1.00 0.00 H new ATOM 718 N GLY A 45 -4.001 5.106 -5.866 1.00 0.00 N ATOM 719 CA GLY A 45 -5.364 4.608 -5.897 1.00 0.00 C ATOM 720 C GLY A 45 -6.053 4.724 -4.552 1.00 0.00 C ATOM 721 O GLY A 45 -7.236 5.058 -4.479 1.00 0.00 O ATOM 0 H GLY A 45 -3.307 4.435 -5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.934 5.163 -6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.359 3.564 -6.211 1.00 0.00 H new ATOM 725 N LEU A 46 -5.314 4.445 -3.484 1.00 0.00 N ATOM 726 CA LEU A 46 -5.861 4.517 -2.134 1.00 0.00 C ATOM 727 C LEU A 46 -6.197 5.957 -1.759 1.00 0.00 C ATOM 728 O LEU A 46 -7.310 6.253 -1.326 1.00 0.00 O ATOM 729 CB LEU A 46 -4.868 3.934 -1.127 1.00 0.00 C ATOM 730 CG LEU A 46 -5.211 4.137 0.349 1.00 0.00 C ATOM 731 CD1 LEU A 46 -6.141 3.036 0.836 1.00 0.00 C ATOM 732 CD2 LEU A 46 -3.944 4.179 1.190 1.00 0.00 C ATOM 0 H LEU A 46 -4.334 4.167 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.779 3.930 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.777 2.864 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.889 4.375 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.725 5.092 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.375 3.196 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.062 3.053 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.654 2.068 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.207 4.324 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.402 3.240 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.313 5.003 0.857 1.00 0.00 H new ATOM 744 N ALA A 47 -5.227 6.849 -1.931 1.00 0.00 N ATOM 745 CA ALA A 47 -5.421 8.259 -1.615 1.00 0.00 C ATOM 746 C ALA A 47 -6.791 8.742 -2.078 1.00 0.00 C ATOM 747 O ALA A 47 -7.498 9.432 -1.343 1.00 0.00 O ATOM 748 CB ALA A 47 -4.321 9.098 -2.248 1.00 0.00 C ATOM 0 H ALA A 47 -4.299 6.620 -2.287 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.372 8.373 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.479 10.149 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.352 8.778 -1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.343 8.970 -3.330 1.00 0.00 H new ATOM 754 N ARG A 48 -7.159 8.377 -3.302 1.00 0.00 N ATOM 755 CA ARG A 48 -8.444 8.775 -3.864 1.00 0.00 C ATOM 756 C ARG A 48 -9.579 8.482 -2.888 1.00 0.00 C ATOM 757 O ARG A 48 -10.522 9.264 -2.761 1.00 0.00 O ATOM 758 CB ARG A 48 -8.694 8.048 -5.187 1.00 0.00 C ATOM 759 CG ARG A 48 -7.765 8.485 -6.307 1.00 0.00 C ATOM 760 CD ARG A 48 -7.716 7.455 -7.424 1.00 0.00 C ATOM 761 NE ARG A 48 -8.884 7.537 -8.296 1.00 0.00 N ATOM 762 CZ ARG A 48 -9.242 6.574 -9.138 1.00 0.00 C ATOM 763 NH1 ARG A 48 -8.525 5.461 -9.222 1.00 0.00 N ATOM 764 NH2 ARG A 48 -10.319 6.722 -9.899 1.00 0.00 N ATOM 0 H ARG A 48 -6.585 7.806 -3.923 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.414 9.849 -4.048 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.580 6.975 -5.030 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.726 8.217 -5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.101 9.442 -6.707 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.762 8.640 -5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.812 7.603 -8.014 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.655 6.456 -6.993 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.457 8.380 -8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.696 5.343 -8.639 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.802 4.723 -9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.873 7.576 -9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.593 5.982 -10.545 1.00 0.00 H new ATOM 778 N LEU A 49 -9.483 7.349 -2.200 1.00 0.00 N ATOM 779 CA LEU A 49 -10.501 6.951 -1.234 1.00 0.00 C ATOM 780 C LEU A 49 -10.526 7.905 -0.044 1.00 0.00 C ATOM 781 O LEU A 49 -11.588 8.369 0.370 1.00 0.00 O ATOM 782 CB LEU A 49 -10.245 5.522 -0.753 1.00 0.00 C ATOM 783 CG LEU A 49 -9.907 4.499 -1.837 1.00 0.00 C ATOM 784 CD1 LEU A 49 -8.996 3.414 -1.283 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.178 3.889 -2.411 1.00 0.00 C ATOM 0 H LEU A 49 -8.710 6.690 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.472 6.992 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.426 5.543 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.130 5.176 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.379 5.012 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.766 2.695 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.071 3.864 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.496 2.904 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.917 3.163 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.734 3.391 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.794 4.675 -2.847 1.00 0.00 H new ATOM 797 N TRP A 50 -9.349 8.193 0.500 1.00 0.00 N ATOM 798 CA TRP A 50 -9.235 9.093 1.642 1.00 0.00 C ATOM 799 C TRP A 50 -9.709 10.496 1.278 1.00 0.00 C ATOM 800 O TRP A 50 -10.485 11.109 2.010 1.00 0.00 O ATOM 801 CB TRP A 50 -7.789 9.142 2.136 1.00 0.00 C ATOM 802 CG TRP A 50 -7.458 10.400 2.881 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.801 11.493 2.392 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.766 10.693 4.248 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.683 12.448 3.373 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.268 11.982 4.520 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.417 9.994 5.268 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.399 12.582 5.770 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.547 10.590 6.507 1.00 0.00 C ATOM 810 CH2 TRP A 50 -8.041 11.874 6.750 1.00 0.00 C ATOM 0 H TRP A 50 -8.461 7.817 0.169 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.871 8.710 2.440 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.605 8.285 2.784 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.118 9.046 1.283 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.429 11.592 1.383 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.233 13.357 3.264 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.812 9.005 5.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.008 13.571 5.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -9.047 10.057 7.302 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.160 12.313 7.729 1.00 0.00 H new ATOM 821 N GLY A 51 -9.236 11.000 0.142 1.00 0.00 N ATOM 822 CA GLY A 51 -9.623 12.328 -0.298 1.00 0.00 C ATOM 823 C GLY A 51 -11.074 12.395 -0.731 1.00 0.00 C ATOM 824 O GLY A 51 -11.764 13.378 -0.462 1.00 0.00 O ATOM 0 H GLY A 51 -8.592 10.513 -0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.455 13.039 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.985 12.633 -1.127 1.00 0.00 H new ATOM 828 N ASN A 52 -11.538 11.348 -1.405 1.00 0.00 N ATOM 829 CA ASN A 52 -12.917 11.293 -1.878 1.00 0.00 C ATOM 830 C ASN A 52 -13.883 11.761 -0.794 1.00 0.00 C ATOM 831 O ASN A 52 -14.525 12.804 -0.927 1.00 0.00 O ATOM 832 CB ASN A 52 -13.272 9.870 -2.315 1.00 0.00 C ATOM 833 CG ASN A 52 -14.743 9.719 -2.650 1.00 0.00 C ATOM 834 OD1 ASN A 52 -15.380 10.654 -3.137 1.00 0.00 O ATOM 835 ND2 ASN A 52 -15.291 8.537 -2.390 1.00 0.00 N ATOM 0 H ASN A 52 -10.980 10.526 -1.636 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.008 11.962 -2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.674 9.600 -3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.010 9.172 -1.520 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.277 8.376 -2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.725 7.790 -1.986 1.00 0.00 H new ATOM 842 N HIS A 53 -13.981 10.983 0.279 1.00 0.00 N ATOM 843 CA HIS A 53 -14.868 11.318 1.388 1.00 0.00 C ATOM 844 C HIS A 53 -14.436 12.621 2.054 1.00 0.00 C ATOM 845 O HIS A 53 -15.190 13.216 2.825 1.00 0.00 O ATOM 846 CB HIS A 53 -14.884 10.186 2.416 1.00 0.00 C ATOM 847 CG HIS A 53 -13.711 10.206 3.346 1.00 0.00 C ATOM 848 ND1 HIS A 53 -12.770 9.200 3.392 1.00 0.00 N ATOM 849 CD2 HIS A 53 -13.329 11.119 4.270 1.00 0.00 C ATOM 850 CE1 HIS A 53 -11.860 9.492 4.304 1.00 0.00 C ATOM 851 NE2 HIS A 53 -12.176 10.651 4.851 1.00 0.00 N ATOM 0 H HIS A 53 -13.458 10.117 0.404 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.874 11.450 0.990 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.802 10.250 3.000 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.906 9.230 1.892 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -13.836 12.043 4.506 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.003 8.886 4.559 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -11.649 11.123 5.586 1.00 0.00 H new ATOM 860 N LYS A 54 -13.218 13.059 1.753 1.00 0.00 N ATOM 861 CA LYS A 54 -12.685 14.290 2.322 1.00 0.00 C ATOM 862 C LYS A 54 -12.866 15.458 1.358 1.00 0.00 C ATOM 863 O LYS A 54 -12.221 16.496 1.497 1.00 0.00 O ATOM 864 CB LYS A 54 -11.202 14.120 2.661 1.00 0.00 C ATOM 865 CG LYS A 54 -10.954 13.638 4.080 1.00 0.00 C ATOM 866 CD LYS A 54 -11.237 14.731 5.097 1.00 0.00 C ATOM 867 CE LYS A 54 -9.998 15.568 5.375 1.00 0.00 C ATOM 868 NZ LYS A 54 -9.170 14.988 6.469 1.00 0.00 N ATOM 0 H LYS A 54 -12.581 12.579 1.117 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.238 14.507 3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.757 13.411 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.693 15.073 2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.586 12.774 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.920 13.308 4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.037 15.374 4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.590 14.283 6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.399 15.643 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.297 16.581 5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.949 15.727 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.696 14.220 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.286 14.611 6.072 1.00 0.00 H new ATOM 882 N ASN A 55 -13.749 15.281 0.380 1.00 0.00 N ATOM 883 CA ASN A 55 -14.016 16.321 -0.607 1.00 0.00 C ATOM 884 C ASN A 55 -12.714 16.904 -1.147 1.00 0.00 C ATOM 885 O ASN A 55 -12.575 18.120 -1.280 1.00 0.00 O ATOM 886 CB ASN A 55 -14.868 17.432 0.010 1.00 0.00 C ATOM 887 CG ASN A 55 -16.044 16.889 0.799 1.00 0.00 C ATOM 888 OD1 ASN A 55 -16.698 15.933 0.381 1.00 0.00 O ATOM 889 ND2 ASN A 55 -16.318 17.497 1.947 1.00 0.00 N ATOM 0 H ASN A 55 -14.292 14.427 0.250 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.563 15.870 -1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -14.246 18.042 0.665 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.236 18.086 -0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.097 17.175 2.521 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -15.749 18.286 2.255 1.00 0.00 H new ATOM 896 N ARG A 56 -11.764 16.029 -1.459 1.00 0.00 N ATOM 897 CA ARG A 56 -10.473 16.456 -1.984 1.00 0.00 C ATOM 898 C ARG A 56 -10.141 15.717 -3.277 1.00 0.00 C ATOM 899 O ARG A 56 -9.357 14.767 -3.278 1.00 0.00 O ATOM 900 CB ARG A 56 -9.372 16.217 -0.950 1.00 0.00 C ATOM 901 CG ARG A 56 -9.335 17.262 0.153 1.00 0.00 C ATOM 902 CD ARG A 56 -8.463 18.447 -0.232 1.00 0.00 C ATOM 903 NE ARG A 56 -9.075 19.260 -1.280 1.00 0.00 N ATOM 904 CZ ARG A 56 -8.805 19.117 -2.572 1.00 0.00 C ATOM 905 NH1 ARG A 56 -7.939 18.197 -2.975 1.00 0.00 N ATOM 906 NH2 ARG A 56 -9.403 19.895 -3.466 1.00 0.00 N ATOM 0 H ARG A 56 -11.864 15.019 -1.357 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.532 17.523 -2.200 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.513 15.233 -0.502 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.407 16.201 -1.456 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.347 17.607 0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.955 16.812 1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.283 19.065 0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.492 18.087 -0.573 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.746 19.977 -1.004 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.478 17.596 -2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.734 18.090 -3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.070 20.603 -3.160 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.195 19.785 -4.458 1.00 0.00 H new ATOM 920 N THR A 57 -10.743 16.158 -4.377 1.00 0.00 N ATOM 921 CA THR A 57 -10.512 15.538 -5.676 1.00 0.00 C ATOM 922 C THR A 57 -9.022 15.435 -5.979 1.00 0.00 C ATOM 923 O THR A 57 -8.556 14.431 -6.516 1.00 0.00 O ATOM 924 CB THR A 57 -11.202 16.326 -6.805 1.00 0.00 C ATOM 925 OG1 THR A 57 -10.700 15.901 -8.077 1.00 0.00 O ATOM 926 CG2 THR A 57 -10.973 17.821 -6.639 1.00 0.00 C ATOM 0 H THR A 57 -11.395 16.943 -4.394 1.00 0.00 H new ATOM 0 HA THR A 57 -10.940 14.536 -5.629 1.00 0.00 H new ATOM 0 HB THR A 57 -12.273 16.130 -6.753 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.145 16.406 -8.790 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.470 18.357 -7.448 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.381 18.148 -5.683 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.904 18.031 -6.667 1.00 0.00 H new ATOM 934 N ASN A 58 -8.279 16.481 -5.632 1.00 0.00 N ATOM 935 CA ASN A 58 -6.840 16.507 -5.868 1.00 0.00 C ATOM 936 C ASN A 58 -6.077 16.049 -4.629 1.00 0.00 C ATOM 937 O ASN A 58 -5.020 16.590 -4.303 1.00 0.00 O ATOM 938 CB ASN A 58 -6.393 17.916 -6.264 1.00 0.00 C ATOM 939 CG ASN A 58 -5.045 17.921 -6.959 1.00 0.00 C ATOM 940 OD1 ASN A 58 -4.197 17.067 -6.700 1.00 0.00 O ATOM 941 ND2 ASN A 58 -4.841 18.887 -7.847 1.00 0.00 N ATOM 0 H ASN A 58 -8.649 17.321 -5.187 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.618 15.819 -6.684 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.140 18.360 -6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.342 18.542 -5.373 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.953 18.942 -8.346 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.572 19.574 -8.030 1.00 0.00 H new ATOM 948 N MET A 59 -6.620 15.049 -3.942 1.00 0.00 N ATOM 949 CA MET A 59 -5.989 14.517 -2.740 1.00 0.00 C ATOM 950 C MET A 59 -4.744 13.710 -3.091 1.00 0.00 C ATOM 951 O MET A 59 -4.838 12.582 -3.575 1.00 0.00 O ATOM 952 CB MET A 59 -6.977 13.642 -1.965 1.00 0.00 C ATOM 953 CG MET A 59 -6.328 12.833 -0.853 1.00 0.00 C ATOM 954 SD MET A 59 -5.611 13.871 0.434 1.00 0.00 S ATOM 955 CE MET A 59 -7.089 14.518 1.210 1.00 0.00 C ATOM 0 H MET A 59 -7.495 14.591 -4.197 1.00 0.00 H new ATOM 0 HA MET A 59 -5.690 15.358 -2.114 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.753 14.276 -1.537 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.469 12.961 -2.659 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.072 12.172 -0.408 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.550 12.198 -1.277 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.832 14.956 2.174 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.531 15.282 0.571 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.806 13.710 1.358 1.00 0.00 H new ATOM 965 N THR A 60 -3.576 14.295 -2.844 1.00 0.00 N ATOM 966 CA THR A 60 -2.311 13.632 -3.136 1.00 0.00 C ATOM 967 C THR A 60 -1.731 12.981 -1.885 1.00 0.00 C ATOM 968 O THR A 60 -1.887 13.495 -0.777 1.00 0.00 O ATOM 969 CB THR A 60 -1.279 14.618 -3.714 1.00 0.00 C ATOM 970 OG1 THR A 60 -0.842 15.523 -2.695 1.00 0.00 O ATOM 971 CG2 THR A 60 -1.871 15.402 -4.876 1.00 0.00 C ATOM 0 H THR A 60 -3.480 15.228 -2.442 1.00 0.00 H new ATOM 0 HA THR A 60 -2.521 12.863 -3.879 1.00 0.00 H new ATOM 0 HB THR A 60 -0.427 14.045 -4.080 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.185 16.145 -3.070 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.124 16.092 -5.268 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.176 14.712 -5.663 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.738 15.965 -4.531 1.00 0.00 H new ATOM 979 N TYR A 61 -1.060 11.850 -2.070 1.00 0.00 N ATOM 980 CA TYR A 61 -0.457 11.128 -0.956 1.00 0.00 C ATOM 981 C TYR A 61 0.449 12.045 -0.139 1.00 0.00 C ATOM 982 O TYR A 61 0.471 11.979 1.089 1.00 0.00 O ATOM 983 CB TYR A 61 0.342 9.929 -1.470 1.00 0.00 C ATOM 984 CG TYR A 61 1.090 9.189 -0.383 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.419 8.358 0.506 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.466 9.322 -0.245 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.098 7.680 1.500 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.153 8.647 0.745 1.00 0.00 C ATOM 989 CZ TYR A 61 2.464 7.828 1.615 1.00 0.00 C ATOM 990 OH TYR A 61 3.145 7.155 2.604 1.00 0.00 O ATOM 0 H TYR A 61 -0.920 11.413 -2.981 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.260 10.771 -0.311 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.337 9.237 -1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.054 10.272 -2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.651 8.240 0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.008 9.964 -0.924 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.562 7.038 2.183 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.223 8.760 0.837 1.00 0.00 H new ATOM 0 HH TYR A 61 4.100 7.368 2.546 1.00 0.00 H new ATOM 1000 N GLU A 62 1.194 12.901 -0.832 1.00 0.00 N ATOM 1001 CA GLU A 62 2.102 13.831 -0.172 1.00 0.00 C ATOM 1002 C GLU A 62 1.377 14.618 0.916 1.00 0.00 C ATOM 1003 O GLU A 62 1.939 14.896 1.976 1.00 0.00 O ATOM 1004 CB GLU A 62 2.712 14.794 -1.193 1.00 0.00 C ATOM 1005 CG GLU A 62 3.819 15.665 -0.622 1.00 0.00 C ATOM 1006 CD GLU A 62 5.133 14.921 -0.481 1.00 0.00 C ATOM 1007 OE1 GLU A 62 5.294 14.183 0.513 1.00 0.00 O ATOM 1008 OE2 GLU A 62 6.000 15.078 -1.366 1.00 0.00 O ATOM 0 H GLU A 62 1.186 12.969 -1.850 1.00 0.00 H new ATOM 0 HA GLU A 62 2.900 13.252 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.108 14.219 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.925 15.435 -1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.964 16.531 -1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.513 16.042 0.354 1.00 0.00 H new ATOM 1015 N LYS A 63 0.127 14.976 0.646 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.677 15.731 1.600 1.00 0.00 C ATOM 1017 C LYS A 63 -1.388 14.795 2.573 1.00 0.00 C ATOM 1018 O LYS A 63 -1.938 15.236 3.582 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.704 16.593 0.863 1.00 0.00 C ATOM 1020 CG LYS A 63 -1.081 17.627 -0.060 1.00 0.00 C ATOM 1021 CD LYS A 63 -2.091 18.683 -0.477 1.00 0.00 C ATOM 1022 CE LYS A 63 -1.674 19.373 -1.767 1.00 0.00 C ATOM 1023 NZ LYS A 63 -2.164 18.644 -2.969 1.00 0.00 N ATOM 0 H LYS A 63 -0.352 14.755 -0.227 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.009 16.378 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.358 15.945 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.331 17.102 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.240 18.105 0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.683 17.132 -0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.069 18.220 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.194 19.423 0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.063 20.391 -1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.587 19.446 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.831 19.127 -3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.800 17.670 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.204 18.626 -2.964 1.00 0.00 H new ATOM 1037 N MET A 64 -1.370 13.503 2.263 1.00 0.00 N ATOM 1038 CA MET A 64 -2.011 12.506 3.113 1.00 0.00 C ATOM 1039 C MET A 64 -1.050 12.010 4.189 1.00 0.00 C ATOM 1040 O MET A 64 -1.267 12.237 5.379 1.00 0.00 O ATOM 1041 CB MET A 64 -2.503 11.327 2.270 1.00 0.00 C ATOM 1042 CG MET A 64 -3.573 10.494 2.957 1.00 0.00 C ATOM 1043 SD MET A 64 -4.272 9.233 1.875 1.00 0.00 S ATOM 1044 CE MET A 64 -3.528 7.752 2.555 1.00 0.00 C ATOM 0 H MET A 64 -0.919 13.122 1.431 1.00 0.00 H new ATOM 0 HA MET A 64 -2.865 12.976 3.602 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.898 11.705 1.327 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.656 10.686 2.027 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.145 10.015 3.838 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.370 11.150 3.306 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.174 7.117 1.743 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.688 8.027 3.193 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.268 7.210 3.143 1.00 0.00 H new ATOM 1054 N SER A 65 0.011 11.333 3.763 1.00 0.00 N ATOM 1055 CA SER A 65 1.002 10.802 4.691 1.00 0.00 C ATOM 1056 C SER A 65 1.452 11.875 5.678 1.00 0.00 C ATOM 1057 O SER A 65 1.906 11.568 6.780 1.00 0.00 O ATOM 1058 CB SER A 65 2.210 10.259 3.924 1.00 0.00 C ATOM 1059 OG SER A 65 2.810 11.272 3.135 1.00 0.00 O ATOM 0 H SER A 65 0.207 11.139 2.781 1.00 0.00 H new ATOM 0 HA SER A 65 0.540 9.989 5.251 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.941 9.860 4.627 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.898 9.433 3.285 1.00 0.00 H new ATOM 0 HG SER A 65 2.180 11.565 2.444 1.00 0.00 H new ATOM 1065 N ARG A 66 1.322 13.134 5.273 1.00 0.00 N ATOM 1066 CA ARG A 66 1.716 14.253 6.120 1.00 0.00 C ATOM 1067 C ARG A 66 1.227 14.050 7.551 1.00 0.00 C ATOM 1068 O ARG A 66 1.844 14.528 8.502 1.00 0.00 O ATOM 1069 CB ARG A 66 1.161 15.564 5.560 1.00 0.00 C ATOM 1070 CG ARG A 66 2.102 16.261 4.592 1.00 0.00 C ATOM 1071 CD ARG A 66 3.080 17.169 5.322 1.00 0.00 C ATOM 1072 NE ARG A 66 2.408 18.302 5.952 1.00 0.00 N ATOM 1073 CZ ARG A 66 3.039 19.220 6.676 1.00 0.00 C ATOM 1074 NH1 ARG A 66 4.349 19.140 6.859 1.00 0.00 N ATOM 1075 NH2 ARG A 66 2.358 20.222 7.217 1.00 0.00 N ATOM 0 H ARG A 66 0.947 13.405 4.364 1.00 0.00 H new ATOM 0 HA ARG A 66 2.805 14.303 6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.217 15.362 5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.941 16.238 6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.654 15.516 4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.523 16.847 3.878 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.611 16.594 6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.828 17.536 4.619 1.00 0.00 H new ATOM 0 HE ARG A 66 1.400 18.394 5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.876 18.372 6.443 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.830 19.847 7.415 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.350 20.288 7.077 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.843 20.927 7.773 1.00 0.00 H new ATOM 1089 N ALA A 67 0.113 13.339 7.695 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.458 13.072 9.009 1.00 0.00 C ATOM 1091 C ALA A 67 0.313 11.970 9.729 1.00 0.00 C ATOM 1092 O ALA A 67 0.940 12.211 10.761 1.00 0.00 O ATOM 1093 CB ALA A 67 -1.926 12.693 8.879 1.00 0.00 C ATOM 0 H ALA A 67 -0.412 12.938 6.918 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.380 13.982 9.604 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.340 12.496 9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.473 13.512 8.413 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.018 11.799 8.263 1.00 0.00 H new ATOM 1099 N LEU A 68 0.261 10.762 9.179 1.00 0.00 N ATOM 1100 CA LEU A 68 0.955 9.623 9.770 1.00 0.00 C ATOM 1101 C LEU A 68 2.263 10.059 10.421 1.00 0.00 C ATOM 1102 O LEU A 68 2.653 9.536 11.466 1.00 0.00 O ATOM 1103 CB LEU A 68 1.232 8.561 8.704 1.00 0.00 C ATOM 1104 CG LEU A 68 0.041 7.691 8.298 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.810 7.350 9.511 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.795 8.394 7.238 1.00 0.00 C ATOM 0 H LEU A 68 -0.254 10.546 8.325 1.00 0.00 H new ATOM 0 HA LEU A 68 0.312 9.198 10.541 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.612 9.060 7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.026 7.909 9.067 1.00 0.00 H new ATOM 0 HG LEU A 68 0.422 6.761 7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.652 6.731 9.202 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.207 6.806 10.237 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.182 8.269 9.964 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.638 7.761 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.166 9.339 7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.181 8.586 6.358 1.00 0.00 H new ATOM 1118 N ARG A 69 2.936 11.022 9.799 1.00 0.00 N ATOM 1119 CA ARG A 69 4.200 11.529 10.318 1.00 0.00 C ATOM 1120 C ARG A 69 4.035 12.040 11.747 1.00 0.00 C ATOM 1121 O ARG A 69 4.556 11.448 12.693 1.00 0.00 O ATOM 1122 CB ARG A 69 4.730 12.651 9.423 1.00 0.00 C ATOM 1123 CG ARG A 69 5.629 12.160 8.300 1.00 0.00 C ATOM 1124 CD ARG A 69 7.086 12.118 8.730 1.00 0.00 C ATOM 1125 NE ARG A 69 7.919 11.394 7.774 1.00 0.00 N ATOM 1126 CZ ARG A 69 9.227 11.589 7.642 1.00 0.00 C ATOM 1127 NH1 ARG A 69 9.847 12.481 8.403 1.00 0.00 N ATOM 1128 NH2 ARG A 69 9.916 10.891 6.749 1.00 0.00 N ATOM 0 H ARG A 69 2.626 11.467 8.935 1.00 0.00 H new ATOM 0 HA ARG A 69 4.917 10.708 10.324 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.886 13.190 8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.284 13.362 10.036 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.312 11.165 7.988 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.523 12.815 7.435 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.461 13.136 8.839 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.161 11.644 9.708 1.00 0.00 H new ATOM 0 HE ARG A 69 7.472 10.700 7.174 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.320 13.019 9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.851 12.629 8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.442 10.204 6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.920 11.041 6.648 1.00 0.00 H new ATOM 1142 N HIS A 70 3.306 13.141 11.896 1.00 0.00 N ATOM 1143 CA HIS A 70 3.072 13.731 13.209 1.00 0.00 C ATOM 1144 C HIS A 70 2.931 12.648 14.274 1.00 0.00 C ATOM 1145 O HIS A 70 3.591 12.694 15.312 1.00 0.00 O ATOM 1146 CB HIS A 70 1.817 14.604 13.183 1.00 0.00 C ATOM 1147 CG HIS A 70 2.069 16.002 12.708 1.00 0.00 C ATOM 1148 ND1 HIS A 70 1.990 17.103 13.534 1.00 0.00 N ATOM 1149 CD2 HIS A 70 2.402 16.474 11.484 1.00 0.00 C ATOM 1150 CE1 HIS A 70 2.261 18.193 12.838 1.00 0.00 C ATOM 1151 NE2 HIS A 70 2.515 17.838 11.591 1.00 0.00 N ATOM 0 H HIS A 70 2.867 13.643 11.124 1.00 0.00 H new ATOM 0 HA HIS A 70 3.932 14.352 13.459 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.074 14.138 12.536 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.389 14.641 14.185 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.551 15.887 10.590 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.273 19.202 13.223 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.756 18.474 10.831 1.00 0.00 H new ATOM 1160 N TYR A 71 2.066 11.675 14.010 1.00 0.00 N ATOM 1161 CA TYR A 71 1.835 10.582 14.947 1.00 0.00 C ATOM 1162 C TYR A 71 3.150 9.913 15.338 1.00 0.00 C ATOM 1163 O TYR A 71 3.384 9.616 16.509 1.00 0.00 O ATOM 1164 CB TYR A 71 0.887 9.550 14.336 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.466 10.115 13.965 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -1.501 10.158 14.891 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -0.709 10.606 12.688 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.738 10.673 14.556 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -1.942 11.124 12.344 1.00 0.00 C ATOM 1170 CZ TYR A 71 -2.954 11.155 13.282 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.184 11.669 12.943 1.00 0.00 O ATOM 0 H TYR A 71 1.513 11.621 13.155 1.00 0.00 H new ATOM 0 HA TYR A 71 1.378 10.998 15.845 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.351 9.126 13.446 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.748 8.733 15.044 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -1.335 9.782 15.890 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.080 10.582 11.951 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.532 10.698 15.288 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.113 11.503 11.347 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.168 11.966 12.009 1.00 0.00 H new ATOM 1181 N TYR A 72 4.004 9.680 14.348 1.00 0.00 N ATOM 1182 CA TYR A 72 5.295 9.045 14.585 1.00 0.00 C ATOM 1183 C TYR A 72 5.979 9.643 15.810 1.00 0.00 C ATOM 1184 O TYR A 72 6.463 8.920 16.682 1.00 0.00 O ATOM 1185 CB TYR A 72 6.196 9.198 13.359 1.00 0.00 C ATOM 1186 CG TYR A 72 5.609 8.603 12.099 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.461 7.821 12.145 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.203 8.820 10.862 1.00 0.00 C ATOM 1189 CE1 TYR A 72 3.921 7.275 10.997 1.00 0.00 C ATOM 1190 CE2 TYR A 72 5.670 8.279 9.708 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.529 7.507 9.781 1.00 0.00 C ATOM 1192 OH TYR A 72 3.996 6.965 8.634 1.00 0.00 O ATOM 0 H TYR A 72 3.826 9.921 13.373 1.00 0.00 H new ATOM 0 HA TYR A 72 5.121 7.985 14.769 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.393 10.257 13.193 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.156 8.723 13.562 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.983 7.637 13.096 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.097 9.422 10.801 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.028 6.670 11.051 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.144 8.459 8.754 1.00 0.00 H new ATOM 0 HH TYR A 72 4.068 5.988 8.670 1.00 0.00 H new ATOM 1202 N LYS A 73 6.015 10.970 15.871 1.00 0.00 N ATOM 1203 CA LYS A 73 6.638 11.669 16.989 1.00 0.00 C ATOM 1204 C LYS A 73 5.956 11.307 18.304 1.00 0.00 C ATOM 1205 O LYS A 73 6.607 11.206 19.345 1.00 0.00 O ATOM 1206 CB LYS A 73 6.575 13.183 16.769 1.00 0.00 C ATOM 1207 CG LYS A 73 7.038 13.991 17.969 1.00 0.00 C ATOM 1208 CD LYS A 73 5.884 14.313 18.903 1.00 0.00 C ATOM 1209 CE LYS A 73 6.213 15.489 19.811 1.00 0.00 C ATOM 1210 NZ LYS A 73 6.136 16.787 19.086 1.00 0.00 N ATOM 0 H LYS A 73 5.620 11.583 15.158 1.00 0.00 H new ATOM 0 HA LYS A 73 7.682 11.359 17.044 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.190 13.443 15.907 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.550 13.464 16.525 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.802 13.434 18.511 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.501 14.917 17.628 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.994 14.542 18.317 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.650 13.438 19.509 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.522 15.502 20.654 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.214 15.361 20.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.199 17.570 19.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.923 16.854 18.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.233 16.845 18.574 1.00 0.00 H new ATOM 1224 N LEU A 74 4.643 11.110 18.251 1.00 0.00 N ATOM 1225 CA LEU A 74 3.874 10.757 19.438 1.00 0.00 C ATOM 1226 C LEU A 74 4.161 9.321 19.867 1.00 0.00 C ATOM 1227 O LEU A 74 3.569 8.817 20.820 1.00 0.00 O ATOM 1228 CB LEU A 74 2.378 10.931 19.171 1.00 0.00 C ATOM 1229 CG LEU A 74 1.854 12.368 19.201 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.595 12.494 18.357 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.585 12.808 20.633 1.00 0.00 C ATOM 0 H LEU A 74 4.089 11.189 17.398 1.00 0.00 H new ATOM 0 HA LEU A 74 4.174 11.425 20.246 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.151 10.503 18.195 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.827 10.349 19.910 1.00 0.00 H new ATOM 0 HG LEU A 74 2.617 13.022 18.779 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.236 13.523 18.390 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.819 12.221 17.326 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.174 11.829 18.749 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.213 13.833 20.635 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.840 12.151 21.082 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.509 12.756 21.209 1.00 0.00 H new ATOM 1243 N ASN A 75 5.077 8.670 19.157 1.00 0.00 N ATOM 1244 CA ASN A 75 5.444 7.292 19.464 1.00 0.00 C ATOM 1245 C ASN A 75 4.249 6.360 19.296 1.00 0.00 C ATOM 1246 O ASN A 75 4.002 5.494 20.136 1.00 0.00 O ATOM 1247 CB ASN A 75 5.986 7.194 20.892 1.00 0.00 C ATOM 1248 CG ASN A 75 7.376 7.784 21.025 1.00 0.00 C ATOM 1249 OD1 ASN A 75 7.536 8.948 21.390 1.00 0.00 O ATOM 1250 ND2 ASN A 75 8.391 6.980 20.728 1.00 0.00 N ATOM 0 H ASN A 75 5.578 9.074 18.366 1.00 0.00 H new ATOM 0 HA ASN A 75 6.222 6.984 18.765 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.308 7.711 21.571 1.00 0.00 H new ATOM 0 HB3 ASN A 75 6.007 6.148 21.198 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.350 7.321 20.799 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.212 6.021 20.429 1.00 0.00 H new ATOM 1257 N ILE A 76 3.512 6.542 18.206 1.00 0.00 N ATOM 1258 CA ILE A 76 2.344 5.716 17.927 1.00 0.00 C ATOM 1259 C ILE A 76 2.607 4.767 16.763 1.00 0.00 C ATOM 1260 O ILE A 76 2.319 3.573 16.846 1.00 0.00 O ATOM 1261 CB ILE A 76 1.109 6.578 17.604 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.743 7.454 18.803 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.065 5.694 17.208 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.400 8.407 18.530 1.00 0.00 C ATOM 0 H ILE A 76 3.703 7.254 17.501 1.00 0.00 H new ATOM 0 HA ILE A 76 2.146 5.135 18.828 1.00 0.00 H new ATOM 0 HB ILE A 76 1.348 7.229 16.763 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.478 6.813 19.643 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.619 8.028 19.104 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.930 6.318 16.983 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.200 5.110 16.327 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.307 5.021 18.030 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.604 8.996 19.424 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.130 9.073 17.711 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.290 7.839 18.258 1.00 0.00 H new ATOM 1276 N ILE A 77 3.156 5.306 15.680 1.00 0.00 N ATOM 1277 CA ILE A 77 3.461 4.506 14.500 1.00 0.00 C ATOM 1278 C ILE A 77 4.929 4.642 14.109 1.00 0.00 C ATOM 1279 O ILE A 77 5.536 5.696 14.293 1.00 0.00 O ATOM 1280 CB ILE A 77 2.582 4.913 13.302 1.00 0.00 C ATOM 1281 CG1 ILE A 77 1.103 4.878 13.692 1.00 0.00 C ATOM 1282 CG2 ILE A 77 2.846 3.996 12.117 1.00 0.00 C ATOM 1283 CD1 ILE A 77 0.215 5.679 12.766 1.00 0.00 C ATOM 0 H ILE A 77 3.399 6.293 15.595 1.00 0.00 H new ATOM 0 HA ILE A 77 3.251 3.468 14.758 1.00 0.00 H new ATOM 0 HB ILE A 77 2.837 5.932 13.011 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.763 3.842 13.703 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.994 5.260 14.707 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.218 4.296 11.278 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.895 4.067 11.829 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.615 2.968 12.394 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.819 5.609 13.103 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.529 6.723 12.773 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.294 5.283 11.753 1.00 0.00 H new ATOM 1295 N ARG A 78 5.492 3.567 13.565 1.00 0.00 N ATOM 1296 CA ARG A 78 6.888 3.566 13.147 1.00 0.00 C ATOM 1297 C ARG A 78 7.009 3.257 11.657 1.00 0.00 C ATOM 1298 O ARG A 78 6.781 2.126 11.226 1.00 0.00 O ATOM 1299 CB ARG A 78 7.685 2.542 13.957 1.00 0.00 C ATOM 1300 CG ARG A 78 9.159 2.490 13.592 1.00 0.00 C ATOM 1301 CD ARG A 78 9.883 3.759 14.016 1.00 0.00 C ATOM 1302 NE ARG A 78 11.325 3.556 14.124 1.00 0.00 N ATOM 1303 CZ ARG A 78 12.195 4.545 14.298 1.00 0.00 C ATOM 1304 NH1 ARG A 78 11.771 5.798 14.384 1.00 0.00 N ATOM 1305 NH2 ARG A 78 13.492 4.281 14.387 1.00 0.00 N ATOM 0 H ARG A 78 5.002 2.687 13.404 1.00 0.00 H new ATOM 0 HA ARG A 78 7.296 4.560 13.329 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.590 2.777 15.017 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.248 1.555 13.809 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.623 1.628 14.071 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.264 2.352 12.516 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.681 4.550 13.294 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.491 4.096 14.976 1.00 0.00 H new ATOM 0 HE ARG A 78 11.684 2.603 14.063 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.774 6.005 14.317 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.441 6.555 14.518 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.822 3.318 14.322 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.159 5.041 14.521 1.00 0.00 H new ATOM 1319 N LYS A 79 7.368 4.269 10.875 1.00 0.00 N ATOM 1320 CA LYS A 79 7.520 4.107 9.434 1.00 0.00 C ATOM 1321 C LYS A 79 8.917 3.603 9.088 1.00 0.00 C ATOM 1322 O LYS A 79 9.913 4.274 9.357 1.00 0.00 O ATOM 1323 CB LYS A 79 7.253 5.434 8.720 1.00 0.00 C ATOM 1324 CG LYS A 79 7.588 5.405 7.239 1.00 0.00 C ATOM 1325 CD LYS A 79 7.361 6.760 6.589 1.00 0.00 C ATOM 1326 CE LYS A 79 7.611 6.709 5.090 1.00 0.00 C ATOM 1327 NZ LYS A 79 9.042 6.948 4.758 1.00 0.00 N ATOM 0 H LYS A 79 7.559 5.211 11.215 1.00 0.00 H new ATOM 0 HA LYS A 79 6.793 3.368 9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.202 5.697 8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.836 6.220 9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.628 5.106 7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.975 4.654 6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.339 7.088 6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.022 7.498 7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.306 5.736 4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.993 7.457 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.171 6.905 3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.327 7.887 5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.630 6.219 5.211 1.00 0.00 H new ATOM 1341 N GLU A 80 8.982 2.418 8.489 1.00 0.00 N ATOM 1342 CA GLU A 80 10.258 1.826 8.105 1.00 0.00 C ATOM 1343 C GLU A 80 10.925 2.637 6.998 1.00 0.00 C ATOM 1344 O GLU A 80 10.280 3.092 6.053 1.00 0.00 O ATOM 1345 CB GLU A 80 10.057 0.381 7.643 1.00 0.00 C ATOM 1346 CG GLU A 80 9.603 -0.555 8.750 1.00 0.00 C ATOM 1347 CD GLU A 80 10.731 -0.939 9.689 1.00 0.00 C ATOM 1348 OE1 GLU A 80 11.179 -0.069 10.465 1.00 0.00 O ATOM 1349 OE2 GLU A 80 11.165 -2.109 9.647 1.00 0.00 O ATOM 0 H GLU A 80 8.167 1.850 8.259 1.00 0.00 H new ATOM 0 HA GLU A 80 10.909 1.834 8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.320 0.365 6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.992 0.009 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.807 -0.077 9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.181 -1.457 8.307 1.00 0.00 H new ATOM 1356 N PRO A 81 12.247 2.825 7.117 1.00 0.00 N ATOM 1357 CA PRO A 81 13.030 3.583 6.136 1.00 0.00 C ATOM 1358 C PRO A 81 13.155 2.851 4.804 1.00 0.00 C ATOM 1359 O PRO A 81 12.880 3.416 3.747 1.00 0.00 O ATOM 1360 CB PRO A 81 14.402 3.716 6.804 1.00 0.00 C ATOM 1361 CG PRO A 81 14.484 2.556 7.735 1.00 0.00 C ATOM 1362 CD PRO A 81 13.080 2.312 8.218 1.00 0.00 C ATOM 0 HA PRO A 81 12.564 4.538 5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.205 3.690 6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.491 4.661 7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.881 1.676 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.152 2.772 8.569 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.896 1.253 8.401 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.879 2.837 9.152 1.00 0.00 H new ATOM 1370 N GLY A 82 13.571 1.590 4.863 1.00 0.00 N ATOM 1371 CA GLY A 82 13.724 0.801 3.655 1.00 0.00 C ATOM 1372 C GLY A 82 12.399 0.525 2.971 1.00 0.00 C ATOM 1373 O GLY A 82 12.039 1.199 2.007 1.00 0.00 O ATOM 0 H GLY A 82 13.805 1.100 5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.384 1.325 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.206 -0.145 3.901 1.00 0.00 H new ATOM 1377 N GLN A 83 11.674 -0.471 3.471 1.00 0.00 N ATOM 1378 CA GLN A 83 10.383 -0.837 2.900 1.00 0.00 C ATOM 1379 C GLN A 83 9.629 0.400 2.423 1.00 0.00 C ATOM 1380 O GLN A 83 9.500 1.381 3.155 1.00 0.00 O ATOM 1381 CB GLN A 83 9.543 -1.596 3.928 1.00 0.00 C ATOM 1382 CG GLN A 83 10.204 -2.869 4.433 1.00 0.00 C ATOM 1383 CD GLN A 83 10.227 -3.967 3.388 1.00 0.00 C ATOM 1384 OE1 GLN A 83 11.142 -4.040 2.568 1.00 0.00 O ATOM 1385 NE2 GLN A 83 9.218 -4.830 3.413 1.00 0.00 N ATOM 0 H GLN A 83 11.958 -1.038 4.270 1.00 0.00 H new ATOM 0 HA GLN A 83 10.564 -1.484 2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.341 -0.941 4.775 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.580 -1.848 3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 83 11.225 -2.646 4.743 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.673 -3.224 5.316 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.480 -4.732 4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.181 -5.591 2.735 1.00 0.00 H new ATOM 1394 N ARG A 84 9.133 0.347 1.191 1.00 0.00 N ATOM 1395 CA ARG A 84 8.393 1.464 0.616 1.00 0.00 C ATOM 1396 C ARG A 84 6.993 1.554 1.216 1.00 0.00 C ATOM 1397 O ARG A 84 6.353 0.536 1.482 1.00 0.00 O ATOM 1398 CB ARG A 84 8.300 1.313 -0.903 1.00 0.00 C ATOM 1399 CG ARG A 84 7.994 2.614 -1.627 1.00 0.00 C ATOM 1400 CD ARG A 84 7.761 2.385 -3.112 1.00 0.00 C ATOM 1401 NE ARG A 84 8.954 1.869 -3.779 1.00 0.00 N ATOM 1402 CZ ARG A 84 9.010 1.598 -5.078 1.00 0.00 C ATOM 1403 NH1 ARG A 84 7.946 1.793 -5.846 1.00 0.00 N ATOM 1404 NH2 ARG A 84 10.131 1.131 -5.612 1.00 0.00 N ATOM 0 H ARG A 84 9.230 -0.458 0.572 1.00 0.00 H new ATOM 0 HA ARG A 84 8.930 2.383 0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.241 0.911 -1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.525 0.584 -1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.111 3.078 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.821 3.310 -1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.938 1.683 -3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.460 3.322 -3.581 1.00 0.00 H new ATOM 0 HE ARG A 84 9.789 1.708 -3.216 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.082 2.152 -5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.992 1.584 -6.843 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.951 0.980 -5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.173 0.923 -6.610 1.00 0.00 H new ATOM 1418 N LEU A 85 6.524 2.779 1.427 1.00 0.00 N ATOM 1419 CA LEU A 85 5.199 3.003 1.996 1.00 0.00 C ATOM 1420 C LEU A 85 4.857 1.926 3.021 1.00 0.00 C ATOM 1421 O LEU A 85 3.768 1.352 2.994 1.00 0.00 O ATOM 1422 CB LEU A 85 4.144 3.024 0.889 1.00 0.00 C ATOM 1423 CG LEU A 85 3.967 4.353 0.154 1.00 0.00 C ATOM 1424 CD1 LEU A 85 4.892 4.424 -1.051 1.00 0.00 C ATOM 1425 CD2 LEU A 85 2.518 4.539 -0.271 1.00 0.00 C ATOM 0 H LEU A 85 7.041 3.632 1.213 1.00 0.00 H new ATOM 0 HA LEU A 85 5.206 3.969 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.400 2.258 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.185 2.742 1.324 1.00 0.00 H new ATOM 0 HG LEU A 85 4.231 5.161 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.752 5.377 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.927 4.338 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.661 3.608 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.411 5.490 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.227 3.726 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.877 4.534 0.610 1.00 0.00 H new ATOM 1437 N LEU A 86 5.793 1.659 3.924 1.00 0.00 N ATOM 1438 CA LEU A 86 5.590 0.652 4.961 1.00 0.00 C ATOM 1439 C LEU A 86 5.271 1.307 6.301 1.00 0.00 C ATOM 1440 O LEU A 86 5.914 2.279 6.697 1.00 0.00 O ATOM 1441 CB LEU A 86 6.834 -0.229 5.094 1.00 0.00 C ATOM 1442 CG LEU A 86 6.591 -1.668 5.551 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.775 -1.690 6.833 1.00 0.00 C ATOM 1444 CD2 LEU A 86 5.893 -2.464 4.458 1.00 0.00 C ATOM 0 H LEU A 86 6.700 2.125 3.960 1.00 0.00 H new ATOM 0 HA LEU A 86 4.742 0.032 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.341 -0.256 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.517 0.245 5.799 1.00 0.00 H new ATOM 0 HG LEU A 86 7.556 -2.133 5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.612 -2.722 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.314 -1.157 7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.813 -1.207 6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.728 -3.486 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.934 -2.000 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.516 -2.477 3.564 1.00 0.00 H new ATOM 1456 N PHE A 87 4.276 0.766 6.996 1.00 0.00 N ATOM 1457 CA PHE A 87 3.872 1.296 8.293 1.00 0.00 C ATOM 1458 C PHE A 87 3.723 0.175 9.317 1.00 0.00 C ATOM 1459 O PHE A 87 3.124 -0.863 9.034 1.00 0.00 O ATOM 1460 CB PHE A 87 2.555 2.064 8.165 1.00 0.00 C ATOM 1461 CG PHE A 87 2.567 3.099 7.077 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.478 4.142 7.105 1.00 0.00 C ATOM 1463 CD2 PHE A 87 1.667 3.028 6.025 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.490 5.096 6.105 1.00 0.00 C ATOM 1465 CE2 PHE A 87 1.675 3.979 5.022 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.589 5.014 5.062 1.00 0.00 C ATOM 0 H PHE A 87 3.734 -0.039 6.683 1.00 0.00 H new ATOM 0 HA PHE A 87 4.650 1.977 8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.748 1.356 7.973 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.333 2.550 9.115 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.187 4.211 7.917 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.951 2.220 5.989 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.204 5.906 6.139 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.968 3.913 4.208 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.599 5.758 4.279 1.00 0.00 H new ATOM 1476 N ARG A 88 4.274 0.392 10.507 1.00 0.00 N ATOM 1477 CA ARG A 88 4.205 -0.600 11.573 1.00 0.00 C ATOM 1478 C ARG A 88 3.509 -0.028 12.804 1.00 0.00 C ATOM 1479 O ARG A 88 3.984 0.935 13.407 1.00 0.00 O ATOM 1480 CB ARG A 88 5.609 -1.080 11.944 1.00 0.00 C ATOM 1481 CG ARG A 88 5.663 -1.851 13.253 1.00 0.00 C ATOM 1482 CD ARG A 88 7.095 -2.036 13.732 1.00 0.00 C ATOM 1483 NE ARG A 88 7.248 -3.238 14.546 1.00 0.00 N ATOM 1484 CZ ARG A 88 8.398 -3.889 14.686 1.00 0.00 C ATOM 1485 NH1 ARG A 88 9.488 -3.456 14.069 1.00 0.00 N ATOM 1486 NH2 ARG A 88 8.458 -4.976 15.445 1.00 0.00 N ATOM 0 H ARG A 88 4.773 1.246 10.757 1.00 0.00 H new ATOM 0 HA ARG A 88 3.623 -1.447 11.209 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.991 -1.713 11.143 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.272 -0.218 12.012 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.090 -1.320 14.013 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.193 -2.826 13.122 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.761 -2.094 12.871 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.399 -1.164 14.312 1.00 0.00 H new ATOM 0 HE ARG A 88 6.428 -3.598 15.034 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.446 -2.621 13.485 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.369 -3.958 14.178 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.621 -5.312 15.921 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.341 -5.475 15.552 1.00 0.00 H new ATOM 1500 N PHE A 89 2.381 -0.626 13.172 1.00 0.00 N ATOM 1501 CA PHE A 89 1.619 -0.175 14.330 1.00 0.00 C ATOM 1502 C PHE A 89 2.166 -0.791 15.615 1.00 0.00 C ATOM 1503 O PHE A 89 1.652 -1.799 16.100 1.00 0.00 O ATOM 1504 CB PHE A 89 0.141 -0.537 14.167 1.00 0.00 C ATOM 1505 CG PHE A 89 -0.665 0.530 13.483 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -0.764 1.800 14.030 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.325 0.264 12.294 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -1.505 2.784 13.403 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.067 1.244 11.663 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.158 2.505 12.219 1.00 0.00 C ATOM 0 H PHE A 89 1.974 -1.424 12.685 1.00 0.00 H new ATOM 0 HA PHE A 89 1.716 0.909 14.397 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.063 -1.462 13.596 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.288 -0.731 15.150 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.256 2.023 14.957 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.259 -0.721 11.855 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.573 3.770 13.839 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.575 1.024 10.736 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.739 3.272 11.728 1.00 0.00 H new ATOM 1520 N MET A 90 3.211 -0.177 16.159 1.00 0.00 N ATOM 1521 CA MET A 90 3.828 -0.664 17.388 1.00 0.00 C ATOM 1522 C MET A 90 2.768 -1.015 18.427 1.00 0.00 C ATOM 1523 O MET A 90 2.547 -2.187 18.733 1.00 0.00 O ATOM 1524 CB MET A 90 4.786 0.386 17.954 1.00 0.00 C ATOM 1525 CG MET A 90 5.870 0.809 16.976 1.00 0.00 C ATOM 1526 SD MET A 90 6.581 2.416 17.380 1.00 0.00 S ATOM 1527 CE MET A 90 7.953 1.927 18.424 1.00 0.00 C ATOM 0 H MET A 90 3.648 0.658 15.769 1.00 0.00 H new ATOM 0 HA MET A 90 4.390 -1.567 17.149 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.214 1.265 18.252 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.255 -0.010 18.855 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.660 0.058 16.968 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.453 0.843 15.970 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.493 2.814 18.755 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.575 1.387 19.292 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.627 1.282 17.861 1.00 0.00 H new ATOM 1537 N LYS A 91 2.114 0.008 18.967 1.00 0.00 N ATOM 1538 CA LYS A 91 1.076 -0.190 19.971 1.00 0.00 C ATOM 1539 C LYS A 91 -0.311 -0.006 19.363 1.00 0.00 C ATOM 1540 O LYS A 91 -0.457 0.574 18.287 1.00 0.00 O ATOM 1541 CB LYS A 91 1.269 0.785 21.134 1.00 0.00 C ATOM 1542 CG LYS A 91 0.803 0.237 22.472 1.00 0.00 C ATOM 1543 CD LYS A 91 1.749 -0.830 22.997 1.00 0.00 C ATOM 1544 CE LYS A 91 1.306 -1.348 24.356 1.00 0.00 C ATOM 1545 NZ LYS A 91 1.919 -2.667 24.674 1.00 0.00 N ATOM 0 H LYS A 91 2.285 0.984 18.725 1.00 0.00 H new ATOM 0 HA LYS A 91 1.157 -1.211 20.345 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.325 1.047 21.206 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.726 1.706 20.919 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.733 1.050 23.195 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.197 -0.183 22.366 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.795 -1.657 22.289 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.756 -0.419 23.074 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.578 -0.626 25.126 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.220 -1.439 24.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.592 -2.986 25.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.639 -3.363 23.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.955 -2.575 24.683 1.00 0.00 H new ATOM 1559 N THR A 92 -1.329 -0.502 20.061 1.00 0.00 N ATOM 1560 CA THR A 92 -2.704 -0.392 19.590 1.00 0.00 C ATOM 1561 C THR A 92 -3.145 1.066 19.519 1.00 0.00 C ATOM 1562 O THR A 92 -3.017 1.826 20.478 1.00 0.00 O ATOM 1563 CB THR A 92 -3.674 -1.165 20.503 1.00 0.00 C ATOM 1564 OG1 THR A 92 -3.353 -2.561 20.487 1.00 0.00 O ATOM 1565 CG2 THR A 92 -5.114 -0.965 20.056 1.00 0.00 C ATOM 0 H THR A 92 -1.226 -0.984 20.954 1.00 0.00 H new ATOM 0 HA THR A 92 -2.732 -0.827 18.591 1.00 0.00 H new ATOM 0 HB THR A 92 -3.569 -0.780 21.517 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.973 -3.046 21.071 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.780 -1.521 20.716 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.364 0.095 20.097 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.231 -1.326 19.034 1.00 0.00 H new ATOM 1573 N PRO A 93 -3.678 1.467 18.355 1.00 0.00 N ATOM 1574 CA PRO A 93 -4.150 2.836 18.131 1.00 0.00 C ATOM 1575 C PRO A 93 -5.410 3.153 18.929 1.00 0.00 C ATOM 1576 O PRO A 93 -5.648 4.302 19.300 1.00 0.00 O ATOM 1577 CB PRO A 93 -4.447 2.868 16.629 1.00 0.00 C ATOM 1578 CG PRO A 93 -4.728 1.450 16.269 1.00 0.00 C ATOM 1579 CD PRO A 93 -3.861 0.614 17.168 1.00 0.00 C ATOM 0 HA PRO A 93 -3.417 3.577 18.451 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.300 3.509 16.408 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -3.600 3.259 16.066 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.782 1.213 16.413 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.499 1.261 15.220 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.340 -0.331 17.423 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.909 0.372 16.696 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.213 2.127 19.190 1.00 0.00 N ATOM 1588 CA ASP A 94 -7.448 2.296 19.946 1.00 0.00 C ATOM 1589 C ASP A 94 -7.156 2.462 21.434 1.00 0.00 C ATOM 1590 O ASP A 94 -7.998 2.942 22.192 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.374 1.099 19.726 1.00 0.00 C ATOM 1592 CG ASP A 94 -9.202 1.232 18.464 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -8.715 1.854 17.497 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -10.337 0.712 18.442 1.00 0.00 O ATOM 0 H ASP A 94 -6.030 1.170 18.889 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.943 3.199 19.588 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.778 0.188 19.672 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.039 0.995 20.584 1.00 0.00 H new ATOM 1599 N GLU A 95 -5.957 2.061 21.845 1.00 0.00 N ATOM 1600 CA GLU A 95 -5.555 2.164 23.243 1.00 0.00 C ATOM 1601 C GLU A 95 -4.820 3.476 23.503 1.00 0.00 C ATOM 1602 O GLU A 95 -5.047 4.137 24.516 1.00 0.00 O ATOM 1603 CB GLU A 95 -4.664 0.982 23.630 1.00 0.00 C ATOM 1604 CG GLU A 95 -3.647 1.314 24.709 1.00 0.00 C ATOM 1605 CD GLU A 95 -4.245 2.121 25.845 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -5.451 1.953 26.121 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -3.508 2.922 26.457 1.00 0.00 O ATOM 0 H GLU A 95 -5.248 1.662 21.230 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.457 2.145 23.855 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.293 0.162 23.976 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.138 0.629 22.743 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.229 0.389 25.106 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.822 1.872 24.266 1.00 0.00 H new ATOM 1794 N LEU A 107 -4.840 17.309 14.609 1.00 0.00 N ATOM 1795 CA LEU A 107 -4.244 16.710 13.419 1.00 0.00 C ATOM 1796 C LEU A 107 -5.265 16.612 12.289 1.00 0.00 C ATOM 1797 O LEU A 107 -4.976 16.970 11.148 1.00 0.00 O ATOM 1798 CB LEU A 107 -3.693 15.321 13.745 1.00 0.00 C ATOM 1799 CG LEU A 107 -2.247 15.272 14.240 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -1.287 15.649 13.123 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -2.063 16.192 15.439 1.00 0.00 C ATOM 0 HA LEU A 107 -3.426 17.351 13.090 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.331 14.868 14.504 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.771 14.702 12.851 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.024 14.252 14.552 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.263 15.608 13.494 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.401 14.950 12.294 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.508 16.659 12.779 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.028 16.145 15.778 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.305 17.216 15.153 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.724 15.875 16.246 1.00 0.00 H new ATOM 1813 N GLU A 108 -6.459 16.128 12.617 1.00 0.00 N ATOM 1814 CA GLU A 108 -7.522 15.985 11.630 1.00 0.00 C ATOM 1815 C GLU A 108 -7.470 17.117 10.607 1.00 0.00 C ATOM 1816 O GLU A 108 -7.661 16.896 9.411 1.00 0.00 O ATOM 1817 CB GLU A 108 -8.888 15.967 12.318 1.00 0.00 C ATOM 1818 CG GLU A 108 -10.044 15.695 11.369 1.00 0.00 C ATOM 1819 CD GLU A 108 -10.600 16.962 10.749 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -11.194 17.774 11.488 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -10.439 17.142 9.523 1.00 0.00 O ATOM 0 H GLU A 108 -6.714 15.829 13.558 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.374 15.040 11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -8.883 15.206 13.098 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.050 16.926 12.810 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.709 15.024 10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.839 15.180 11.909 1.00 0.00 H new ATOM 1828 N SER A 109 -7.211 18.329 11.087 1.00 0.00 N ATOM 1829 CA SER A 109 -7.138 19.496 10.217 1.00 0.00 C ATOM 1830 C SER A 109 -5.911 20.342 10.544 1.00 0.00 C ATOM 1831 O SER A 109 -6.025 21.532 10.835 1.00 0.00 O ATOM 1832 CB SER A 109 -8.406 20.341 10.355 1.00 0.00 C ATOM 1833 OG SER A 109 -8.568 21.203 9.242 1.00 0.00 O ATOM 0 H SER A 109 -7.048 18.528 12.074 1.00 0.00 H new ATOM 0 HA SER A 109 -7.053 19.147 9.188 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.274 19.688 10.443 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.356 20.930 11.271 1.00 0.00 H new ATOM 0 HG SER A 109 -9.386 21.731 9.353 1.00 0.00 H new ATOM 1839 N GLN A 110 -4.739 19.718 10.493 1.00 0.00 N ATOM 1840 CA GLN A 110 -3.491 20.413 10.784 1.00 0.00 C ATOM 1841 C GLN A 110 -2.574 20.421 9.565 1.00 0.00 C ATOM 1842 O GLN A 110 -1.980 21.445 9.232 1.00 0.00 O ATOM 1843 CB GLN A 110 -2.779 19.753 11.967 1.00 0.00 C ATOM 1844 CG GLN A 110 -1.374 20.282 12.204 1.00 0.00 C ATOM 1845 CD GLN A 110 -1.353 21.767 12.508 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -2.391 22.372 12.779 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -0.168 22.364 12.464 1.00 0.00 N ATOM 0 H GLN A 110 -4.628 18.733 10.253 1.00 0.00 H new ATOM 0 HA GLN A 110 -3.731 21.444 11.042 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.372 19.906 12.868 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -2.729 18.678 11.796 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -0.920 19.739 13.033 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.763 20.087 11.323 1.00 0.00 H new ATOM 0 HE21 GLN A 110 0.667 21.824 12.235 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.092 23.362 12.659 1.00 0.00 H new ATOM 1856 N GLU A 111 -2.466 19.272 8.905 1.00 0.00 N ATOM 1857 CA GLU A 111 -1.621 19.148 7.723 1.00 0.00 C ATOM 1858 C GLU A 111 -2.467 18.992 6.463 1.00 0.00 C ATOM 1859 O GLU A 111 -2.158 18.180 5.590 1.00 0.00 O ATOM 1860 CB GLU A 111 -0.676 17.953 7.867 1.00 0.00 C ATOM 1861 CG GLU A 111 -1.384 16.659 8.232 1.00 0.00 C ATOM 1862 CD GLU A 111 -1.497 16.458 9.731 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -0.491 16.678 10.437 1.00 0.00 O ATOM 1864 OE2 GLU A 111 -2.592 16.080 10.197 1.00 0.00 O ATOM 0 H GLU A 111 -2.952 18.415 9.168 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.031 20.060 7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -0.138 17.811 6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 111 0.068 18.179 8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.382 16.659 7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.844 15.818 7.796 1.00 0.00 H new ATOM 1871 N LEU A 112 -3.537 19.775 6.375 1.00 0.00 N ATOM 1872 CA LEU A 112 -4.430 19.724 5.222 1.00 0.00 C ATOM 1873 C LEU A 112 -4.595 21.107 4.600 1.00 0.00 C ATOM 1874 O LEU A 112 -4.348 22.124 5.249 1.00 0.00 O ATOM 1875 CB LEU A 112 -5.795 19.171 5.634 1.00 0.00 C ATOM 1876 CG LEU A 112 -5.846 17.676 5.952 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -7.231 17.281 6.439 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -5.454 16.857 4.731 1.00 0.00 C ATOM 0 H LEU A 112 -3.807 20.453 7.088 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.986 19.062 4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.137 19.720 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.505 19.376 4.832 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.131 17.469 6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.248 16.214 6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.473 17.843 7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.966 17.503 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.496 15.796 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.144 17.068 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.441 17.119 4.427 1.00 0.00 H new