USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 993 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 65 THR OG1 : rot 151:sc= 1.01 USER MOD Set 1.2: A 67 THR OG1 : rot 79:sc= 1.04 USER MOD Set 2.1: A 50 MET CE :methyl 145:sc= -3.08! (180deg=-3.94!) USER MOD Set 2.2: A 62 HIS : no HD1:sc= -8.67! C(o=-12!,f=-20!) USER MOD Set 3.1: A 39 LYS NZ :NH3+ 160:sc= -1.09 (180deg=-2.09!) USER MOD Set 3.2: A 43 ASN : amide:sc= 0.616 K(o=-0.47,f=-13!) USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= 0.922 (180deg=0.439) USER MOD Single : A 11 TYR OH : rot 165:sc= 0.193 USER MOD Single : A 12 SER OG : rot 35:sc= 0.0978 USER MOD Single : A 13 GLN : amide:sc=-0.00319 X(o=-0.0032,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= 1.06 (180deg=0.582) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= 1.17 (180deg=-0.414) USER MOD Single : A 34 ASN : amide:sc= -6.19! C(o=-6.2!,f=-3.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.38 K(o=-1.4,f=-5.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 179:sc=-0.00181 (180deg=-0.00285) USER MOD Single : A 54 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.2) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 170:sc= -2.06! USER MOD Single : A 61 ASN : amide:sc= -1.02 K(o=-1,f=-2.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 68 MET CE :methyl 162:sc= -1.2 (180deg=-1.95!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= -0.0336 (180deg=-0.203) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 160:sc= -0.0839 USER MOD Single : A 81 MET CE :methyl -170:sc= 0 (180deg=-0.0454) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 88 SER OG : rot 120:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 150:sc= -1.55 (180deg=-2.7!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= 1.19 (180deg=1.08) USER MOD Single : A 102 LYS NZ :NH3+ -171:sc= -0.0623 (180deg=-0.216) USER MOD Single : A 103 THR OG1 : rot -179:sc= -1.02 USER MOD Single : A 111 LYS NZ :NH3+ 166:sc= 1.06 (180deg=0.35) USER MOD Single : A 112 GLN : amide:sc= 0.536 K(o=0.54,f=-0.39) USER MOD Single : A 113 LYS NZ :NH3+ 167:sc= -0.0273 (180deg=-0.272) USER MOD Single : A 117 CYS SG : rot 70:sc= -1.15 USER MOD Single : A 118 GLN : amide:sc= -2.75 K(o=-2.8,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 5 -10.455 -6.191 -11.949 1.00 0.00 N ATOM 44 CA GLU A 5 -10.863 -5.194 -12.823 1.00 0.00 C ATOM 45 C GLU A 5 -11.296 -4.056 -11.994 1.00 0.00 C ATOM 46 O GLU A 5 -11.677 -4.239 -10.839 1.00 0.00 O ATOM 47 CB GLU A 5 -11.959 -5.619 -13.782 1.00 0.00 C ATOM 48 CG GLU A 5 -13.331 -5.636 -13.200 1.00 0.00 C ATOM 49 CD GLU A 5 -13.651 -6.849 -12.356 1.00 0.00 C ATOM 50 OE1 GLU A 5 -14.145 -7.852 -12.913 1.00 0.00 O ATOM 51 OE2 GLU A 5 -13.459 -6.807 -11.125 1.00 0.00 O ATOM 0 HA GLU A 5 -10.027 -4.932 -13.472 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.952 -4.946 -14.639 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.727 -6.616 -14.157 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.462 -4.742 -12.590 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.055 -5.576 -14.013 1.00 0.00 H new ATOM 58 N ASP A 6 -11.132 -2.916 -12.558 1.00 0.00 N ATOM 59 CA ASP A 6 -11.574 -1.618 -12.016 1.00 0.00 C ATOM 60 C ASP A 6 -10.524 -0.845 -11.286 1.00 0.00 C ATOM 61 O ASP A 6 -10.652 0.351 -11.060 1.00 0.00 O ATOM 62 CB ASP A 6 -12.926 -1.716 -11.319 1.00 0.00 C ATOM 63 CG ASP A 6 -13.284 -0.576 -10.378 1.00 0.00 C ATOM 64 OD1 ASP A 6 -13.753 0.483 -10.850 1.00 0.00 O ATOM 65 OD2 ASP A 6 -13.163 -0.750 -9.139 1.00 0.00 O ATOM 0 H ASP A 6 -10.664 -2.823 -13.460 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.747 -0.978 -12.881 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.700 -1.785 -12.083 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.952 -2.647 -10.753 1.00 0.00 H new ATOM 70 N GLU A 7 -9.470 -1.465 -11.008 1.00 0.00 N ATOM 71 CA GLU A 7 -8.417 -0.797 -10.423 1.00 0.00 C ATOM 72 C GLU A 7 -7.329 -0.739 -11.379 1.00 0.00 C ATOM 73 O GLU A 7 -7.023 -1.710 -12.090 1.00 0.00 O ATOM 74 CB GLU A 7 -8.041 -1.320 -9.012 1.00 0.00 C ATOM 75 CG GLU A 7 -7.662 -2.791 -8.892 1.00 0.00 C ATOM 76 CD GLU A 7 -8.802 -3.717 -9.186 1.00 0.00 C ATOM 77 OE1 GLU A 7 -9.740 -3.799 -8.363 1.00 0.00 O ATOM 78 OE2 GLU A 7 -8.762 -4.383 -10.235 1.00 0.00 O ATOM 0 H GLU A 7 -9.314 -2.458 -11.182 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.716 0.226 -10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.206 -0.725 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.884 -1.133 -8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.841 -3.006 -9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.295 -2.985 -7.884 1.00 0.00 H new ATOM 85 N LYS A 8 -6.745 0.375 -11.398 1.00 0.00 N ATOM 86 CA LYS A 8 -5.787 0.659 -12.369 1.00 0.00 C ATOM 87 C LYS A 8 -4.476 1.045 -11.757 1.00 0.00 C ATOM 88 O LYS A 8 -4.432 1.587 -10.647 1.00 0.00 O ATOM 89 CB LYS A 8 -6.288 1.726 -13.353 1.00 0.00 C ATOM 90 CG LYS A 8 -6.543 3.097 -12.738 1.00 0.00 C ATOM 91 CD LYS A 8 -7.189 4.023 -13.746 1.00 0.00 C ATOM 92 CE LYS A 8 -7.388 5.419 -13.185 1.00 0.00 C ATOM 93 NZ LYS A 8 -8.211 6.254 -14.087 1.00 0.00 N ATOM 0 H LYS A 8 -6.918 1.129 -10.733 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.618 -0.256 -12.937 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.556 1.833 -14.153 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.212 1.372 -13.811 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.187 2.995 -11.865 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.603 3.527 -12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.568 4.076 -14.640 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.152 3.613 -14.050 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.868 5.355 -12.208 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.418 5.893 -13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.568 7.080 -13.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.631 6.574 -14.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.013 5.695 -14.441 1.00 0.00 H new ATOM 107 N VAL A 9 -3.431 0.797 -12.485 1.00 0.00 N ATOM 108 CA VAL A 9 -2.112 1.070 -12.068 1.00 0.00 C ATOM 109 C VAL A 9 -1.848 2.534 -12.237 1.00 0.00 C ATOM 110 O VAL A 9 -1.944 3.083 -13.335 1.00 0.00 O ATOM 111 CB VAL A 9 -1.087 0.268 -12.905 1.00 0.00 C ATOM 112 CG1 VAL A 9 0.337 0.564 -12.460 1.00 0.00 C ATOM 113 CG2 VAL A 9 -1.381 -1.221 -12.831 1.00 0.00 C ATOM 0 H VAL A 9 -3.487 0.385 -13.416 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.006 0.777 -11.023 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.182 0.583 -13.944 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.035 -0.014 -13.066 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.543 1.627 -12.583 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.455 0.291 -11.411 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.649 -1.766 -13.426 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.325 -1.552 -11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.381 -1.414 -13.220 1.00 0.00 H new ATOM 123 N LEU A 10 -1.564 3.151 -11.162 1.00 0.00 N ATOM 124 CA LEU A 10 -1.223 4.552 -11.173 1.00 0.00 C ATOM 125 C LEU A 10 0.277 4.682 -11.400 1.00 0.00 C ATOM 126 O LEU A 10 0.724 5.357 -12.327 1.00 0.00 O ATOM 127 CB LEU A 10 -1.693 5.240 -9.862 1.00 0.00 C ATOM 128 CG LEU A 10 -1.803 6.799 -9.844 1.00 0.00 C ATOM 129 CD1 LEU A 10 -0.459 7.509 -9.978 1.00 0.00 C ATOM 130 CD2 LEU A 10 -2.765 7.276 -10.922 1.00 0.00 C ATOM 0 H LEU A 10 -1.555 2.719 -10.238 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.739 5.064 -11.985 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.672 4.834 -9.606 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.008 4.945 -9.067 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.191 7.065 -8.861 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.614 8.588 -9.958 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.189 7.220 -9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.009 7.227 -10.921 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.830 8.364 -10.896 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.403 6.957 -11.900 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.752 6.849 -10.744 1.00 0.00 H new ATOM 142 N TYR A 11 1.032 3.998 -10.587 1.00 0.00 N ATOM 143 CA TYR A 11 2.480 4.018 -10.690 1.00 0.00 C ATOM 144 C TYR A 11 3.066 2.657 -10.340 1.00 0.00 C ATOM 145 O TYR A 11 2.526 1.952 -9.473 1.00 0.00 O ATOM 146 CB TYR A 11 3.112 5.153 -9.844 1.00 0.00 C ATOM 147 CG TYR A 11 2.901 5.074 -8.337 1.00 0.00 C ATOM 148 CD1 TYR A 11 1.661 5.321 -7.763 1.00 0.00 C ATOM 149 CD2 TYR A 11 3.961 4.795 -7.489 1.00 0.00 C ATOM 150 CE1 TYR A 11 1.482 5.292 -6.396 1.00 0.00 C ATOM 151 CE2 TYR A 11 3.788 4.756 -6.122 1.00 0.00 C ATOM 152 CZ TYR A 11 2.549 5.007 -5.581 1.00 0.00 C ATOM 153 OH TYR A 11 2.380 4.987 -4.211 1.00 0.00 O ATOM 0 H TYR A 11 0.672 3.411 -9.835 1.00 0.00 H new ATOM 0 HA TYR A 11 2.731 4.233 -11.729 1.00 0.00 H new ATOM 0 HB2 TYR A 11 4.184 5.167 -10.038 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.712 6.104 -10.195 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.818 5.541 -8.401 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.939 4.605 -7.906 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.510 5.492 -5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.624 4.529 -5.477 1.00 0.00 H new ATOM 0 HH TYR A 11 3.145 4.539 -3.794 1.00 0.00 H new ATOM 163 N SER A 12 4.109 2.272 -11.060 1.00 0.00 N ATOM 164 CA SER A 12 4.786 1.034 -10.898 1.00 0.00 C ATOM 165 C SER A 12 6.303 1.260 -10.773 1.00 0.00 C ATOM 166 O SER A 12 6.885 1.983 -11.590 1.00 0.00 O ATOM 167 CB SER A 12 4.471 0.223 -12.140 1.00 0.00 C ATOM 168 OG SER A 12 4.669 0.979 -13.329 1.00 0.00 O ATOM 0 H SER A 12 4.508 2.851 -11.798 1.00 0.00 H new ATOM 0 HA SER A 12 4.465 0.520 -9.992 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.103 -0.665 -12.164 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.438 -0.122 -12.096 1.00 0.00 H new ATOM 0 HG SER A 12 5.430 1.585 -13.209 1.00 0.00 H new ATOM 174 N GLN A 13 6.933 0.707 -9.739 1.00 0.00 N ATOM 175 CA GLN A 13 8.390 0.832 -9.596 1.00 0.00 C ATOM 176 C GLN A 13 9.056 -0.338 -8.901 1.00 0.00 C ATOM 177 O GLN A 13 8.453 -1.028 -8.124 1.00 0.00 O ATOM 178 CB GLN A 13 8.842 2.203 -9.072 1.00 0.00 C ATOM 179 CG GLN A 13 8.362 2.536 -7.664 1.00 0.00 C ATOM 180 CD GLN A 13 8.766 3.931 -7.225 1.00 0.00 C ATOM 181 OE1 GLN A 13 8.020 4.910 -7.404 1.00 0.00 O ATOM 182 NE2 GLN A 13 9.955 4.056 -6.698 1.00 0.00 N ATOM 0 H GLN A 13 6.473 0.177 -8.999 1.00 0.00 H new ATOM 0 HA GLN A 13 8.765 0.780 -10.618 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.931 2.242 -9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.485 2.974 -9.755 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.276 2.446 -7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.768 1.807 -6.963 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.543 3.233 -6.564 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.296 4.976 -6.420 1.00 0.00 H new ATOM 191 N ARG A 14 10.321 -0.493 -9.170 1.00 0.00 N ATOM 192 CA ARG A 14 11.106 -1.617 -8.736 1.00 0.00 C ATOM 193 C ARG A 14 11.508 -1.495 -7.269 1.00 0.00 C ATOM 194 O ARG A 14 12.120 -0.521 -6.848 1.00 0.00 O ATOM 195 CB ARG A 14 12.323 -1.722 -9.647 1.00 0.00 C ATOM 196 CG ARG A 14 13.291 -2.832 -9.335 1.00 0.00 C ATOM 197 CD ARG A 14 14.380 -2.858 -10.382 1.00 0.00 C ATOM 198 NE ARG A 14 15.411 -3.838 -10.086 1.00 0.00 N ATOM 199 CZ ARG A 14 16.217 -4.395 -10.987 1.00 0.00 C ATOM 200 NH1 ARG A 14 16.039 -4.174 -12.290 1.00 0.00 N ATOM 201 NH2 ARG A 14 17.182 -5.195 -10.581 1.00 0.00 N ATOM 0 H ARG A 14 10.854 0.183 -9.717 1.00 0.00 H new ATOM 0 HA ARG A 14 10.512 -2.528 -8.807 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.974 -1.849 -10.672 1.00 0.00 H new ATOM 0 HB3 ARG A 14 12.863 -0.776 -9.609 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.725 -2.683 -8.346 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.769 -3.789 -9.313 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.940 -3.080 -11.354 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.833 -1.869 -10.456 1.00 0.00 H new ATOM 0 HE ARG A 14 15.526 -4.121 -9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 14 15.278 -3.572 -12.606 1.00 0.00 H new ATOM 0 HH12 ARG A 14 16.663 -4.607 -12.971 1.00 0.00 H new ATOM 0 HH21 ARG A 14 17.305 -5.382 -9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 14 17.806 -5.628 -11.262 1.00 0.00 H new ATOM 215 N VAL A 15 11.139 -2.498 -6.535 1.00 0.00 N ATOM 216 CA VAL A 15 11.343 -2.617 -5.122 1.00 0.00 C ATOM 217 C VAL A 15 11.811 -4.072 -4.811 1.00 0.00 C ATOM 218 O VAL A 15 11.858 -4.927 -5.712 1.00 0.00 O ATOM 219 CB VAL A 15 9.976 -2.338 -4.382 1.00 0.00 C ATOM 220 CG1 VAL A 15 9.007 -3.522 -4.467 1.00 0.00 C ATOM 221 CG2 VAL A 15 10.175 -1.882 -2.949 1.00 0.00 C ATOM 0 H VAL A 15 10.657 -3.306 -6.929 1.00 0.00 H new ATOM 0 HA VAL A 15 12.094 -1.903 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 15 9.511 -1.511 -4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.084 -3.275 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.784 -3.735 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.463 -4.399 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.205 -1.704 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.707 -2.654 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.757 -0.960 -2.938 1.00 0.00 H new ATOM 231 N LYS A 16 12.163 -4.325 -3.576 1.00 0.00 N ATOM 232 CA LYS A 16 12.495 -5.657 -3.091 1.00 0.00 C ATOM 233 C LYS A 16 11.396 -6.017 -2.110 1.00 0.00 C ATOM 234 O LYS A 16 11.139 -5.207 -1.193 1.00 0.00 O ATOM 235 CB LYS A 16 13.818 -5.614 -2.304 1.00 0.00 C ATOM 236 CG LYS A 16 15.012 -6.378 -2.881 1.00 0.00 C ATOM 237 CD LYS A 16 15.492 -5.820 -4.207 1.00 0.00 C ATOM 238 CE LYS A 16 16.881 -6.364 -4.570 1.00 0.00 C ATOM 239 NZ LYS A 16 16.950 -7.847 -4.582 1.00 0.00 N ATOM 0 H LYS A 16 12.231 -3.603 -2.859 1.00 0.00 H new ATOM 0 HA LYS A 16 12.589 -6.363 -3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.109 -4.569 -2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.626 -5.999 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.833 -6.352 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.737 -7.424 -3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.781 -6.079 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.527 -4.732 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.165 -5.987 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.611 -5.980 -3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.740 -8.153 -5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.098 -8.195 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.060 -8.233 -4.956 1.00 0.00 H new ATOM 253 N LEU A 17 10.754 -7.192 -2.235 1.00 0.00 N ATOM 254 CA LEU A 17 9.688 -7.505 -1.303 1.00 0.00 C ATOM 255 C LEU A 17 10.247 -8.497 -0.339 1.00 0.00 C ATOM 256 O LEU A 17 11.107 -9.262 -0.697 1.00 0.00 O ATOM 257 CB LEU A 17 8.395 -8.035 -2.049 1.00 0.00 C ATOM 258 CG LEU A 17 7.096 -8.351 -1.242 1.00 0.00 C ATOM 259 CD1 LEU A 17 7.178 -9.634 -0.472 1.00 0.00 C ATOM 260 CD2 LEU A 17 6.730 -7.201 -0.320 1.00 0.00 C ATOM 0 H LEU A 17 10.950 -7.902 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 17 9.354 -6.614 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.133 -7.296 -2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.677 -8.946 -2.577 1.00 0.00 H new ATOM 0 HG LEU A 17 6.306 -8.478 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.244 -9.795 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.347 -10.462 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.002 -9.580 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.822 -7.450 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.543 -7.026 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.562 -6.300 -0.911 1.00 0.00 H new ATOM 272 N PHE A 18 9.796 -8.439 0.856 1.00 0.00 N ATOM 273 CA PHE A 18 10.239 -9.305 1.941 1.00 0.00 C ATOM 274 C PHE A 18 9.112 -10.113 2.485 1.00 0.00 C ATOM 275 O PHE A 18 7.994 -9.627 2.596 1.00 0.00 O ATOM 276 CB PHE A 18 10.718 -8.507 3.135 1.00 0.00 C ATOM 277 CG PHE A 18 12.021 -7.799 3.056 1.00 0.00 C ATOM 278 CD1 PHE A 18 12.101 -6.526 2.578 1.00 0.00 C ATOM 279 CD2 PHE A 18 13.156 -8.400 3.526 1.00 0.00 C ATOM 280 CE1 PHE A 18 13.291 -5.868 2.561 1.00 0.00 C ATOM 281 CE2 PHE A 18 14.353 -7.752 3.520 1.00 0.00 C ATOM 282 CZ PHE A 18 14.424 -6.485 3.038 1.00 0.00 C ATOM 0 H PHE A 18 9.081 -7.771 1.142 1.00 0.00 H new ATOM 0 HA PHE A 18 11.028 -9.919 1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.954 -7.764 3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 18 10.764 -9.186 3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.212 -6.035 2.210 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.102 -9.408 3.909 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.346 -4.862 2.173 1.00 0.00 H new ATOM 0 HE2 PHE A 18 15.239 -8.242 3.896 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.369 -5.962 3.029 1.00 0.00 H new ATOM 292 N ARG A 19 9.419 -11.310 2.857 1.00 0.00 N ATOM 293 CA ARG A 19 8.548 -12.128 3.592 1.00 0.00 C ATOM 294 C ARG A 19 9.174 -12.405 4.897 1.00 0.00 C ATOM 295 O ARG A 19 10.394 -12.472 5.050 1.00 0.00 O ATOM 296 CB ARG A 19 8.121 -13.415 2.900 1.00 0.00 C ATOM 297 CG ARG A 19 7.291 -14.397 3.752 1.00 0.00 C ATOM 298 CD ARG A 19 6.932 -15.669 3.012 1.00 0.00 C ATOM 299 NE ARG A 19 5.694 -15.547 2.243 1.00 0.00 N ATOM 300 CZ ARG A 19 5.408 -16.211 1.122 1.00 0.00 C ATOM 301 NH1 ARG A 19 6.322 -16.982 0.540 1.00 0.00 N ATOM 302 NH2 ARG A 19 4.198 -16.105 0.594 1.00 0.00 N ATOM 0 H ARG A 19 10.315 -11.749 2.645 1.00 0.00 H new ATOM 0 HA ARG A 19 7.614 -11.578 3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.541 -13.153 2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.016 -13.932 2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.852 -14.653 4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.376 -13.902 4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.747 -15.935 2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.831 -16.484 3.728 1.00 0.00 H new ATOM 0 HE ARG A 19 4.989 -14.899 2.594 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.252 -17.070 0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.093 -17.486 -0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.495 -15.520 1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.970 -16.609 -0.263 1.00 0.00 H new ATOM 316 N PHE A 20 8.337 -12.533 5.769 1.00 0.00 N ATOM 317 CA PHE A 20 8.594 -12.737 7.125 1.00 0.00 C ATOM 318 C PHE A 20 8.726 -14.211 7.276 1.00 0.00 C ATOM 319 O PHE A 20 7.869 -14.984 6.834 1.00 0.00 O ATOM 320 CB PHE A 20 7.427 -12.239 7.966 1.00 0.00 C ATOM 321 CG PHE A 20 7.711 -12.092 9.438 1.00 0.00 C ATOM 322 CD1 PHE A 20 8.197 -10.895 9.940 1.00 0.00 C ATOM 323 CD2 PHE A 20 7.477 -13.135 10.317 1.00 0.00 C ATOM 324 CE1 PHE A 20 8.445 -10.743 11.289 1.00 0.00 C ATOM 325 CE2 PHE A 20 7.723 -12.986 11.667 1.00 0.00 C ATOM 326 CZ PHE A 20 8.207 -11.788 12.152 1.00 0.00 C ATOM 0 H PHE A 20 7.338 -12.499 5.564 1.00 0.00 H new ATOM 0 HA PHE A 20 9.485 -12.202 7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.106 -11.273 7.576 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.591 -12.927 7.841 1.00 0.00 H new ATOM 0 HD1 PHE A 20 8.384 -10.071 9.267 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.098 -14.075 9.943 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.825 -9.805 11.667 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.537 -13.807 12.344 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.399 -11.671 13.208 1.00 0.00 H new ATOM 336 N ASP A 21 9.735 -14.577 7.887 1.00 0.00 N ATOM 337 CA ASP A 21 10.054 -15.954 8.053 1.00 0.00 C ATOM 338 C ASP A 21 9.372 -16.438 9.218 1.00 0.00 C ATOM 339 O ASP A 21 9.467 -15.899 10.262 1.00 0.00 O ATOM 340 CB ASP A 21 11.540 -16.294 8.209 1.00 0.00 C ATOM 341 CG ASP A 21 11.783 -17.618 7.538 1.00 0.00 C ATOM 342 OD1 ASP A 21 11.255 -18.632 8.017 1.00 0.00 O ATOM 343 OD2 ASP A 21 12.484 -17.659 6.515 1.00 0.00 O ATOM 0 H ASP A 21 10.405 -13.936 8.312 1.00 0.00 H new ATOM 0 HA ASP A 21 9.739 -16.429 7.124 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.159 -15.518 7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.811 -16.345 9.263 1.00 0.00 H new ATOM 348 N ALA A 22 8.615 -17.360 8.993 1.00 0.00 N ATOM 349 CA ALA A 22 7.850 -17.996 10.016 1.00 0.00 C ATOM 350 C ALA A 22 8.776 -18.753 10.926 1.00 0.00 C ATOM 351 O ALA A 22 8.634 -18.723 12.148 1.00 0.00 O ATOM 352 CB ALA A 22 6.823 -18.917 9.408 1.00 0.00 C ATOM 0 H ALA A 22 8.467 -17.750 8.062 1.00 0.00 H new ATOM 0 HA ALA A 22 7.319 -17.242 10.596 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.248 -19.395 10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.152 -18.343 8.769 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.325 -19.681 8.814 1.00 0.00 H new ATOM 358 N GLU A 23 9.771 -19.346 10.330 1.00 0.00 N ATOM 359 CA GLU A 23 10.706 -20.128 11.043 1.00 0.00 C ATOM 360 C GLU A 23 11.776 -19.267 11.655 1.00 0.00 C ATOM 361 O GLU A 23 12.268 -19.557 12.738 1.00 0.00 O ATOM 362 CB GLU A 23 11.298 -21.177 10.135 1.00 0.00 C ATOM 363 CG GLU A 23 10.237 -22.077 9.544 1.00 0.00 C ATOM 364 CD GLU A 23 9.369 -22.730 10.593 1.00 0.00 C ATOM 365 OE1 GLU A 23 9.738 -23.808 11.093 1.00 0.00 O ATOM 366 OE2 GLU A 23 8.289 -22.193 10.928 1.00 0.00 O ATOM 0 H GLU A 23 9.946 -19.292 9.327 1.00 0.00 H new ATOM 0 HA GLU A 23 10.190 -20.631 11.860 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.850 -20.691 9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.014 -21.779 10.695 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.608 -21.495 8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.717 -22.850 8.944 1.00 0.00 H new ATOM 373 N VAL A 24 12.099 -18.158 10.995 1.00 0.00 N ATOM 374 CA VAL A 24 13.220 -17.338 11.488 1.00 0.00 C ATOM 375 C VAL A 24 12.747 -16.093 12.132 1.00 0.00 C ATOM 376 O VAL A 24 13.514 -15.368 12.766 1.00 0.00 O ATOM 377 CB VAL A 24 14.259 -16.952 10.405 1.00 0.00 C ATOM 378 CG1 VAL A 24 15.634 -16.644 10.999 1.00 0.00 C ATOM 379 CG2 VAL A 24 14.339 -17.992 9.374 1.00 0.00 C ATOM 0 H VAL A 24 11.632 -17.812 10.157 1.00 0.00 H new ATOM 0 HA VAL A 24 13.716 -17.985 12.212 1.00 0.00 H new ATOM 0 HB VAL A 24 13.914 -16.030 9.937 1.00 0.00 H new ATOM 0 HG11 VAL A 24 16.325 -16.379 10.199 1.00 0.00 H new ATOM 0 HG12 VAL A 24 15.551 -15.811 11.697 1.00 0.00 H new ATOM 0 HG13 VAL A 24 16.008 -17.522 11.526 1.00 0.00 H new ATOM 0 HG21 VAL A 24 15.074 -17.703 8.622 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.639 -18.935 9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.364 -18.112 8.901 1.00 0.00 H new ATOM 389 N SER A 25 11.473 -15.865 11.996 1.00 0.00 N ATOM 390 CA SER A 25 10.858 -14.612 12.329 1.00 0.00 C ATOM 391 C SER A 25 11.542 -13.538 11.604 1.00 0.00 C ATOM 392 O SER A 25 11.617 -12.391 12.084 1.00 0.00 O ATOM 393 CB SER A 25 10.899 -14.408 13.788 1.00 0.00 C ATOM 394 OG SER A 25 9.867 -15.116 14.470 1.00 0.00 O ATOM 0 H SER A 25 10.817 -16.561 11.642 1.00 0.00 H new ATOM 0 HA SER A 25 9.810 -14.610 12.030 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.868 -14.730 14.169 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.809 -13.344 14.005 1.00 0.00 H new ATOM 0 HG SER A 25 9.938 -14.950 15.433 1.00 0.00 H new ATOM 400 N GLN A 26 11.995 -13.833 10.395 1.00 0.00 N ATOM 401 CA GLN A 26 12.820 -12.830 9.858 1.00 0.00 C ATOM 402 C GLN A 26 12.315 -12.280 8.545 1.00 0.00 C ATOM 403 O GLN A 26 11.784 -12.990 7.740 1.00 0.00 O ATOM 404 CB GLN A 26 14.274 -13.307 9.765 1.00 0.00 C ATOM 405 CG GLN A 26 15.284 -12.273 9.293 1.00 0.00 C ATOM 406 CD GLN A 26 16.659 -12.872 9.118 1.00 0.00 C ATOM 407 OE1 GLN A 26 17.003 -13.353 8.045 1.00 0.00 O ATOM 408 NE2 GLN A 26 17.446 -12.861 10.158 1.00 0.00 N ATOM 0 H GLN A 26 11.818 -14.669 9.838 1.00 0.00 H new ATOM 0 HA GLN A 26 12.786 -11.991 10.553 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.582 -13.665 10.747 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.313 -14.160 9.088 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.951 -11.845 8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.332 -11.456 10.013 1.00 0.00 H new ATOM 0 HE21 GLN A 26 17.126 -12.452 11.036 1.00 0.00 H new ATOM 0 HE22 GLN A 26 18.382 -13.262 10.094 1.00 0.00 H new ATOM 417 N TRP A 27 12.535 -11.031 8.342 1.00 0.00 N ATOM 418 CA TRP A 27 12.201 -10.358 7.171 1.00 0.00 C ATOM 419 C TRP A 27 13.292 -10.592 6.131 1.00 0.00 C ATOM 420 O TRP A 27 14.391 -10.049 6.228 1.00 0.00 O ATOM 421 CB TRP A 27 12.028 -8.875 7.524 1.00 0.00 C ATOM 422 CG TRP A 27 12.912 -8.408 8.661 1.00 0.00 C ATOM 423 CD1 TRP A 27 14.211 -8.000 8.585 1.00 0.00 C ATOM 424 CD2 TRP A 27 12.550 -8.327 10.047 1.00 0.00 C ATOM 425 NE1 TRP A 27 14.671 -7.675 9.832 1.00 0.00 N ATOM 426 CE2 TRP A 27 13.673 -7.864 10.744 1.00 0.00 C ATOM 427 CE3 TRP A 27 11.379 -8.600 10.757 1.00 0.00 C ATOM 428 CZ2 TRP A 27 13.666 -7.670 12.121 1.00 0.00 C ATOM 429 CZ3 TRP A 27 11.373 -8.409 12.122 1.00 0.00 C ATOM 430 CH2 TRP A 27 12.507 -7.947 12.791 1.00 0.00 C ATOM 0 H TRP A 27 12.979 -10.431 9.037 1.00 0.00 H new ATOM 0 HA TRP A 27 11.269 -10.723 6.740 1.00 0.00 H new ATOM 0 HB2 TRP A 27 12.242 -8.274 6.640 1.00 0.00 H new ATOM 0 HB3 TRP A 27 10.986 -8.694 7.789 1.00 0.00 H new ATOM 0 HD1 TRP A 27 14.791 -7.942 7.676 1.00 0.00 H new ATOM 0 HE1 TRP A 27 15.612 -7.344 10.046 1.00 0.00 H new ATOM 0 HE3 TRP A 27 10.495 -8.954 10.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 14.543 -7.314 12.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 10.475 -8.621 12.683 1.00 0.00 H new ATOM 0 HH2 TRP A 27 12.468 -7.805 13.861 1.00 0.00 H new ATOM 441 N LYS A 28 13.015 -11.459 5.197 1.00 0.00 N ATOM 442 CA LYS A 28 13.956 -11.766 4.144 1.00 0.00 C ATOM 443 C LYS A 28 13.320 -11.572 2.810 1.00 0.00 C ATOM 444 O LYS A 28 12.112 -11.826 2.644 1.00 0.00 O ATOM 445 CB LYS A 28 14.650 -13.148 4.346 1.00 0.00 C ATOM 446 CG LYS A 28 13.732 -14.374 4.553 1.00 0.00 C ATOM 447 CD LYS A 28 13.005 -14.790 3.279 1.00 0.00 C ATOM 448 CE LYS A 28 12.123 -16.010 3.497 1.00 0.00 C ATOM 449 NZ LYS A 28 12.892 -17.189 3.949 1.00 0.00 N ATOM 0 H LYS A 28 12.136 -11.973 5.140 1.00 0.00 H new ATOM 0 HA LYS A 28 14.782 -11.056 4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.280 -13.340 3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 28 15.311 -13.071 5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.328 -15.211 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.999 -14.146 5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.394 -13.960 2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.735 -15.006 2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.358 -15.774 4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.606 -16.251 2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.427 -18.056 3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.857 -17.142 3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.934 -17.199 4.988 1.00 0.00 H new ATOM 463 N GLU A 29 14.093 -11.056 1.878 1.00 0.00 N ATOM 464 CA GLU A 29 13.602 -10.720 0.643 1.00 0.00 C ATOM 465 C GLU A 29 13.099 -11.905 -0.110 1.00 0.00 C ATOM 466 O GLU A 29 13.692 -12.981 -0.133 1.00 0.00 O ATOM 467 CB GLU A 29 14.526 -9.808 -0.178 1.00 0.00 C ATOM 468 CG GLU A 29 15.918 -10.336 -0.439 1.00 0.00 C ATOM 469 CD GLU A 29 16.739 -9.362 -1.245 1.00 0.00 C ATOM 470 OE1 GLU A 29 17.324 -8.427 -0.668 1.00 0.00 O ATOM 471 OE2 GLU A 29 16.810 -9.507 -2.489 1.00 0.00 O ATOM 0 H GLU A 29 15.089 -10.872 2.001 1.00 0.00 H new ATOM 0 HA GLU A 29 12.730 -10.095 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.048 -9.610 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.613 -8.852 0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.416 -10.535 0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.854 -11.286 -0.970 1.00 0.00 H new ATOM 478 N ARG A 30 12.002 -11.686 -0.673 1.00 0.00 N ATOM 479 CA ARG A 30 11.258 -12.678 -1.414 1.00 0.00 C ATOM 480 C ARG A 30 11.827 -12.647 -2.780 1.00 0.00 C ATOM 481 O ARG A 30 12.049 -13.667 -3.433 1.00 0.00 O ATOM 482 CB ARG A 30 9.811 -12.235 -1.490 1.00 0.00 C ATOM 483 CG ARG A 30 8.790 -13.348 -1.734 1.00 0.00 C ATOM 484 CD ARG A 30 7.386 -12.760 -1.771 1.00 0.00 C ATOM 485 NE ARG A 30 6.316 -13.711 -2.096 1.00 0.00 N ATOM 486 CZ ARG A 30 5.079 -13.684 -1.550 1.00 0.00 C ATOM 487 NH1 ARG A 30 4.830 -12.920 -0.480 1.00 0.00 N ATOM 488 NH2 ARG A 30 4.105 -14.419 -2.060 1.00 0.00 N ATOM 0 H ARG A 30 11.544 -10.775 -0.650 1.00 0.00 H new ATOM 0 HA ARG A 30 11.313 -13.667 -0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.555 -11.730 -0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.717 -11.499 -2.288 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.007 -13.854 -2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.860 -14.097 -0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.171 -12.314 -0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.367 -11.953 -2.503 1.00 0.00 H new ATOM 0 HE ARG A 30 6.519 -14.441 -2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.575 -12.355 -0.073 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.895 -12.903 -0.072 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.284 -15.012 -2.871 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.175 -14.393 -1.643 1.00 0.00 H new ATOM 502 N GLY A 31 12.032 -11.437 -3.206 1.00 0.00 N ATOM 503 CA GLY A 31 12.664 -11.192 -4.443 1.00 0.00 C ATOM 504 C GLY A 31 12.576 -9.759 -4.865 1.00 0.00 C ATOM 505 O GLY A 31 12.798 -8.838 -4.070 1.00 0.00 O ATOM 0 H GLY A 31 11.760 -10.597 -2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.712 -11.482 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.209 -11.820 -5.209 1.00 0.00 H new ATOM 509 N LEU A 32 12.126 -9.597 -6.054 1.00 0.00 N ATOM 510 CA LEU A 32 12.097 -8.354 -6.764 1.00 0.00 C ATOM 511 C LEU A 32 10.679 -8.053 -7.041 1.00 0.00 C ATOM 512 O LEU A 32 9.890 -8.979 -7.281 1.00 0.00 O ATOM 513 CB LEU A 32 12.818 -8.503 -8.119 1.00 0.00 C ATOM 514 CG LEU A 32 14.290 -8.896 -8.086 1.00 0.00 C ATOM 515 CD1 LEU A 32 14.810 -9.128 -9.497 1.00 0.00 C ATOM 516 CD2 LEU A 32 15.096 -7.818 -7.411 1.00 0.00 C ATOM 0 H LEU A 32 11.743 -10.370 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 32 12.582 -7.573 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.282 -9.249 -8.706 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.733 -7.556 -8.653 1.00 0.00 H new ATOM 0 HG LEU A 32 14.390 -9.823 -7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.863 -9.408 -9.455 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.240 -9.929 -9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.700 -8.214 -10.080 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.147 -8.107 -7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.987 -6.884 -7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.739 -7.682 -6.390 1.00 0.00 H new ATOM 528 N GLY A 33 10.331 -6.825 -7.014 1.00 0.00 N ATOM 529 CA GLY A 33 9.005 -6.501 -7.282 1.00 0.00 C ATOM 530 C GLY A 33 8.837 -5.165 -7.903 1.00 0.00 C ATOM 531 O GLY A 33 9.500 -4.239 -7.562 1.00 0.00 O ATOM 0 H GLY A 33 10.948 -6.039 -6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.581 -7.256 -7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.436 -6.535 -6.353 1.00 0.00 H new ATOM 535 N ASN A 34 8.018 -5.115 -8.870 1.00 0.00 N ATOM 536 CA ASN A 34 7.514 -3.896 -9.393 1.00 0.00 C ATOM 537 C ASN A 34 6.348 -3.642 -8.596 1.00 0.00 C ATOM 538 O ASN A 34 5.337 -4.386 -8.649 1.00 0.00 O ATOM 539 CB ASN A 34 7.117 -4.005 -10.817 1.00 0.00 C ATOM 540 CG ASN A 34 6.481 -2.728 -11.332 1.00 0.00 C ATOM 541 OD1 ASN A 34 7.150 -1.839 -11.845 1.00 0.00 O ATOM 542 ND2 ASN A 34 5.178 -2.631 -11.166 1.00 0.00 N ATOM 0 H ASN A 34 7.661 -5.945 -9.344 1.00 0.00 H new ATOM 0 HA ASN A 34 8.268 -3.110 -9.355 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.994 -4.242 -11.420 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.416 -4.832 -10.935 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.686 -1.790 -11.470 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.661 -3.396 -10.734 1.00 0.00 H new ATOM 549 N LEU A 35 6.486 -2.679 -7.835 1.00 0.00 N ATOM 550 CA LEU A 35 5.519 -2.301 -6.967 1.00 0.00 C ATOM 551 C LEU A 35 4.619 -1.373 -7.665 1.00 0.00 C ATOM 552 O LEU A 35 5.033 -0.329 -8.141 1.00 0.00 O ATOM 553 CB LEU A 35 6.143 -1.720 -5.668 1.00 0.00 C ATOM 554 CG LEU A 35 5.221 -1.136 -4.563 1.00 0.00 C ATOM 555 CD1 LEU A 35 4.674 0.245 -4.913 1.00 0.00 C ATOM 556 CD2 LEU A 35 4.090 -2.076 -4.270 1.00 0.00 C ATOM 0 H LEU A 35 7.326 -2.101 -7.801 1.00 0.00 H new ATOM 0 HA LEU A 35 4.927 -3.155 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.737 -2.511 -5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.835 -0.932 -5.964 1.00 0.00 H new ATOM 0 HG LEU A 35 5.840 -1.019 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.037 0.600 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.502 0.939 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.091 0.183 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.455 -1.650 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.502 -2.231 -5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.490 -3.031 -3.928 1.00 0.00 H new ATOM 568 N LYS A 36 3.417 -1.759 -7.756 1.00 0.00 N ATOM 569 CA LYS A 36 2.473 -0.960 -8.334 1.00 0.00 C ATOM 570 C LYS A 36 1.247 -0.870 -7.480 1.00 0.00 C ATOM 571 O LYS A 36 0.890 -1.804 -6.754 1.00 0.00 O ATOM 572 CB LYS A 36 2.167 -1.403 -9.758 1.00 0.00 C ATOM 573 CG LYS A 36 1.612 -2.809 -9.933 1.00 0.00 C ATOM 574 CD LYS A 36 1.396 -3.089 -11.413 1.00 0.00 C ATOM 575 CE LYS A 36 0.844 -4.479 -11.683 1.00 0.00 C ATOM 576 NZ LYS A 36 0.628 -4.722 -13.132 1.00 0.00 N ATOM 0 H LYS A 36 3.072 -2.658 -7.420 1.00 0.00 H new ATOM 0 HA LYS A 36 2.879 0.049 -8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.453 -0.700 -10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.083 -1.324 -10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.303 -3.539 -9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.671 -2.910 -9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.710 -2.347 -11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.343 -2.972 -11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.534 -5.225 -11.290 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.099 -4.604 -11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.251 -5.681 -13.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.050 -4.026 -13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.532 -4.629 -13.638 1.00 0.00 H new ATOM 590 N ILE A 37 0.612 0.231 -7.572 1.00 0.00 N ATOM 591 CA ILE A 37 -0.579 0.476 -6.861 1.00 0.00 C ATOM 592 C ILE A 37 -1.685 0.506 -7.833 1.00 0.00 C ATOM 593 O ILE A 37 -1.608 1.198 -8.872 1.00 0.00 O ATOM 594 CB ILE A 37 -0.513 1.854 -6.147 1.00 0.00 C ATOM 595 CG1 ILE A 37 0.436 1.788 -4.942 1.00 0.00 C ATOM 596 CG2 ILE A 37 -1.916 2.384 -5.746 1.00 0.00 C ATOM 597 CD1 ILE A 37 -0.150 1.119 -3.696 1.00 0.00 C ATOM 0 H ILE A 37 0.913 1.009 -8.159 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.724 -0.303 -6.112 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.112 2.574 -6.861 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.337 1.249 -5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.742 2.802 -4.683 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.812 3.349 -5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.531 2.498 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.391 1.677 -5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.593 1.120 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.033 1.668 -3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.428 0.092 -3.931 1.00 0.00 H new ATOM 609 N LEU A 38 -2.686 -0.246 -7.538 1.00 0.00 N ATOM 610 CA LEU A 38 -3.857 -0.184 -8.332 1.00 0.00 C ATOM 611 C LEU A 38 -4.899 0.478 -7.495 1.00 0.00 C ATOM 612 O LEU A 38 -5.107 0.132 -6.338 1.00 0.00 O ATOM 613 CB LEU A 38 -4.369 -1.592 -8.793 1.00 0.00 C ATOM 614 CG LEU A 38 -3.475 -2.413 -9.754 1.00 0.00 C ATOM 615 CD1 LEU A 38 -2.178 -2.867 -9.097 1.00 0.00 C ATOM 616 CD2 LEU A 38 -4.238 -3.611 -10.281 1.00 0.00 C ATOM 0 H LEU A 38 -2.717 -0.905 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.638 0.367 -9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.540 -2.194 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.337 -1.454 -9.274 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.205 -1.757 -10.581 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.588 -3.438 -9.813 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.610 -1.995 -8.772 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.407 -3.493 -8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.599 -4.181 -10.956 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.542 -4.244 -9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.123 -3.271 -10.819 1.00 0.00 H new ATOM 628 N LYS A 39 -5.531 1.418 -8.069 1.00 0.00 N ATOM 629 CA LYS A 39 -6.575 2.139 -7.429 1.00 0.00 C ATOM 630 C LYS A 39 -7.848 1.906 -8.162 1.00 0.00 C ATOM 631 O LYS A 39 -7.885 2.027 -9.392 1.00 0.00 O ATOM 632 CB LYS A 39 -6.265 3.649 -7.384 1.00 0.00 C ATOM 633 CG LYS A 39 -5.890 4.269 -8.735 1.00 0.00 C ATOM 634 CD LYS A 39 -5.904 5.798 -8.707 1.00 0.00 C ATOM 635 CE LYS A 39 -7.319 6.397 -8.878 1.00 0.00 C ATOM 636 NZ LYS A 39 -8.283 6.017 -7.816 1.00 0.00 N ATOM 0 H LYS A 39 -5.340 1.724 -9.023 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.665 1.785 -6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.136 4.173 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.447 3.817 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.898 3.924 -9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.585 3.917 -9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.483 6.142 -7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.258 6.175 -9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.238 7.484 -8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.718 6.083 -9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.070 6.697 -7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.652 5.064 -8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.803 6.024 -6.893 1.00 0.00 H new ATOM 650 N ASN A 40 -8.873 1.540 -7.438 1.00 0.00 N ATOM 651 CA ASN A 40 -10.191 1.343 -8.028 1.00 0.00 C ATOM 652 C ASN A 40 -10.682 2.670 -8.564 1.00 0.00 C ATOM 653 O ASN A 40 -10.327 3.728 -8.021 1.00 0.00 O ATOM 654 CB ASN A 40 -11.208 0.804 -6.990 1.00 0.00 C ATOM 655 CG ASN A 40 -10.875 -0.582 -6.431 1.00 0.00 C ATOM 656 OD1 ASN A 40 -9.721 -0.982 -6.345 1.00 0.00 O ATOM 657 ND2 ASN A 40 -11.880 -1.309 -6.024 1.00 0.00 N ATOM 0 H ASN A 40 -8.830 1.369 -6.433 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.106 0.606 -8.827 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.270 1.510 -6.162 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -12.194 0.767 -7.453 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.713 -2.232 -5.624 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -12.833 -0.954 -6.106 1.00 0.00 H new ATOM 664 N GLU A 41 -11.413 2.642 -9.655 1.00 0.00 N ATOM 665 CA GLU A 41 -11.970 3.769 -10.247 1.00 0.00 C ATOM 666 C GLU A 41 -13.095 4.345 -9.386 1.00 0.00 C ATOM 667 O GLU A 41 -13.456 5.511 -9.514 1.00 0.00 O ATOM 668 CB GLU A 41 -12.443 3.334 -11.597 1.00 0.00 C ATOM 669 CG GLU A 41 -11.339 3.235 -12.642 1.00 0.00 C ATOM 670 CD GLU A 41 -10.745 4.586 -13.007 1.00 0.00 C ATOM 671 OE1 GLU A 41 -10.265 5.299 -12.124 1.00 0.00 O ATOM 672 OE2 GLU A 41 -10.693 4.944 -14.212 1.00 0.00 O ATOM 0 H GLU A 41 -11.627 1.778 -10.153 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.245 4.577 -10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.929 2.363 -11.504 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.199 4.036 -11.949 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.548 2.586 -12.267 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.738 2.765 -13.541 1.00 0.00 H new ATOM 679 N VAL A 42 -13.647 3.505 -8.516 1.00 0.00 N ATOM 680 CA VAL A 42 -14.586 3.882 -7.530 1.00 0.00 C ATOM 681 C VAL A 42 -13.802 4.499 -6.369 1.00 0.00 C ATOM 682 O VAL A 42 -14.292 5.327 -5.607 1.00 0.00 O ATOM 683 CB VAL A 42 -15.310 2.592 -7.101 1.00 0.00 C ATOM 684 CG1 VAL A 42 -15.913 2.714 -5.752 1.00 0.00 C ATOM 685 CG2 VAL A 42 -16.367 2.218 -8.119 1.00 0.00 C ATOM 0 H VAL A 42 -13.427 2.509 -8.499 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.318 4.609 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.563 1.800 -7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -16.413 1.781 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.131 2.924 -5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.639 3.527 -5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.870 1.304 -7.802 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.096 3.024 -8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.897 2.056 -9.089 1.00 0.00 H new ATOM 695 N ASN A 43 -12.538 4.100 -6.341 1.00 0.00 N ATOM 696 CA ASN A 43 -11.552 4.418 -5.352 1.00 0.00 C ATOM 697 C ASN A 43 -12.039 3.948 -3.999 1.00 0.00 C ATOM 698 O ASN A 43 -11.871 4.597 -2.983 1.00 0.00 O ATOM 699 CB ASN A 43 -11.230 5.899 -5.439 1.00 0.00 C ATOM 700 CG ASN A 43 -9.993 6.326 -4.654 1.00 0.00 C ATOM 701 OD1 ASN A 43 -8.883 6.236 -5.168 1.00 0.00 O ATOM 702 ND2 ASN A 43 -10.156 6.818 -3.466 1.00 0.00 N ATOM 0 H ASN A 43 -12.159 3.499 -7.073 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.611 3.896 -5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.090 6.166 -6.486 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.088 6.466 -5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.349 7.143 -2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.091 6.881 -3.064 1.00 0.00 H new ATOM 709 N GLY A 44 -12.634 2.760 -4.023 1.00 0.00 N ATOM 710 CA GLY A 44 -13.145 2.149 -2.800 1.00 0.00 C ATOM 711 C GLY A 44 -12.004 1.709 -1.912 1.00 0.00 C ATOM 712 O GLY A 44 -11.897 2.114 -0.749 1.00 0.00 O ATOM 0 H GLY A 44 -12.774 2.205 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.775 2.861 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.771 1.292 -3.049 1.00 0.00 H new ATOM 716 N LYS A 45 -11.145 0.912 -2.476 1.00 0.00 N ATOM 717 CA LYS A 45 -9.943 0.467 -1.847 1.00 0.00 C ATOM 718 C LYS A 45 -8.869 0.577 -2.871 1.00 0.00 C ATOM 719 O LYS A 45 -9.164 0.668 -4.074 1.00 0.00 O ATOM 720 CB LYS A 45 -10.024 -0.995 -1.371 1.00 0.00 C ATOM 721 CG LYS A 45 -10.892 -1.259 -0.145 1.00 0.00 C ATOM 722 CD LYS A 45 -10.780 -2.726 0.264 1.00 0.00 C ATOM 723 CE LYS A 45 -11.529 -3.047 1.552 1.00 0.00 C ATOM 724 NZ LYS A 45 -12.990 -2.872 1.427 1.00 0.00 N ATOM 0 H LYS A 45 -11.269 0.543 -3.419 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.757 1.076 -0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.400 -1.602 -2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.013 -1.341 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.578 -0.618 0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.931 -1.012 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.168 -3.352 -0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.728 -2.983 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.315 -4.075 1.844 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.158 -2.405 2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.446 -3.104 2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.201 -1.885 1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.353 -3.503 0.685 1.00 0.00 H new ATOM 738 N LEU A 46 -7.661 0.629 -2.444 1.00 0.00 N ATOM 739 CA LEU A 46 -6.590 0.660 -3.300 1.00 0.00 C ATOM 740 C LEU A 46 -5.740 -0.520 -2.950 1.00 0.00 C ATOM 741 O LEU A 46 -5.748 -0.979 -1.807 1.00 0.00 O ATOM 742 CB LEU A 46 -5.758 1.891 -3.093 1.00 0.00 C ATOM 743 CG LEU A 46 -6.437 3.285 -2.941 1.00 0.00 C ATOM 744 CD1 LEU A 46 -7.455 3.560 -4.024 1.00 0.00 C ATOM 745 CD2 LEU A 46 -7.008 3.529 -1.539 1.00 0.00 C ATOM 0 H LEU A 46 -7.409 0.651 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.944 0.651 -4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.156 1.727 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.068 1.959 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.636 4.012 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.896 4.545 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.967 3.532 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.238 2.802 -3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.467 4.517 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.759 2.771 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.205 3.472 -0.804 1.00 0.00 H new ATOM 757 N ARG A 47 -5.013 -0.987 -3.876 1.00 0.00 N ATOM 758 CA ARG A 47 -4.154 -2.134 -3.645 1.00 0.00 C ATOM 759 C ARG A 47 -2.758 -1.729 -3.929 1.00 0.00 C ATOM 760 O ARG A 47 -2.498 -0.829 -4.714 1.00 0.00 O ATOM 761 CB ARG A 47 -4.387 -3.300 -4.604 1.00 0.00 C ATOM 762 CG ARG A 47 -5.693 -3.293 -5.413 1.00 0.00 C ATOM 763 CD ARG A 47 -6.920 -3.500 -4.533 1.00 0.00 C ATOM 764 NE ARG A 47 -8.152 -3.576 -5.324 1.00 0.00 N ATOM 765 CZ ARG A 47 -9.240 -4.263 -4.984 1.00 0.00 C ATOM 766 NH1 ARG A 47 -9.308 -4.869 -3.810 1.00 0.00 N ATOM 767 NH2 ARG A 47 -10.251 -4.352 -5.826 1.00 0.00 N ATOM 0 H ARG A 47 -4.974 -0.609 -4.822 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.361 -2.448 -2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.554 -3.331 -5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.352 -4.224 -4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.784 -2.345 -5.943 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.654 -4.078 -6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.802 -4.417 -3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.997 -2.680 -3.818 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.177 -3.062 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.524 -4.811 -3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.144 -5.394 -3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.198 -3.895 -6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.086 -4.878 -5.567 1.00 0.00 H new ATOM 781 N MET A 48 -1.920 -2.429 -3.348 1.00 0.00 N ATOM 782 CA MET A 48 -0.552 -2.366 -3.483 1.00 0.00 C ATOM 783 C MET A 48 -0.119 -3.769 -3.799 1.00 0.00 C ATOM 784 O MET A 48 -0.326 -4.681 -2.998 1.00 0.00 O ATOM 785 CB MET A 48 -0.010 -2.029 -2.106 1.00 0.00 C ATOM 786 CG MET A 48 1.465 -1.783 -2.049 1.00 0.00 C ATOM 787 SD MET A 48 2.108 -1.811 -0.373 1.00 0.00 S ATOM 788 CE MET A 48 3.829 -1.409 -0.672 1.00 0.00 C ATOM 0 H MET A 48 -2.203 -3.150 -2.684 1.00 0.00 H new ATOM 0 HA MET A 48 -0.222 -1.649 -4.235 1.00 0.00 H new ATOM 0 HB2 MET A 48 -0.525 -1.143 -1.736 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.253 -2.846 -1.427 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.978 -2.539 -2.643 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.686 -0.817 -2.502 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.364 -1.370 0.277 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.276 -2.173 -1.309 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.896 -0.440 -1.167 1.00 0.00 H new ATOM 798 N LEU A 49 0.438 -3.961 -4.916 1.00 0.00 N ATOM 799 CA LEU A 49 1.062 -5.232 -5.180 1.00 0.00 C ATOM 800 C LEU A 49 2.407 -5.094 -5.782 1.00 0.00 C ATOM 801 O LEU A 49 2.702 -4.148 -6.519 1.00 0.00 O ATOM 802 CB LEU A 49 0.236 -6.173 -6.032 1.00 0.00 C ATOM 803 CG LEU A 49 -0.122 -5.774 -7.494 1.00 0.00 C ATOM 804 CD1 LEU A 49 1.000 -6.096 -8.471 1.00 0.00 C ATOM 805 CD2 LEU A 49 -1.416 -6.439 -7.933 1.00 0.00 C ATOM 0 H LEU A 49 0.489 -3.279 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 49 1.150 -5.679 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.766 -7.125 -6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.701 -6.353 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.260 -4.693 -7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.703 -5.799 -9.477 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.900 -5.552 -8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.202 -7.167 -8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.646 -6.146 -8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.304 -7.522 -7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.227 -6.127 -7.275 1.00 0.00 H new ATOM 817 N MET A 50 3.202 -6.043 -5.506 1.00 0.00 N ATOM 818 CA MET A 50 4.411 -6.181 -6.011 1.00 0.00 C ATOM 819 C MET A 50 4.400 -7.499 -6.640 1.00 0.00 C ATOM 820 O MET A 50 4.031 -8.505 -6.060 1.00 0.00 O ATOM 821 CB MET A 50 5.486 -6.089 -4.970 1.00 0.00 C ATOM 822 CG MET A 50 5.031 -6.461 -3.578 1.00 0.00 C ATOM 823 SD MET A 50 4.107 -5.118 -2.786 1.00 0.00 S ATOM 824 CE MET A 50 3.502 -5.886 -1.317 1.00 0.00 C ATOM 0 H MET A 50 2.956 -6.789 -4.855 1.00 0.00 H new ATOM 0 HA MET A 50 4.637 -5.380 -6.715 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.311 -6.741 -5.257 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.875 -5.071 -4.954 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.405 -7.352 -3.627 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.898 -6.714 -2.968 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.489 -5.159 -0.505 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.491 -6.256 -1.490 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.152 -6.719 -1.048 1.00 0.00 H new ATOM 834 N ARG A 51 4.716 -7.413 -7.766 1.00 0.00 N ATOM 835 CA ARG A 51 4.808 -8.428 -8.775 1.00 0.00 C ATOM 836 C ARG A 51 6.223 -8.562 -9.115 1.00 0.00 C ATOM 837 O ARG A 51 6.952 -7.593 -9.083 1.00 0.00 O ATOM 838 CB ARG A 51 4.062 -7.868 -9.934 1.00 0.00 C ATOM 839 CG ARG A 51 4.190 -8.436 -11.326 1.00 0.00 C ATOM 840 CD ARG A 51 3.677 -7.352 -12.281 1.00 0.00 C ATOM 841 NE ARG A 51 3.889 -7.625 -13.699 1.00 0.00 N ATOM 842 CZ ARG A 51 4.826 -7.000 -14.461 1.00 0.00 C ATOM 843 NH1 ARG A 51 5.780 -6.261 -13.888 1.00 0.00 N ATOM 844 NH2 ARG A 51 4.820 -7.138 -15.776 1.00 0.00 N ATOM 0 H ARG A 51 4.977 -6.505 -8.149 1.00 0.00 H new ATOM 0 HA ARG A 51 4.414 -9.399 -8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.004 -7.910 -9.675 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.332 -6.814 -10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.226 -8.691 -11.548 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.607 -9.351 -11.428 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.610 -7.214 -12.109 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.165 -6.410 -12.032 1.00 0.00 H new ATOM 0 HE ARG A 51 3.299 -8.327 -14.145 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.809 -6.163 -12.873 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.480 -5.795 -14.465 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.110 -7.716 -16.225 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.526 -6.666 -16.342 1.00 0.00 H new ATOM 858 N ARG A 52 6.585 -9.718 -9.463 1.00 0.00 N ATOM 859 CA ARG A 52 7.882 -10.026 -9.810 1.00 0.00 C ATOM 860 C ARG A 52 8.113 -9.332 -11.096 1.00 0.00 C ATOM 861 O ARG A 52 7.343 -9.477 -12.044 1.00 0.00 O ATOM 862 CB ARG A 52 8.027 -11.501 -9.934 1.00 0.00 C ATOM 863 CG ARG A 52 7.800 -12.330 -8.689 1.00 0.00 C ATOM 864 CD ARG A 52 8.964 -12.240 -7.723 1.00 0.00 C ATOM 865 NE ARG A 52 8.808 -13.204 -6.626 1.00 0.00 N ATOM 866 CZ ARG A 52 9.806 -13.815 -5.982 1.00 0.00 C ATOM 867 NH1 ARG A 52 11.077 -13.581 -6.336 1.00 0.00 N ATOM 868 NH2 ARG A 52 9.532 -14.704 -5.019 1.00 0.00 N ATOM 0 H ARG A 52 5.947 -10.512 -9.514 1.00 0.00 H new ATOM 0 HA ARG A 52 8.613 -9.708 -9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.331 -11.845 -10.699 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.032 -11.711 -10.300 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.890 -11.994 -8.192 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.643 -13.371 -8.971 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.897 -12.433 -8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.029 -11.230 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 52 7.857 -13.426 -6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.284 -12.935 -7.098 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.838 -14.048 -5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.563 -14.913 -4.779 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.292 -15.172 -4.526 1.00 0.00 H new ATOM 882 N GLU A 53 9.122 -8.565 -11.057 1.00 0.00 N ATOM 883 CA GLU A 53 9.543 -7.600 -12.075 1.00 0.00 C ATOM 884 C GLU A 53 9.413 -8.097 -13.461 1.00 0.00 C ATOM 885 O GLU A 53 8.418 -7.798 -14.136 1.00 0.00 O ATOM 886 CB GLU A 53 10.942 -7.096 -11.744 1.00 0.00 C ATOM 887 CG GLU A 53 11.085 -5.589 -11.723 1.00 0.00 C ATOM 888 CD GLU A 53 10.832 -4.971 -13.058 1.00 0.00 C ATOM 889 OE1 GLU A 53 11.775 -4.857 -13.846 1.00 0.00 O ATOM 890 OE2 GLU A 53 9.691 -4.584 -13.342 1.00 0.00 O ATOM 0 H GLU A 53 9.754 -8.569 -10.256 1.00 0.00 H new ATOM 0 HA GLU A 53 8.854 -6.756 -12.043 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.233 -7.488 -10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.642 -7.503 -12.474 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.389 -5.172 -10.995 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.089 -5.327 -11.390 1.00 0.00 H new ATOM 897 N GLN A 54 10.342 -8.821 -13.921 1.00 0.00 N ATOM 898 CA GLN A 54 10.189 -9.282 -15.250 1.00 0.00 C ATOM 899 C GLN A 54 9.316 -10.552 -15.313 1.00 0.00 C ATOM 900 O GLN A 54 8.916 -11.007 -16.380 1.00 0.00 O ATOM 901 CB GLN A 54 11.505 -9.423 -16.006 1.00 0.00 C ATOM 902 CG GLN A 54 12.285 -8.122 -16.186 1.00 0.00 C ATOM 903 CD GLN A 54 11.515 -7.064 -16.960 1.00 0.00 C ATOM 904 OE1 GLN A 54 11.565 -7.019 -18.192 1.00 0.00 O ATOM 905 NE2 GLN A 54 10.877 -6.157 -16.263 1.00 0.00 N ATOM 0 H GLN A 54 11.190 -9.106 -13.430 1.00 0.00 H new ATOM 0 HA GLN A 54 9.651 -8.499 -15.784 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.136 -10.138 -15.478 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.299 -9.845 -16.990 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.549 -7.726 -15.206 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.219 -8.335 -16.706 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.852 -6.220 -15.245 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.405 -5.388 -16.738 1.00 0.00 H new ATOM 914 N VAL A 55 9.004 -11.082 -14.147 1.00 0.00 N ATOM 915 CA VAL A 55 8.299 -12.321 -13.989 1.00 0.00 C ATOM 916 C VAL A 55 6.747 -12.151 -14.093 1.00 0.00 C ATOM 917 O VAL A 55 5.999 -13.136 -14.127 1.00 0.00 O ATOM 918 CB VAL A 55 8.735 -12.855 -12.606 1.00 0.00 C ATOM 919 CG1 VAL A 55 7.832 -13.937 -12.055 1.00 0.00 C ATOM 920 CG2 VAL A 55 10.163 -13.343 -12.668 1.00 0.00 C ATOM 0 H VAL A 55 9.246 -10.641 -13.260 1.00 0.00 H new ATOM 0 HA VAL A 55 8.542 -13.020 -14.790 1.00 0.00 H new ATOM 0 HB VAL A 55 8.654 -12.017 -11.914 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.203 -14.260 -11.083 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.820 -13.546 -11.946 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.821 -14.785 -12.739 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.462 -13.718 -11.689 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.242 -14.144 -13.403 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.817 -12.520 -12.957 1.00 0.00 H new ATOM 930 N LEU A 56 6.307 -10.905 -14.249 1.00 0.00 N ATOM 931 CA LEU A 56 4.958 -10.471 -14.477 1.00 0.00 C ATOM 932 C LEU A 56 3.914 -10.975 -13.440 1.00 0.00 C ATOM 933 O LEU A 56 2.714 -10.725 -13.556 1.00 0.00 O ATOM 934 CB LEU A 56 4.667 -11.073 -15.790 1.00 0.00 C ATOM 935 CG LEU A 56 3.266 -11.043 -16.246 1.00 0.00 C ATOM 936 CD1 LEU A 56 2.797 -9.642 -16.650 1.00 0.00 C ATOM 937 CD2 LEU A 56 2.938 -12.104 -17.266 1.00 0.00 C ATOM 0 H LEU A 56 6.952 -10.116 -14.214 1.00 0.00 H new ATOM 0 HA LEU A 56 4.883 -9.386 -14.408 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.277 -10.566 -16.537 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.993 -12.113 -15.765 1.00 0.00 H new ATOM 0 HG LEU A 56 2.673 -11.308 -15.370 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.758 -9.686 -16.976 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.881 -8.970 -15.796 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.418 -9.272 -17.466 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.890 -12.020 -17.554 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.568 -11.971 -18.145 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.118 -13.090 -16.837 1.00 0.00 H new ATOM 949 N LYS A 57 4.352 -11.515 -12.403 1.00 0.00 N ATOM 950 CA LYS A 57 3.423 -11.981 -11.421 1.00 0.00 C ATOM 951 C LYS A 57 3.563 -11.464 -9.982 1.00 0.00 C ATOM 952 O LYS A 57 4.554 -11.740 -9.306 1.00 0.00 O ATOM 953 CB LYS A 57 3.347 -13.454 -11.468 1.00 0.00 C ATOM 954 CG LYS A 57 2.203 -14.002 -10.598 1.00 0.00 C ATOM 955 CD LYS A 57 2.196 -15.513 -10.474 1.00 0.00 C ATOM 956 CE LYS A 57 1.966 -16.198 -11.800 1.00 0.00 C ATOM 957 NZ LYS A 57 1.832 -17.654 -11.636 1.00 0.00 N ATOM 0 H LYS A 57 5.338 -11.659 -12.184 1.00 0.00 H new ATOM 0 HA LYS A 57 2.480 -11.522 -11.720 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.204 -13.777 -12.499 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.293 -13.876 -11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.276 -13.566 -9.602 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.252 -13.677 -11.019 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.147 -15.845 -10.057 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.418 -15.814 -9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.065 -15.798 -12.266 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.796 -15.981 -12.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.675 -18.095 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.702 -18.037 -11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.025 -17.860 -11.014 1.00 0.00 H new ATOM 971 N VAL A 58 2.649 -10.576 -9.624 1.00 0.00 N ATOM 972 CA VAL A 58 2.219 -10.290 -8.232 1.00 0.00 C ATOM 973 C VAL A 58 2.537 -11.405 -7.202 1.00 0.00 C ATOM 974 O VAL A 58 2.245 -12.597 -7.389 1.00 0.00 O ATOM 975 CB VAL A 58 0.682 -9.992 -8.207 1.00 0.00 C ATOM 976 CG1 VAL A 58 -0.138 -11.150 -8.768 1.00 0.00 C ATOM 977 CG2 VAL A 58 0.227 -9.643 -6.811 1.00 0.00 C ATOM 0 H VAL A 58 2.157 -10.003 -10.310 1.00 0.00 H new ATOM 0 HA VAL A 58 2.804 -9.424 -7.923 1.00 0.00 H new ATOM 0 HB VAL A 58 0.511 -9.132 -8.855 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.198 -10.897 -8.730 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.154 -11.336 -9.802 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.043 -12.046 -8.174 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.844 -9.440 -6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.434 -10.478 -6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.762 -8.759 -6.464 1.00 0.00 H new ATOM 987 N CYS A 59 3.152 -10.988 -6.137 1.00 0.00 N ATOM 988 CA CYS A 59 3.444 -11.827 -5.026 1.00 0.00 C ATOM 989 C CYS A 59 2.491 -11.529 -3.894 1.00 0.00 C ATOM 990 O CYS A 59 1.953 -12.440 -3.297 1.00 0.00 O ATOM 991 CB CYS A 59 4.867 -11.599 -4.565 1.00 0.00 C ATOM 992 SG CYS A 59 6.071 -11.866 -5.854 1.00 0.00 S ATOM 0 H CYS A 59 3.471 -10.027 -6.019 1.00 0.00 H new ATOM 0 HA CYS A 59 3.329 -12.868 -5.330 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.963 -10.579 -4.192 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.083 -12.265 -3.730 1.00 0.00 H new ATOM 0 HG CYS A 59 7.235 -11.449 -5.453 1.00 0.00 H new ATOM 998 N ALA A 60 2.206 -10.246 -3.660 1.00 0.00 N ATOM 999 CA ALA A 60 1.422 -9.849 -2.562 1.00 0.00 C ATOM 1000 C ALA A 60 0.595 -8.760 -3.003 1.00 0.00 C ATOM 1001 O ALA A 60 1.094 -7.775 -3.506 1.00 0.00 O ATOM 1002 CB ALA A 60 2.259 -9.320 -1.437 1.00 0.00 C ATOM 0 H ALA A 60 2.528 -9.476 -4.247 1.00 0.00 H new ATOM 0 HA ALA A 60 0.858 -10.713 -2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.613 -9.025 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.948 -10.095 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.826 -8.455 -1.781 1.00 0.00 H new ATOM 1008 N ASN A 61 -0.630 -8.948 -2.879 1.00 0.00 N ATOM 1009 CA ASN A 61 -1.565 -7.912 -3.115 1.00 0.00 C ATOM 1010 C ASN A 61 -2.114 -7.474 -1.821 1.00 0.00 C ATOM 1011 O ASN A 61 -2.942 -8.154 -1.208 1.00 0.00 O ATOM 1012 CB ASN A 61 -2.695 -8.343 -3.942 1.00 0.00 C ATOM 1013 CG ASN A 61 -3.653 -7.182 -4.293 1.00 0.00 C ATOM 1014 OD1 ASN A 61 -3.530 -6.561 -5.339 1.00 0.00 O ATOM 1015 ND2 ASN A 61 -4.559 -6.828 -3.382 1.00 0.00 N ATOM 0 H ASN A 61 -1.046 -9.838 -2.605 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.037 -7.116 -3.640 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.318 -8.788 -4.862 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.250 -9.120 -3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.166 -6.026 -3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.646 -7.359 -2.516 1.00 0.00 H new ATOM 1022 N HIS A 62 -1.646 -6.427 -1.409 1.00 0.00 N ATOM 1023 CA HIS A 62 -2.118 -5.771 -0.224 1.00 0.00 C ATOM 1024 C HIS A 62 -3.021 -4.620 -0.608 1.00 0.00 C ATOM 1025 O HIS A 62 -2.943 -4.130 -1.687 1.00 0.00 O ATOM 1026 CB HIS A 62 -0.947 -5.201 0.571 1.00 0.00 C ATOM 1027 CG HIS A 62 -0.036 -6.194 1.152 1.00 0.00 C ATOM 1028 ND1 HIS A 62 1.318 -6.126 1.015 1.00 0.00 N ATOM 1029 CD2 HIS A 62 -0.271 -7.224 1.942 1.00 0.00 C ATOM 1030 CE1 HIS A 62 1.870 -7.088 1.719 1.00 0.00 C ATOM 1031 NE2 HIS A 62 0.924 -7.762 2.289 1.00 0.00 N ATOM 0 H HIS A 62 -0.883 -5.935 -1.874 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.657 -6.502 0.379 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.372 -4.544 -0.082 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.344 -4.582 1.376 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.242 -7.576 2.256 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.929 -7.282 1.807 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.056 -8.568 2.900 1.00 0.00 H new ATOM 1039 N TRP A 63 -3.932 -4.301 0.225 1.00 0.00 N ATOM 1040 CA TRP A 63 -4.647 -3.053 0.163 1.00 0.00 C ATOM 1041 C TRP A 63 -3.797 -2.047 0.936 1.00 0.00 C ATOM 1042 O TRP A 63 -3.203 -2.405 1.956 1.00 0.00 O ATOM 1043 CB TRP A 63 -6.000 -3.156 0.886 1.00 0.00 C ATOM 1044 CG TRP A 63 -6.880 -4.297 0.472 1.00 0.00 C ATOM 1045 CD1 TRP A 63 -7.738 -4.342 -0.586 1.00 0.00 C ATOM 1046 CD2 TRP A 63 -7.009 -5.553 1.149 1.00 0.00 C ATOM 1047 NE1 TRP A 63 -8.392 -5.553 -0.603 1.00 0.00 N ATOM 1048 CE2 TRP A 63 -7.956 -6.311 0.447 1.00 0.00 C ATOM 1049 CE3 TRP A 63 -6.408 -6.109 2.283 1.00 0.00 C ATOM 1050 CZ2 TRP A 63 -8.321 -7.596 0.836 1.00 0.00 C ATOM 1051 CZ3 TRP A 63 -6.770 -7.381 2.667 1.00 0.00 C ATOM 1052 CH2 TRP A 63 -7.718 -8.113 1.946 1.00 0.00 C ATOM 0 H TRP A 63 -4.222 -4.904 0.995 1.00 0.00 H new ATOM 0 HA TRP A 63 -4.823 -2.773 -0.875 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.812 -3.238 1.957 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -6.546 -2.226 0.728 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.883 -3.547 -1.303 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -9.090 -5.839 -1.289 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.674 -5.552 2.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -9.054 -8.163 0.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.313 -7.821 3.541 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -7.979 -9.108 2.274 1.00 0.00 H new ATOM 1063 N ILE A 64 -3.725 -0.828 0.488 1.00 0.00 N ATOM 1064 CA ILE A 64 -2.982 0.151 1.170 1.00 0.00 C ATOM 1065 C ILE A 64 -3.986 0.931 2.028 1.00 0.00 C ATOM 1066 O ILE A 64 -4.840 1.672 1.511 1.00 0.00 O ATOM 1067 CB ILE A 64 -2.114 1.021 0.140 1.00 0.00 C ATOM 1068 CG1 ILE A 64 -1.445 2.264 0.774 1.00 0.00 C ATOM 1069 CG2 ILE A 64 -2.917 1.408 -1.091 1.00 0.00 C ATOM 1070 CD1 ILE A 64 -2.391 3.389 1.043 1.00 0.00 C ATOM 0 H ILE A 64 -4.185 -0.500 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.228 -0.266 1.838 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.301 0.364 -0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.969 1.971 1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.655 2.617 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.292 1.996 -1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.253 0.507 -1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.782 1.999 -0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.848 4.223 1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.849 3.711 0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.168 3.055 1.731 1.00 0.00 H new ATOM 1082 N THR A 65 -3.991 0.646 3.303 1.00 0.00 N ATOM 1083 CA THR A 65 -4.922 1.267 4.191 1.00 0.00 C ATOM 1084 C THR A 65 -4.336 1.554 5.551 1.00 0.00 C ATOM 1085 O THR A 65 -3.343 0.954 5.959 1.00 0.00 O ATOM 1086 CB THR A 65 -6.226 0.431 4.301 1.00 0.00 C ATOM 1087 OG1 THR A 65 -7.166 1.005 5.229 1.00 0.00 O ATOM 1088 CG2 THR A 65 -5.944 -1.033 4.636 1.00 0.00 C ATOM 0 H THR A 65 -3.355 -0.017 3.746 1.00 0.00 H new ATOM 0 HA THR A 65 -5.170 2.236 3.757 1.00 0.00 H new ATOM 0 HB THR A 65 -6.689 0.457 3.314 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.078 0.774 4.955 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.885 -1.579 4.703 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.324 -1.472 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.421 -1.094 5.590 1.00 0.00 H new ATOM 1096 N THR A 66 -4.978 2.470 6.232 1.00 0.00 N ATOM 1097 CA THR A 66 -4.686 2.857 7.601 1.00 0.00 C ATOM 1098 C THR A 66 -5.221 1.812 8.576 1.00 0.00 C ATOM 1099 O THR A 66 -5.027 1.890 9.787 1.00 0.00 O ATOM 1100 CB THR A 66 -5.309 4.185 7.906 1.00 0.00 C ATOM 1101 OG1 THR A 66 -5.673 4.809 6.669 1.00 0.00 O ATOM 1102 CG2 THR A 66 -4.305 5.045 8.615 1.00 0.00 C ATOM 0 H THR A 66 -5.757 2.995 5.833 1.00 0.00 H new ATOM 0 HA THR A 66 -3.604 2.930 7.713 1.00 0.00 H new ATOM 0 HB THR A 66 -6.189 4.055 8.536 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.084 5.680 6.850 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.751 6.014 8.841 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.001 4.560 9.543 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.432 5.187 7.977 1.00 0.00 H new ATOM 1110 N THR A 67 -5.880 0.821 8.010 1.00 0.00 N ATOM 1111 CA THR A 67 -6.456 -0.304 8.722 1.00 0.00 C ATOM 1112 C THR A 67 -5.316 -1.312 8.978 1.00 0.00 C ATOM 1113 O THR A 67 -5.476 -2.385 9.579 1.00 0.00 O ATOM 1114 CB THR A 67 -7.520 -0.939 7.782 1.00 0.00 C ATOM 1115 OG1 THR A 67 -8.496 0.048 7.414 1.00 0.00 O ATOM 1116 CG2 THR A 67 -8.202 -2.148 8.392 1.00 0.00 C ATOM 0 H THR A 67 -6.035 0.775 7.003 1.00 0.00 H new ATOM 0 HA THR A 67 -6.915 -0.013 9.667 1.00 0.00 H new ATOM 0 HB THR A 67 -6.994 -1.291 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.132 0.620 6.707 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.933 -2.547 7.689 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.457 -2.913 8.614 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.706 -1.855 9.313 1.00 0.00 H new ATOM 1124 N MET A 68 -4.166 -0.881 8.604 1.00 0.00 N ATOM 1125 CA MET A 68 -3.014 -1.581 8.611 1.00 0.00 C ATOM 1126 C MET A 68 -1.987 -0.594 9.114 1.00 0.00 C ATOM 1127 O MET A 68 -2.261 0.606 9.202 1.00 0.00 O ATOM 1128 CB MET A 68 -2.745 -1.951 7.191 1.00 0.00 C ATOM 1129 CG MET A 68 -1.560 -2.830 6.967 1.00 0.00 C ATOM 1130 SD MET A 68 -1.098 -2.871 5.235 1.00 0.00 S ATOM 1131 CE MET A 68 -0.703 -1.154 4.935 1.00 0.00 C ATOM 0 H MET A 68 -4.038 0.070 8.258 1.00 0.00 H new ATOM 0 HA MET A 68 -3.019 -2.484 9.221 1.00 0.00 H new ATOM 0 HB2 MET A 68 -3.627 -2.452 6.791 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.610 -1.035 6.615 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.720 -2.470 7.561 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.784 -3.840 7.310 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.107 -1.071 4.026 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.625 -0.584 4.818 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.136 -0.759 5.778 1.00 0.00 H new ATOM 1141 N ASN A 69 -0.879 -1.070 9.424 1.00 0.00 N ATOM 1142 CA ASN A 69 0.177 -0.302 10.023 1.00 0.00 C ATOM 1143 C ASN A 69 1.501 -0.699 9.449 1.00 0.00 C ATOM 1144 O ASN A 69 1.734 -1.878 9.166 1.00 0.00 O ATOM 1145 CB ASN A 69 0.146 -0.633 11.499 1.00 0.00 C ATOM 1146 CG ASN A 69 1.297 -0.076 12.317 1.00 0.00 C ATOM 1147 OD1 ASN A 69 2.329 -0.725 12.491 1.00 0.00 O ATOM 1148 ND2 ASN A 69 1.122 1.098 12.844 1.00 0.00 N ATOM 0 H ASN A 69 -0.635 -2.049 9.275 1.00 0.00 H new ATOM 0 HA ASN A 69 0.042 0.764 9.840 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.789 -0.260 11.918 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.135 -1.717 11.610 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.853 1.511 13.424 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.254 1.607 12.678 1.00 0.00 H new ATOM 1155 N LEU A 70 2.329 0.291 9.238 1.00 0.00 N ATOM 1156 CA LEU A 70 3.623 0.137 8.867 1.00 0.00 C ATOM 1157 C LEU A 70 4.524 0.394 10.042 1.00 0.00 C ATOM 1158 O LEU A 70 4.366 1.354 10.806 1.00 0.00 O ATOM 1159 CB LEU A 70 3.931 0.911 7.600 1.00 0.00 C ATOM 1160 CG LEU A 70 3.723 2.422 7.499 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.660 3.128 8.430 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.082 2.782 6.106 1.00 0.00 C ATOM 0 H LEU A 70 2.054 1.268 9.340 1.00 0.00 H new ATOM 0 HA LEU A 70 3.821 -0.896 8.581 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.978 0.722 7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.338 0.459 6.805 1.00 0.00 H new ATOM 0 HG LEU A 70 2.701 2.701 7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.507 4.204 8.353 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.467 2.806 9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.689 2.888 8.162 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.955 3.855 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.121 2.511 5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.434 2.245 5.413 1.00 0.00 H new ATOM 1174 N LYS A 71 5.356 -0.510 10.220 1.00 0.00 N ATOM 1175 CA LYS A 71 6.291 -0.556 11.308 1.00 0.00 C ATOM 1176 C LYS A 71 7.704 -0.777 10.769 1.00 0.00 C ATOM 1177 O LYS A 71 7.908 -1.629 9.911 1.00 0.00 O ATOM 1178 CB LYS A 71 5.910 -1.723 12.236 1.00 0.00 C ATOM 1179 CG LYS A 71 6.830 -1.901 13.431 1.00 0.00 C ATOM 1180 CD LYS A 71 6.448 -3.118 14.254 1.00 0.00 C ATOM 1181 CE LYS A 71 7.350 -3.277 15.468 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.219 -2.145 16.411 1.00 0.00 N ATOM 0 H LYS A 71 5.439 -1.308 9.590 1.00 0.00 H new ATOM 0 HA LYS A 71 6.263 0.385 11.857 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.893 -1.568 12.596 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.905 -2.646 11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.859 -2.002 13.087 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.790 -1.010 14.058 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.412 -3.028 14.579 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.511 -4.012 13.634 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.105 -4.206 15.982 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.387 -3.358 15.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.688 -2.384 17.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.665 -1.299 16.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.212 -1.954 16.587 1.00 0.00 H new ATOM 1196 N PRO A 72 8.685 0.007 11.214 1.00 0.00 N ATOM 1197 CA PRO A 72 10.078 -0.208 10.841 1.00 0.00 C ATOM 1198 C PRO A 72 10.649 -1.455 11.523 1.00 0.00 C ATOM 1199 O PRO A 72 10.387 -1.704 12.721 1.00 0.00 O ATOM 1200 CB PRO A 72 10.801 1.038 11.368 1.00 0.00 C ATOM 1201 CG PRO A 72 9.723 2.009 11.702 1.00 0.00 C ATOM 1202 CD PRO A 72 8.528 1.194 12.066 1.00 0.00 C ATOM 0 HA PRO A 72 10.192 -0.358 9.767 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.402 0.801 12.246 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.479 1.446 10.618 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.022 2.653 12.529 1.00 0.00 H new ATOM 0 HG3 PRO A 72 9.508 2.659 10.854 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.519 0.936 13.125 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.597 1.722 11.859 1.00 0.00 H new ATOM 1210 N LEU A 73 11.402 -2.228 10.777 1.00 0.00 N ATOM 1211 CA LEU A 73 12.051 -3.384 11.252 1.00 0.00 C ATOM 1212 C LEU A 73 13.432 -3.020 11.778 1.00 0.00 C ATOM 1213 O LEU A 73 13.745 -1.841 11.978 1.00 0.00 O ATOM 1214 CB LEU A 73 12.207 -4.376 10.095 1.00 0.00 C ATOM 1215 CG LEU A 73 12.435 -3.813 8.681 1.00 0.00 C ATOM 1216 CD1 LEU A 73 13.332 -4.740 7.884 1.00 0.00 C ATOM 1217 CD2 LEU A 73 11.118 -3.696 7.953 1.00 0.00 C ATOM 0 H LEU A 73 11.573 -2.045 9.788 1.00 0.00 H new ATOM 0 HA LEU A 73 11.462 -3.827 12.055 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.044 -5.034 10.331 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.312 -4.997 10.066 1.00 0.00 H new ATOM 0 HG LEU A 73 12.902 -2.833 8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.485 -4.329 6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.294 -4.837 8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.863 -5.721 7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.289 -3.297 6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.656 -4.680 7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.457 -3.026 8.503 1.00 0.00 H new ATOM 1229 N SER A 74 14.221 -4.013 12.046 1.00 0.00 N ATOM 1230 CA SER A 74 15.592 -3.812 12.371 1.00 0.00 C ATOM 1231 C SER A 74 16.412 -4.114 11.195 1.00 0.00 C ATOM 1232 O SER A 74 16.047 -4.969 10.383 1.00 0.00 O ATOM 1233 CB SER A 74 16.053 -4.709 13.471 1.00 0.00 C ATOM 1234 OG SER A 74 15.553 -4.288 14.736 1.00 0.00 O ATOM 0 H SER A 74 13.927 -4.990 12.045 1.00 0.00 H new ATOM 0 HA SER A 74 15.695 -2.776 12.692 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.725 -5.729 13.271 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.143 -4.724 13.497 1.00 0.00 H new ATOM 0 HG SER A 74 15.872 -4.898 15.433 1.00 0.00 H new ATOM 1240 N GLY A 75 17.489 -3.415 11.058 1.00 0.00 N ATOM 1241 CA GLY A 75 18.365 -3.726 10.003 1.00 0.00 C ATOM 1242 C GLY A 75 18.018 -2.974 8.731 1.00 0.00 C ATOM 1243 O GLY A 75 18.769 -2.974 7.749 1.00 0.00 O ATOM 0 H GLY A 75 17.772 -2.639 11.657 1.00 0.00 H new ATOM 0 HA2 GLY A 75 19.386 -3.486 10.298 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.333 -4.798 9.810 1.00 0.00 H new ATOM 1247 N SER A 76 16.870 -2.356 8.754 1.00 0.00 N ATOM 1248 CA SER A 76 16.418 -1.478 7.765 1.00 0.00 C ATOM 1249 C SER A 76 17.058 -0.157 7.963 1.00 0.00 C ATOM 1250 O SER A 76 17.364 0.243 9.088 1.00 0.00 O ATOM 1251 CB SER A 76 14.934 -1.379 7.952 1.00 0.00 C ATOM 1252 OG SER A 76 14.623 -1.228 9.324 1.00 0.00 O ATOM 0 H SER A 76 16.203 -2.473 9.516 1.00 0.00 H new ATOM 0 HA SER A 76 16.662 -1.821 6.760 1.00 0.00 H new ATOM 0 HB2 SER A 76 14.545 -0.531 7.388 1.00 0.00 H new ATOM 0 HB3 SER A 76 14.450 -2.273 7.558 1.00 0.00 H new ATOM 0 HG SER A 76 13.723 -0.851 9.416 1.00 0.00 H new ATOM 1258 N ASP A 77 17.262 0.489 6.901 1.00 0.00 N ATOM 1259 CA ASP A 77 17.779 1.775 6.873 1.00 0.00 C ATOM 1260 C ASP A 77 16.607 2.644 6.941 1.00 0.00 C ATOM 1261 O ASP A 77 16.458 3.451 7.849 1.00 0.00 O ATOM 1262 CB ASP A 77 18.589 2.038 5.577 1.00 0.00 C ATOM 1263 CG ASP A 77 18.091 1.285 4.326 1.00 0.00 C ATOM 1264 OD1 ASP A 77 16.897 0.910 4.243 1.00 0.00 O ATOM 1265 OD2 ASP A 77 18.902 1.000 3.449 1.00 0.00 O ATOM 0 H ASP A 77 17.061 0.112 5.975 1.00 0.00 H new ATOM 0 HA ASP A 77 18.476 1.949 7.693 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.572 3.108 5.368 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.629 1.765 5.756 1.00 0.00 H new ATOM 1270 N ARG A 78 15.714 2.370 6.028 1.00 0.00 N ATOM 1271 CA ARG A 78 14.478 3.045 5.891 1.00 0.00 C ATOM 1272 C ARG A 78 13.433 2.189 5.215 1.00 0.00 C ATOM 1273 O ARG A 78 12.529 2.671 4.572 1.00 0.00 O ATOM 1274 CB ARG A 78 14.608 4.442 5.290 1.00 0.00 C ATOM 1275 CG ARG A 78 14.999 5.533 6.290 1.00 0.00 C ATOM 1276 CD ARG A 78 14.065 5.511 7.490 1.00 0.00 C ATOM 1277 NE ARG A 78 14.333 6.563 8.453 1.00 0.00 N ATOM 1278 CZ ARG A 78 14.897 6.362 9.651 1.00 0.00 C ATOM 1279 NH1 ARG A 78 15.546 5.219 9.907 1.00 0.00 N ATOM 1280 NH2 ARG A 78 14.877 7.324 10.561 1.00 0.00 N ATOM 0 H ARG A 78 15.847 1.634 5.334 1.00 0.00 H new ATOM 0 HA ARG A 78 14.115 3.220 6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.353 4.413 4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.659 4.714 4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 78 16.027 5.382 6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.958 6.509 5.807 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.036 5.602 7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.148 4.545 7.987 1.00 0.00 H new ATOM 0 HE ARG A 78 14.075 7.517 8.201 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.612 4.498 9.188 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.974 5.069 10.821 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.432 8.217 10.349 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.306 7.172 11.474 1.00 0.00 H new ATOM 1294 N ALA A 79 13.471 0.961 5.552 1.00 0.00 N ATOM 1295 CA ALA A 79 12.569 -0.020 5.031 1.00 0.00 C ATOM 1296 C ALA A 79 11.569 -0.316 6.150 1.00 0.00 C ATOM 1297 O ALA A 79 11.888 -0.157 7.346 1.00 0.00 O ATOM 1298 CB ALA A 79 13.349 -1.284 4.697 1.00 0.00 C ATOM 0 H ALA A 79 14.146 0.585 6.218 1.00 0.00 H new ATOM 0 HA ALA A 79 12.066 0.328 4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.669 -2.037 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 79 14.112 -1.055 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.826 -1.666 5.599 1.00 0.00 H new ATOM 1304 N TRP A 80 10.388 -0.702 5.782 1.00 0.00 N ATOM 1305 CA TRP A 80 9.284 -0.833 6.675 1.00 0.00 C ATOM 1306 C TRP A 80 8.479 -2.044 6.298 1.00 0.00 C ATOM 1307 O TRP A 80 8.615 -2.562 5.178 1.00 0.00 O ATOM 1308 CB TRP A 80 8.429 0.467 6.655 1.00 0.00 C ATOM 1309 CG TRP A 80 8.372 1.131 5.297 1.00 0.00 C ATOM 1310 CD1 TRP A 80 9.317 1.965 4.762 1.00 0.00 C ATOM 1311 CD2 TRP A 80 7.340 1.029 4.315 1.00 0.00 C ATOM 1312 NE1 TRP A 80 8.957 2.353 3.511 1.00 0.00 N ATOM 1313 CE2 TRP A 80 7.743 1.803 3.209 1.00 0.00 C ATOM 1314 CE3 TRP A 80 6.124 0.359 4.253 1.00 0.00 C ATOM 1315 CZ2 TRP A 80 6.974 1.916 2.066 1.00 0.00 C ATOM 1316 CZ3 TRP A 80 5.358 0.478 3.112 1.00 0.00 C ATOM 1317 CH2 TRP A 80 5.788 1.249 2.032 1.00 0.00 C ATOM 0 H TRP A 80 10.160 -0.943 4.817 1.00 0.00 H new ATOM 0 HA TRP A 80 9.641 -0.972 7.696 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.415 0.231 6.978 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.838 1.172 7.379 1.00 0.00 H new ATOM 0 HD1 TRP A 80 10.222 2.272 5.265 1.00 0.00 H new ATOM 0 HE1 TRP A 80 9.504 2.957 2.897 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.785 -0.244 5.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.303 2.513 1.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 4.409 -0.035 3.054 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.167 1.318 1.151 1.00 0.00 H new ATOM 1328 N MET A 81 7.691 -2.508 7.220 1.00 0.00 N ATOM 1329 CA MET A 81 6.901 -3.639 7.057 1.00 0.00 C ATOM 1330 C MET A 81 5.576 -3.310 7.529 1.00 0.00 C ATOM 1331 O MET A 81 5.404 -2.478 8.410 1.00 0.00 O ATOM 1332 CB MET A 81 7.420 -4.860 7.801 1.00 0.00 C ATOM 1333 CG MET A 81 7.652 -4.706 9.297 1.00 0.00 C ATOM 1334 SD MET A 81 8.291 -6.219 10.049 1.00 0.00 S ATOM 1335 CE MET A 81 8.412 -5.725 11.765 1.00 0.00 C ATOM 0 H MET A 81 7.594 -2.073 8.137 1.00 0.00 H new ATOM 0 HA MET A 81 6.909 -3.910 6.001 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.713 -5.676 7.649 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.360 -5.163 7.341 1.00 0.00 H new ATOM 0 HG2 MET A 81 8.354 -3.891 9.472 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.716 -4.429 9.781 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.955 -6.486 12.325 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.943 -4.776 11.834 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.411 -5.612 12.182 1.00 0.00 H new ATOM 1345 N TRP A 82 4.676 -3.903 6.958 1.00 0.00 N ATOM 1346 CA TRP A 82 3.342 -3.667 7.235 1.00 0.00 C ATOM 1347 C TRP A 82 2.691 -4.979 7.330 1.00 0.00 C ATOM 1348 O TRP A 82 3.145 -5.945 6.687 1.00 0.00 O ATOM 1349 CB TRP A 82 2.689 -2.756 6.180 1.00 0.00 C ATOM 1350 CG TRP A 82 2.787 -3.242 4.757 1.00 0.00 C ATOM 1351 CD1 TRP A 82 1.788 -3.771 4.017 1.00 0.00 C ATOM 1352 CD2 TRP A 82 3.948 -3.252 3.908 1.00 0.00 C ATOM 1353 NE1 TRP A 82 2.241 -4.086 2.776 1.00 0.00 N ATOM 1354 CE2 TRP A 82 3.556 -3.793 2.688 1.00 0.00 C ATOM 1355 CE3 TRP A 82 5.269 -2.859 4.065 1.00 0.00 C ATOM 1356 CZ2 TRP A 82 4.427 -3.953 1.632 1.00 0.00 C ATOM 1357 CZ3 TRP A 82 6.135 -3.019 3.014 1.00 0.00 C ATOM 1358 CH2 TRP A 82 5.707 -3.563 1.813 1.00 0.00 C ATOM 0 H TRP A 82 4.833 -4.611 6.240 1.00 0.00 H new ATOM 0 HA TRP A 82 3.231 -3.126 8.175 1.00 0.00 H new ATOM 0 HB2 TRP A 82 1.636 -2.633 6.432 1.00 0.00 H new ATOM 0 HB3 TRP A 82 3.149 -1.770 6.242 1.00 0.00 H new ATOM 0 HD1 TRP A 82 0.776 -3.922 4.362 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.675 -4.483 2.026 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.609 -2.435 4.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 4.098 -4.375 0.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.166 -2.717 3.124 1.00 0.00 H new ATOM 0 HH2 TRP A 82 6.413 -3.677 1.004 1.00 0.00 H new ATOM 1369 N LEU A 83 1.692 -5.089 8.101 1.00 0.00 N ATOM 1370 CA LEU A 83 1.085 -6.360 8.153 1.00 0.00 C ATOM 1371 C LEU A 83 -0.261 -6.313 7.496 1.00 0.00 C ATOM 1372 O LEU A 83 -1.132 -5.556 7.895 1.00 0.00 O ATOM 1373 CB LEU A 83 0.946 -6.875 9.568 1.00 0.00 C ATOM 1374 CG LEU A 83 0.203 -5.951 10.563 1.00 0.00 C ATOM 1375 CD1 LEU A 83 -0.434 -6.779 11.662 1.00 0.00 C ATOM 1376 CD2 LEU A 83 1.179 -4.957 11.201 1.00 0.00 C ATOM 0 H LEU A 83 1.286 -4.357 8.683 1.00 0.00 H new ATOM 0 HA LEU A 83 1.737 -7.050 7.617 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.425 -7.832 9.534 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.944 -7.069 9.961 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.565 -5.406 10.014 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.955 -6.121 12.358 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.145 -7.480 11.224 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.339 -7.332 12.195 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.641 -4.315 11.898 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.956 -5.503 11.737 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.636 -4.345 10.423 1.00 0.00 H new ATOM 1388 N ALA A 84 -0.434 -7.147 6.539 1.00 0.00 N ATOM 1389 CA ALA A 84 -1.652 -7.163 5.769 1.00 0.00 C ATOM 1390 C ALA A 84 -1.974 -8.520 5.291 1.00 0.00 C ATOM 1391 O ALA A 84 -1.126 -9.416 5.338 1.00 0.00 O ATOM 1392 CB ALA A 84 -1.588 -6.237 4.605 1.00 0.00 C ATOM 0 H ALA A 84 0.255 -7.843 6.256 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.440 -6.825 6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.527 -6.281 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.422 -5.219 4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.768 -6.532 3.950 1.00 0.00 H new ATOM 1398 N SER A 85 -3.173 -8.706 4.886 1.00 0.00 N ATOM 1399 CA SER A 85 -3.515 -9.814 4.162 1.00 0.00 C ATOM 1400 C SER A 85 -3.320 -9.601 2.729 1.00 0.00 C ATOM 1401 O SER A 85 -3.926 -8.736 2.088 1.00 0.00 O ATOM 1402 CB SER A 85 -4.877 -10.206 4.466 1.00 0.00 C ATOM 1403 OG SER A 85 -5.548 -9.193 5.215 1.00 0.00 O ATOM 0 H SER A 85 -3.944 -8.063 5.066 1.00 0.00 H new ATOM 0 HA SER A 85 -2.853 -10.631 4.449 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.419 -10.397 3.540 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.873 -11.138 5.031 1.00 0.00 H new ATOM 0 HG SER A 85 -6.465 -9.481 5.406 1.00 0.00 H new ATOM 1409 N ASP A 86 -2.408 -10.318 2.261 1.00 0.00 N ATOM 1410 CA ASP A 86 -2.185 -10.425 0.927 1.00 0.00 C ATOM 1411 C ASP A 86 -2.616 -11.793 0.498 1.00 0.00 C ATOM 1412 O ASP A 86 -2.581 -12.695 1.306 1.00 0.00 O ATOM 1413 CB ASP A 86 -0.755 -10.094 0.533 1.00 0.00 C ATOM 1414 CG ASP A 86 0.329 -10.798 1.339 1.00 0.00 C ATOM 1415 OD1 ASP A 86 0.653 -10.304 2.429 1.00 0.00 O ATOM 1416 OD2 ASP A 86 0.900 -11.779 0.864 1.00 0.00 O ATOM 0 H ASP A 86 -1.771 -10.869 2.836 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.776 -9.678 0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.620 -10.343 -0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.611 -9.018 0.627 1.00 0.00 H new ATOM 1421 N PHE A 87 -3.115 -11.924 -0.744 1.00 0.00 N ATOM 1422 CA PHE A 87 -3.567 -13.221 -1.316 1.00 0.00 C ATOM 1423 C PHE A 87 -4.209 -12.928 -2.662 1.00 0.00 C ATOM 1424 O PHE A 87 -5.417 -12.826 -2.771 1.00 0.00 O ATOM 1425 CB PHE A 87 -4.547 -13.851 -0.348 1.00 0.00 C ATOM 1426 CG PHE A 87 -5.065 -15.268 -0.551 1.00 0.00 C ATOM 1427 CD1 PHE A 87 -6.059 -15.540 -1.475 1.00 0.00 C ATOM 1428 CD2 PHE A 87 -4.617 -16.303 0.257 1.00 0.00 C ATOM 1429 CE1 PHE A 87 -6.585 -16.808 -1.598 1.00 0.00 C ATOM 1430 CE2 PHE A 87 -5.132 -17.578 0.128 1.00 0.00 C ATOM 1431 CZ PHE A 87 -6.118 -17.830 -0.801 1.00 0.00 C ATOM 0 H PHE A 87 -3.219 -11.138 -1.386 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.743 -13.919 -1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.082 -13.822 0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.419 -13.198 -0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.428 -14.747 -2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.855 -16.109 0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.364 -17.001 -2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.762 -18.376 0.754 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.523 -18.826 -0.904 1.00 0.00 H new ATOM 1441 N SER A 88 -3.365 -12.659 -3.673 1.00 0.00 N ATOM 1442 CA SER A 88 -3.842 -12.309 -4.994 1.00 0.00 C ATOM 1443 C SER A 88 -4.493 -13.519 -5.583 1.00 0.00 C ATOM 1444 O SER A 88 -5.490 -13.434 -6.311 1.00 0.00 O ATOM 1445 CB SER A 88 -2.696 -11.791 -5.885 1.00 0.00 C ATOM 1446 OG SER A 88 -3.183 -11.189 -7.073 1.00 0.00 O ATOM 0 H SER A 88 -2.349 -12.681 -3.586 1.00 0.00 H new ATOM 0 HA SER A 88 -4.566 -11.497 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.102 -11.067 -5.328 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.033 -12.617 -6.142 1.00 0.00 H new ATOM 0 HG SER A 88 -2.894 -10.253 -7.108 1.00 0.00 H new ATOM 1452 N ASP A 89 -3.908 -14.675 -5.254 1.00 0.00 N ATOM 1453 CA ASP A 89 -4.416 -15.890 -5.658 1.00 0.00 C ATOM 1454 C ASP A 89 -3.933 -16.916 -4.670 1.00 0.00 C ATOM 1455 O ASP A 89 -3.997 -18.112 -4.897 1.00 0.00 O ATOM 1456 CB ASP A 89 -3.998 -16.214 -7.092 1.00 0.00 C ATOM 1457 CG ASP A 89 -4.621 -17.487 -7.636 1.00 0.00 C ATOM 1458 OD1 ASP A 89 -5.823 -17.487 -7.983 1.00 0.00 O ATOM 1459 OD2 ASP A 89 -3.914 -18.514 -7.724 1.00 0.00 O ATOM 0 H ASP A 89 -3.060 -14.742 -4.691 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.506 -15.876 -5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.273 -15.380 -7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.913 -16.305 -7.133 1.00 0.00 H new ATOM 1464 N GLY A 90 -3.436 -16.448 -3.514 1.00 0.00 N ATOM 1465 CA GLY A 90 -3.061 -17.417 -2.590 1.00 0.00 C ATOM 1466 C GLY A 90 -1.619 -17.709 -2.493 1.00 0.00 C ATOM 1467 O GLY A 90 -1.203 -18.583 -1.750 1.00 0.00 O ATOM 0 H GLY A 90 -3.307 -15.472 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.413 -17.105 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.581 -18.343 -2.836 1.00 0.00 H new ATOM 1471 N ASP A 91 -0.845 -16.978 -3.200 1.00 0.00 N ATOM 1472 CA ASP A 91 0.634 -17.130 -3.081 1.00 0.00 C ATOM 1473 C ASP A 91 1.081 -16.264 -1.945 1.00 0.00 C ATOM 1474 O ASP A 91 2.118 -16.408 -1.315 1.00 0.00 O ATOM 1475 CB ASP A 91 1.342 -16.780 -4.382 1.00 0.00 C ATOM 1476 CG ASP A 91 2.875 -16.819 -4.280 1.00 0.00 C ATOM 1477 OD1 ASP A 91 3.447 -17.926 -4.147 1.00 0.00 O ATOM 1478 OD2 ASP A 91 3.533 -15.745 -4.331 1.00 0.00 O ATOM 0 H ASP A 91 -1.158 -16.271 -3.866 1.00 0.00 H new ATOM 0 HA ASP A 91 0.894 -18.169 -2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 91 1.020 -17.474 -5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.033 -15.783 -4.697 1.00 0.00 H new ATOM 1483 N ALA A 92 0.227 -15.414 -1.745 1.00 0.00 N ATOM 1484 CA ALA A 92 0.176 -14.418 -0.773 1.00 0.00 C ATOM 1485 C ALA A 92 -0.738 -14.920 0.373 1.00 0.00 C ATOM 1486 O ALA A 92 -1.683 -15.670 0.118 1.00 0.00 O ATOM 1487 CB ALA A 92 -0.294 -13.167 -1.432 1.00 0.00 C ATOM 0 H ALA A 92 -0.598 -15.373 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 92 1.145 -14.195 -0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.345 -12.365 -0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.402 -12.889 -2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.283 -13.331 -1.860 1.00 0.00 H new ATOM 1493 N LYS A 93 -0.390 -14.587 1.577 1.00 0.00 N ATOM 1494 CA LYS A 93 -0.980 -15.083 2.823 1.00 0.00 C ATOM 1495 C LYS A 93 -1.064 -13.856 3.695 1.00 0.00 C ATOM 1496 O LYS A 93 -0.543 -12.838 3.300 1.00 0.00 O ATOM 1497 CB LYS A 93 -0.034 -16.094 3.475 1.00 0.00 C ATOM 1498 CG LYS A 93 -0.613 -16.886 4.647 1.00 0.00 C ATOM 1499 CD LYS A 93 0.372 -17.922 5.210 1.00 0.00 C ATOM 1500 CE LYS A 93 0.452 -19.217 4.373 1.00 0.00 C ATOM 1501 NZ LYS A 93 0.910 -19.012 2.979 1.00 0.00 N ATOM 0 H LYS A 93 0.361 -13.919 1.748 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.942 -15.573 2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.296 -16.799 2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.852 -15.563 3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.899 -16.195 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.521 -17.394 4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.364 -17.474 5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.077 -18.175 6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.129 -19.914 4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.532 -19.686 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.412 -19.861 2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.088 -18.836 2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.552 -18.194 2.941 1.00 0.00 H new ATOM 1515 N LEU A 94 -1.662 -13.899 4.849 1.00 0.00 N ATOM 1516 CA LEU A 94 -1.563 -12.690 5.643 1.00 0.00 C ATOM 1517 C LEU A 94 -0.299 -12.766 6.409 1.00 0.00 C ATOM 1518 O LEU A 94 -0.075 -13.677 7.218 1.00 0.00 O ATOM 1519 CB LEU A 94 -2.761 -12.367 6.552 1.00 0.00 C ATOM 1520 CG LEU A 94 -3.040 -13.260 7.785 1.00 0.00 C ATOM 1521 CD1 LEU A 94 -4.105 -12.623 8.657 1.00 0.00 C ATOM 1522 CD2 LEU A 94 -3.495 -14.646 7.377 1.00 0.00 C ATOM 0 H LEU A 94 -2.184 -14.681 5.245 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.572 -11.852 4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.634 -11.345 6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.656 -12.378 5.930 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.108 -13.353 8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.295 -13.258 9.522 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.762 -11.645 8.994 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.024 -12.508 8.083 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.681 -15.245 8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.412 -14.571 6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.720 -15.121 6.776 1.00 0.00 H new ATOM 1534 N GLU A 95 0.511 -11.821 6.146 1.00 0.00 N ATOM 1535 CA GLU A 95 1.799 -11.767 6.561 1.00 0.00 C ATOM 1536 C GLU A 95 2.184 -10.407 6.809 1.00 0.00 C ATOM 1537 O GLU A 95 1.514 -9.435 6.428 1.00 0.00 O ATOM 1538 CB GLU A 95 2.737 -12.490 5.603 1.00 0.00 C ATOM 1539 CG GLU A 95 2.602 -14.002 5.649 1.00 0.00 C ATOM 1540 CD GLU A 95 3.619 -14.723 4.837 1.00 0.00 C ATOM 1541 OE1 GLU A 95 3.474 -14.817 3.608 1.00 0.00 O ATOM 1542 OE2 GLU A 95 4.566 -15.268 5.423 1.00 0.00 O ATOM 0 H GLU A 95 0.241 -11.012 5.587 1.00 0.00 H new ATOM 0 HA GLU A 95 1.882 -12.304 7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.542 -12.146 4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.766 -12.218 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.678 -14.332 6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.608 -14.279 5.298 1.00 0.00 H new ATOM 1549 N GLN A 96 3.218 -10.337 7.444 1.00 0.00 N ATOM 1550 CA GLN A 96 3.814 -9.168 7.704 1.00 0.00 C ATOM 1551 C GLN A 96 4.887 -9.172 6.671 1.00 0.00 C ATOM 1552 O GLN A 96 5.774 -10.017 6.690 1.00 0.00 O ATOM 1553 CB GLN A 96 4.446 -9.147 9.094 1.00 0.00 C ATOM 1554 CG GLN A 96 3.515 -9.495 10.242 1.00 0.00 C ATOM 1555 CD GLN A 96 4.246 -9.520 11.562 1.00 0.00 C ATOM 1556 OE1 GLN A 96 4.751 -10.559 11.986 1.00 0.00 O ATOM 1557 NE2 GLN A 96 4.324 -8.390 12.210 1.00 0.00 N ATOM 0 H GLN A 96 3.706 -11.149 7.823 1.00 0.00 H new ATOM 0 HA GLN A 96 3.134 -8.316 7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 96 5.283 -9.845 9.104 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.858 -8.153 9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.705 -8.767 10.288 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.059 -10.468 10.059 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.892 -7.550 11.825 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.817 -8.346 13.102 1.00 0.00 H new ATOM 1566 N LEU A 97 4.776 -8.329 5.783 1.00 0.00 N ATOM 1567 CA LEU A 97 5.667 -8.242 4.731 1.00 0.00 C ATOM 1568 C LEU A 97 6.374 -6.920 4.748 1.00 0.00 C ATOM 1569 O LEU A 97 5.818 -5.919 5.190 1.00 0.00 O ATOM 1570 CB LEU A 97 4.904 -8.436 3.449 1.00 0.00 C ATOM 1571 CG LEU A 97 4.287 -9.836 3.189 1.00 0.00 C ATOM 1572 CD1 LEU A 97 3.759 -9.938 1.787 1.00 0.00 C ATOM 1573 CD2 LEU A 97 5.271 -10.955 3.440 1.00 0.00 C ATOM 0 H LEU A 97 4.028 -7.637 5.753 1.00 0.00 H new ATOM 0 HA LEU A 97 6.430 -9.015 4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.098 -7.703 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.573 -8.204 2.621 1.00 0.00 H new ATOM 0 HG LEU A 97 3.465 -9.946 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.332 -10.929 1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.989 -9.182 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.572 -9.777 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.790 -11.913 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.131 -10.839 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.603 -10.921 4.478 1.00 0.00 H new ATOM 1585 N ALA A 98 7.581 -6.923 4.276 1.00 0.00 N ATOM 1586 CA ALA A 98 8.403 -5.734 4.279 1.00 0.00 C ATOM 1587 C ALA A 98 8.874 -5.413 2.884 1.00 0.00 C ATOM 1588 O ALA A 98 8.769 -6.245 1.993 1.00 0.00 O ATOM 1589 CB ALA A 98 9.593 -5.894 5.226 1.00 0.00 C ATOM 0 H ALA A 98 8.033 -7.745 3.876 1.00 0.00 H new ATOM 0 HA ALA A 98 7.796 -4.903 4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.196 -4.986 5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.231 -6.071 6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.202 -6.739 4.905 1.00 0.00 H new ATOM 1595 N ALA A 99 9.324 -4.213 2.679 1.00 0.00 N ATOM 1596 CA ALA A 99 9.919 -3.828 1.414 1.00 0.00 C ATOM 1597 C ALA A 99 11.010 -2.834 1.664 1.00 0.00 C ATOM 1598 O ALA A 99 10.943 -2.065 2.626 1.00 0.00 O ATOM 1599 CB ALA A 99 8.893 -3.246 0.454 1.00 0.00 C ATOM 0 H ALA A 99 9.294 -3.468 3.375 1.00 0.00 H new ATOM 0 HA ALA A 99 10.327 -4.724 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.383 -2.972 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.120 -3.988 0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 99 8.439 -2.361 0.899 1.00 0.00 H new ATOM 1605 N LYS A 100 12.017 -2.849 0.826 1.00 0.00 N ATOM 1606 CA LYS A 100 13.066 -1.947 0.908 1.00 0.00 C ATOM 1607 C LYS A 100 13.263 -1.377 -0.404 1.00 0.00 C ATOM 1608 O LYS A 100 13.139 -2.045 -1.453 1.00 0.00 O ATOM 1609 CB LYS A 100 14.371 -2.555 1.388 1.00 0.00 C ATOM 1610 CG LYS A 100 14.928 -3.682 0.523 1.00 0.00 C ATOM 1611 CD LYS A 100 16.225 -4.250 1.080 1.00 0.00 C ATOM 1612 CE LYS A 100 16.622 -5.512 0.323 1.00 0.00 C ATOM 1613 NZ LYS A 100 17.758 -6.232 0.933 1.00 0.00 N ATOM 0 H LYS A 100 12.103 -3.517 0.060 1.00 0.00 H new ATOM 0 HA LYS A 100 12.793 -1.198 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 100 15.119 -1.764 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.224 -2.935 2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.188 -4.479 0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 100 15.101 -3.310 -0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 100 17.018 -3.507 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 100 16.105 -4.477 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.763 -6.181 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 100 16.879 -5.245 -0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.847 -7.173 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 18.634 -5.694 0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 17.594 -6.337 1.955 1.00 0.00 H new ATOM 1627 N PHE A 101 13.512 -0.197 -0.357 1.00 0.00 N ATOM 1628 CA PHE A 101 13.785 0.561 -1.509 1.00 0.00 C ATOM 1629 C PHE A 101 15.280 0.742 -1.692 1.00 0.00 C ATOM 1630 O PHE A 101 16.068 0.443 -0.783 1.00 0.00 O ATOM 1631 CB PHE A 101 13.019 1.870 -1.499 1.00 0.00 C ATOM 1632 CG PHE A 101 11.523 1.688 -1.636 1.00 0.00 C ATOM 1633 CD1 PHE A 101 10.742 1.336 -0.541 1.00 0.00 C ATOM 1634 CD2 PHE A 101 10.904 1.858 -2.864 1.00 0.00 C ATOM 1635 CE1 PHE A 101 9.382 1.154 -0.673 1.00 0.00 C ATOM 1636 CE2 PHE A 101 9.542 1.679 -3.000 1.00 0.00 C ATOM 1637 CZ PHE A 101 8.781 1.326 -1.903 1.00 0.00 C ATOM 0 H PHE A 101 13.544 0.339 0.510 1.00 0.00 H new ATOM 0 HA PHE A 101 13.431 0.013 -2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 101 13.230 2.400 -0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.378 2.499 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.207 1.204 0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 101 11.494 2.134 -3.725 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.788 0.877 0.185 1.00 0.00 H new ATOM 0 HE2 PHE A 101 9.072 1.815 -3.963 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.715 1.185 -2.008 1.00 0.00 H new ATOM 1647 N LYS A 102 15.646 1.189 -2.873 1.00 0.00 N ATOM 1648 CA LYS A 102 17.038 1.370 -3.319 1.00 0.00 C ATOM 1649 C LYS A 102 17.883 2.167 -2.344 1.00 0.00 C ATOM 1650 O LYS A 102 19.032 1.825 -2.095 1.00 0.00 O ATOM 1651 CB LYS A 102 17.024 2.056 -4.672 1.00 0.00 C ATOM 1652 CG LYS A 102 16.244 1.265 -5.699 1.00 0.00 C ATOM 1653 CD LYS A 102 15.323 2.141 -6.539 1.00 0.00 C ATOM 1654 CE LYS A 102 16.034 2.858 -7.701 1.00 0.00 C ATOM 1655 NZ LYS A 102 17.063 3.847 -7.295 1.00 0.00 N ATOM 0 H LYS A 102 14.967 1.451 -3.588 1.00 0.00 H new ATOM 0 HA LYS A 102 17.496 0.383 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.587 3.049 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.048 2.192 -5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 102 16.940 0.743 -6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.652 0.503 -5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.520 1.525 -6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.859 2.887 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.504 2.108 -8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.284 3.365 -8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.376 4.384 -8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.659 4.500 -6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.876 3.351 -6.878 1.00 0.00 H new ATOM 1669 N THR A 103 17.324 3.220 -1.821 1.00 0.00 N ATOM 1670 CA THR A 103 17.995 4.078 -0.879 1.00 0.00 C ATOM 1671 C THR A 103 16.962 4.513 0.127 1.00 0.00 C ATOM 1672 O THR A 103 15.764 4.379 -0.160 1.00 0.00 O ATOM 1673 CB THR A 103 18.531 5.345 -1.593 1.00 0.00 C ATOM 1674 OG1 THR A 103 17.444 6.028 -2.233 1.00 0.00 O ATOM 1675 CG2 THR A 103 19.573 5.004 -2.634 1.00 0.00 C ATOM 0 H THR A 103 16.372 3.514 -2.039 1.00 0.00 H new ATOM 0 HA THR A 103 18.829 3.550 -0.417 1.00 0.00 H new ATOM 0 HB THR A 103 18.995 5.980 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.784 6.822 -2.697 1.00 0.00 H new ATOM 0 HG21 THR A 103 19.923 5.919 -3.111 1.00 0.00 H new ATOM 0 HG22 THR A 103 20.413 4.499 -2.156 1.00 0.00 H new ATOM 0 HG23 THR A 103 19.135 4.347 -3.386 1.00 0.00 H new ATOM 1683 N PRO A 104 17.357 5.032 1.324 1.00 0.00 N ATOM 1684 CA PRO A 104 16.415 5.609 2.293 1.00 0.00 C ATOM 1685 C PRO A 104 15.642 6.763 1.741 1.00 0.00 C ATOM 1686 O PRO A 104 14.807 7.239 2.341 1.00 0.00 O ATOM 1687 CB PRO A 104 17.279 6.112 3.415 1.00 0.00 C ATOM 1688 CG PRO A 104 18.479 5.253 3.348 1.00 0.00 C ATOM 1689 CD PRO A 104 18.723 5.015 1.876 1.00 0.00 C ATOM 0 HA PRO A 104 15.681 4.859 2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 104 17.532 7.164 3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.776 6.023 4.378 1.00 0.00 H new ATOM 0 HG2 PRO A 104 19.336 5.739 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.319 4.313 3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 104 19.349 5.792 1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.223 4.063 1.695 1.00 0.00 H new ATOM 1697 N GLU A 105 16.004 7.222 0.639 1.00 0.00 N ATOM 1698 CA GLU A 105 15.275 8.252 -0.030 1.00 0.00 C ATOM 1699 C GLU A 105 13.985 7.655 -0.520 1.00 0.00 C ATOM 1700 O GLU A 105 12.913 8.102 -0.192 1.00 0.00 O ATOM 1701 CB GLU A 105 16.077 8.852 -1.161 1.00 0.00 C ATOM 1702 CG GLU A 105 15.397 10.011 -1.848 1.00 0.00 C ATOM 1703 CD GLU A 105 16.275 10.642 -2.875 1.00 0.00 C ATOM 1704 OE1 GLU A 105 17.088 11.516 -2.515 1.00 0.00 O ATOM 1705 OE2 GLU A 105 16.181 10.286 -4.059 1.00 0.00 O ATOM 0 H GLU A 105 16.834 6.904 0.138 1.00 0.00 H new ATOM 0 HA GLU A 105 15.067 9.071 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.039 9.187 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.283 8.076 -1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.478 9.664 -2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.113 10.757 -1.106 1.00 0.00 H new ATOM 1712 N LEU A 106 14.129 6.550 -1.221 1.00 0.00 N ATOM 1713 CA LEU A 106 13.013 5.850 -1.792 1.00 0.00 C ATOM 1714 C LEU A 106 12.286 5.149 -0.704 1.00 0.00 C ATOM 1715 O LEU A 106 11.083 5.097 -0.674 1.00 0.00 O ATOM 1716 CB LEU A 106 13.453 4.881 -2.916 1.00 0.00 C ATOM 1717 CG LEU A 106 13.801 5.493 -4.289 1.00 0.00 C ATOM 1718 CD1 LEU A 106 12.624 6.267 -4.859 1.00 0.00 C ATOM 1719 CD2 LEU A 106 15.036 6.365 -4.224 1.00 0.00 C ATOM 0 H LEU A 106 15.032 6.115 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 106 12.342 6.566 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.325 4.330 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.655 4.154 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 106 14.022 4.663 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.899 6.687 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.773 5.597 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.354 7.074 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.244 6.775 -5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.869 7.181 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.886 5.768 -3.892 1.00 0.00 H new ATOM 1731 N ALA A 107 13.052 4.665 0.219 1.00 0.00 N ATOM 1732 CA ALA A 107 12.563 3.953 1.347 1.00 0.00 C ATOM 1733 C ALA A 107 11.883 4.911 2.334 1.00 0.00 C ATOM 1734 O ALA A 107 10.734 4.662 2.736 1.00 0.00 O ATOM 1735 CB ALA A 107 13.740 3.228 1.967 1.00 0.00 C ATOM 0 H ALA A 107 14.068 4.759 0.205 1.00 0.00 H new ATOM 0 HA ALA A 107 11.803 3.228 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.404 2.668 2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 107 14.169 2.541 1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.495 3.953 2.271 1.00 0.00 H new ATOM 1741 N GLU A 108 12.537 6.041 2.668 1.00 0.00 N ATOM 1742 CA GLU A 108 11.933 6.965 3.680 1.00 0.00 C ATOM 1743 C GLU A 108 10.724 7.677 3.110 1.00 0.00 C ATOM 1744 O GLU A 108 9.649 7.675 3.713 1.00 0.00 O ATOM 1745 CB GLU A 108 12.944 7.994 4.243 1.00 0.00 C ATOM 1746 CG GLU A 108 12.379 8.973 5.290 1.00 0.00 C ATOM 1747 CD GLU A 108 12.066 8.351 6.631 1.00 0.00 C ATOM 1748 OE1 GLU A 108 11.061 7.629 6.767 1.00 0.00 O ATOM 1749 OE2 GLU A 108 12.837 8.581 7.587 1.00 0.00 O ATOM 0 H GLU A 108 13.435 6.336 2.284 1.00 0.00 H new ATOM 0 HA GLU A 108 11.620 6.338 4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.777 7.452 4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.349 8.572 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.097 9.780 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.470 9.424 4.893 1.00 0.00 H new ATOM 1756 N GLU A 109 10.889 8.237 1.936 1.00 0.00 N ATOM 1757 CA GLU A 109 9.822 8.992 1.296 1.00 0.00 C ATOM 1758 C GLU A 109 8.610 8.145 1.042 1.00 0.00 C ATOM 1759 O GLU A 109 7.493 8.595 1.257 1.00 0.00 O ATOM 1760 CB GLU A 109 10.267 9.652 -0.006 1.00 0.00 C ATOM 1761 CG GLU A 109 11.247 10.789 0.170 1.00 0.00 C ATOM 1762 CD GLU A 109 10.714 11.880 1.063 1.00 0.00 C ATOM 1763 OE1 GLU A 109 9.555 12.311 0.875 1.00 0.00 O ATOM 1764 OE2 GLU A 109 11.470 12.370 1.944 1.00 0.00 O ATOM 0 H GLU A 109 11.753 8.188 1.397 1.00 0.00 H new ATOM 0 HA GLU A 109 9.559 9.780 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 109 10.720 8.895 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 109 9.386 10.026 -0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.175 10.402 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.489 11.209 -0.806 1.00 0.00 H new ATOM 1771 N PHE A 110 8.818 6.906 0.625 1.00 0.00 N ATOM 1772 CA PHE A 110 7.702 6.050 0.312 1.00 0.00 C ATOM 1773 C PHE A 110 6.951 5.689 1.567 1.00 0.00 C ATOM 1774 O PHE A 110 5.764 5.573 1.529 1.00 0.00 O ATOM 1775 CB PHE A 110 8.139 4.797 -0.390 1.00 0.00 C ATOM 1776 CG PHE A 110 7.124 4.273 -1.373 1.00 0.00 C ATOM 1777 CD1 PHE A 110 6.015 3.550 -0.953 1.00 0.00 C ATOM 1778 CD2 PHE A 110 7.284 4.513 -2.725 1.00 0.00 C ATOM 1779 CE1 PHE A 110 5.095 3.079 -1.862 1.00 0.00 C ATOM 1780 CE2 PHE A 110 6.368 4.044 -3.637 1.00 0.00 C ATOM 1781 CZ PHE A 110 5.271 3.324 -3.205 1.00 0.00 C ATOM 0 H PHE A 110 9.737 6.482 0.499 1.00 0.00 H new ATOM 0 HA PHE A 110 7.047 6.604 -0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 110 9.074 4.991 -0.915 1.00 0.00 H new ATOM 0 HB3 PHE A 110 8.345 4.027 0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 110 5.873 3.355 0.100 1.00 0.00 H new ATOM 0 HD2 PHE A 110 8.139 5.076 -3.069 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.237 2.518 -1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 110 6.506 4.238 -4.690 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.552 2.954 -3.921 1.00 0.00 H new ATOM 1791 N LYS A 111 7.664 5.541 2.680 1.00 0.00 N ATOM 1792 CA LYS A 111 7.035 5.222 3.988 1.00 0.00 C ATOM 1793 C LYS A 111 6.017 6.281 4.326 1.00 0.00 C ATOM 1794 O LYS A 111 4.848 6.014 4.610 1.00 0.00 O ATOM 1795 CB LYS A 111 8.079 5.300 5.083 1.00 0.00 C ATOM 1796 CG LYS A 111 7.571 4.884 6.463 1.00 0.00 C ATOM 1797 CD LYS A 111 8.484 5.396 7.560 1.00 0.00 C ATOM 1798 CE LYS A 111 9.866 4.782 7.503 1.00 0.00 C ATOM 1799 NZ LYS A 111 10.787 5.474 8.419 1.00 0.00 N ATOM 0 H LYS A 111 8.679 5.634 2.717 1.00 0.00 H new ATOM 0 HA LYS A 111 6.588 4.230 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 111 8.922 4.665 4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 111 8.455 6.322 5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 111 6.563 5.271 6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 111 7.507 3.797 6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 111 8.569 6.480 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 111 8.035 5.182 8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 111 9.810 3.726 7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.251 4.836 6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 11.647 4.903 8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 11.042 6.400 8.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 10.324 5.609 9.341 1.00 0.00 H new ATOM 1813 N GLN A 112 6.503 7.474 4.280 1.00 0.00 N ATOM 1814 CA GLN A 112 5.750 8.676 4.586 1.00 0.00 C ATOM 1815 C GLN A 112 4.581 8.825 3.637 1.00 0.00 C ATOM 1816 O GLN A 112 3.444 9.084 4.051 1.00 0.00 O ATOM 1817 CB GLN A 112 6.642 9.835 4.360 1.00 0.00 C ATOM 1818 CG GLN A 112 7.940 9.810 5.175 1.00 0.00 C ATOM 1819 CD GLN A 112 7.711 9.700 6.678 1.00 0.00 C ATOM 1820 OE1 GLN A 112 6.701 10.176 7.214 1.00 0.00 O ATOM 1821 NE2 GLN A 112 8.625 9.064 7.368 1.00 0.00 N ATOM 0 H GLN A 112 7.471 7.663 4.020 1.00 0.00 H new ATOM 0 HA GLN A 112 5.388 8.621 5.613 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.894 9.881 3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 112 6.097 10.748 4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 112 8.550 8.969 4.846 1.00 0.00 H new ATOM 0 HG3 GLN A 112 8.508 10.717 4.967 1.00 0.00 H new ATOM 0 HE21 GLN A 112 9.446 8.683 6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.516 8.950 8.376 1.00 0.00 H new ATOM 1830 N LYS A 113 4.886 8.666 2.361 1.00 0.00 N ATOM 1831 CA LYS A 113 3.941 8.773 1.260 1.00 0.00 C ATOM 1832 C LYS A 113 2.882 7.743 1.455 1.00 0.00 C ATOM 1833 O LYS A 113 1.703 7.969 1.199 1.00 0.00 O ATOM 1834 CB LYS A 113 4.724 8.464 -0.018 1.00 0.00 C ATOM 1835 CG LYS A 113 4.078 8.835 -1.356 1.00 0.00 C ATOM 1836 CD LYS A 113 3.058 7.812 -1.829 1.00 0.00 C ATOM 1837 CE LYS A 113 2.436 8.221 -3.158 1.00 0.00 C ATOM 1838 NZ LYS A 113 3.449 8.372 -4.220 1.00 0.00 N ATOM 0 H LYS A 113 5.833 8.451 2.050 1.00 0.00 H new ATOM 0 HA LYS A 113 3.481 9.760 1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.684 8.977 0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 113 4.934 7.395 -0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 113 3.593 9.806 -1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 113 4.856 8.940 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 113 3.538 6.839 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 113 2.276 7.702 -1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 113 1.703 7.473 -3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 113 1.899 9.161 -3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 2.976 8.432 -5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 3.998 9.239 -4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 4.087 7.551 -4.210 1.00 0.00 H new ATOM 1852 N PHE A 114 3.319 6.643 1.951 1.00 0.00 N ATOM 1853 CA PHE A 114 2.456 5.473 2.154 1.00 0.00 C ATOM 1854 C PHE A 114 1.454 5.739 3.275 1.00 0.00 C ATOM 1855 O PHE A 114 0.255 5.575 3.078 1.00 0.00 O ATOM 1856 CB PHE A 114 3.290 4.233 2.451 1.00 0.00 C ATOM 1857 CG PHE A 114 2.549 2.944 2.358 1.00 0.00 C ATOM 1858 CD1 PHE A 114 2.453 2.289 1.153 1.00 0.00 C ATOM 1859 CD2 PHE A 114 1.971 2.380 3.469 1.00 0.00 C ATOM 1860 CE1 PHE A 114 1.794 1.093 1.062 1.00 0.00 C ATOM 1861 CE2 PHE A 114 1.307 1.186 3.388 1.00 0.00 C ATOM 1862 CZ PHE A 114 1.218 0.536 2.183 1.00 0.00 C ATOM 0 H PHE A 114 4.287 6.500 2.238 1.00 0.00 H new ATOM 0 HA PHE A 114 1.899 5.290 1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.131 4.203 1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 114 3.707 4.325 3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 114 2.901 2.722 0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 114 2.042 2.886 4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 114 1.725 0.586 0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 114 0.855 0.757 4.270 1.00 0.00 H new ATOM 0 HZ PHE A 114 0.699 -0.408 2.113 1.00 0.00 H new ATOM 1872 N GLU A 115 1.956 6.165 4.434 1.00 0.00 N ATOM 1873 CA GLU A 115 1.114 6.589 5.575 1.00 0.00 C ATOM 1874 C GLU A 115 0.146 7.683 5.113 1.00 0.00 C ATOM 1875 O GLU A 115 -1.033 7.662 5.448 1.00 0.00 O ATOM 1876 CB GLU A 115 2.014 7.214 6.636 1.00 0.00 C ATOM 1877 CG GLU A 115 2.767 6.252 7.506 1.00 0.00 C ATOM 1878 CD GLU A 115 1.869 5.645 8.534 1.00 0.00 C ATOM 1879 OE1 GLU A 115 1.467 6.370 9.479 1.00 0.00 O ATOM 1880 OE2 GLU A 115 1.545 4.463 8.445 1.00 0.00 O ATOM 0 H GLU A 115 2.957 6.229 4.618 1.00 0.00 H new ATOM 0 HA GLU A 115 0.571 5.727 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.734 7.863 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 115 1.402 7.849 7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 115 3.205 5.466 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 115 3.591 6.769 7.997 1.00 0.00 H new ATOM 1887 N GLU A 116 0.669 8.629 4.326 1.00 0.00 N ATOM 1888 CA GLU A 116 -0.100 9.738 3.812 1.00 0.00 C ATOM 1889 C GLU A 116 -1.285 9.214 3.022 1.00 0.00 C ATOM 1890 O GLU A 116 -2.426 9.567 3.292 1.00 0.00 O ATOM 1891 CB GLU A 116 0.752 10.615 2.902 1.00 0.00 C ATOM 1892 CG GLU A 116 0.117 11.949 2.556 1.00 0.00 C ATOM 1893 CD GLU A 116 0.225 12.940 3.693 1.00 0.00 C ATOM 1894 OE1 GLU A 116 -0.456 12.780 4.727 1.00 0.00 O ATOM 1895 OE2 GLU A 116 1.006 13.907 3.563 1.00 0.00 O ATOM 0 H GLU A 116 1.646 8.635 4.033 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.444 10.335 4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 116 1.712 10.796 3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.957 10.072 1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 116 0.599 12.361 1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -0.933 11.797 2.306 1.00 0.00 H new ATOM 1902 N CYS A 117 -0.997 8.325 2.086 1.00 0.00 N ATOM 1903 CA CYS A 117 -1.940 7.716 1.273 1.00 0.00 C ATOM 1904 C CYS A 117 -2.960 6.949 2.062 1.00 0.00 C ATOM 1905 O CYS A 117 -4.108 6.884 1.668 1.00 0.00 O ATOM 1906 CB CYS A 117 -1.241 6.849 0.322 1.00 0.00 C ATOM 1907 SG CYS A 117 -0.319 7.730 -0.939 1.00 0.00 S ATOM 0 H CYS A 117 -0.043 8.019 1.893 1.00 0.00 H new ATOM 0 HA CYS A 117 -2.494 8.486 0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -0.556 6.204 0.872 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -1.970 6.200 -0.164 1.00 0.00 H new ATOM 0 HG CYS A 117 0.708 8.314 -0.397 1.00 0.00 H new ATOM 1913 N GLN A 118 -2.545 6.375 3.172 1.00 0.00 N ATOM 1914 CA GLN A 118 -3.453 5.604 3.980 1.00 0.00 C ATOM 1915 C GLN A 118 -4.648 6.479 4.381 1.00 0.00 C ATOM 1916 O GLN A 118 -5.802 6.109 4.126 1.00 0.00 O ATOM 1917 CB GLN A 118 -2.716 5.129 5.234 1.00 0.00 C ATOM 1918 CG GLN A 118 -1.677 4.066 5.021 1.00 0.00 C ATOM 1919 CD GLN A 118 -0.955 3.749 6.302 1.00 0.00 C ATOM 1920 OE1 GLN A 118 -1.525 3.825 7.379 1.00 0.00 O ATOM 1921 NE2 GLN A 118 0.293 3.432 6.206 1.00 0.00 N ATOM 0 H GLN A 118 -1.591 6.430 3.529 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.814 4.743 3.418 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.236 5.991 5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.452 4.753 5.944 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.150 3.164 4.634 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.961 4.398 4.269 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.736 3.378 5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.835 3.235 7.047 1.00 0.00 H new ATOM 1930 N ARG A 119 -4.369 7.654 4.932 1.00 0.00 N ATOM 1931 CA ARG A 119 -5.434 8.600 5.259 1.00 0.00 C ATOM 1932 C ARG A 119 -6.047 9.297 4.058 1.00 0.00 C ATOM 1933 O ARG A 119 -7.246 9.456 3.924 1.00 0.00 O ATOM 1934 CB ARG A 119 -5.069 9.606 6.370 1.00 0.00 C ATOM 1935 CG ARG A 119 -4.897 9.016 7.775 1.00 0.00 C ATOM 1936 CD ARG A 119 -3.574 8.287 7.967 1.00 0.00 C ATOM 1937 NE ARG A 119 -2.423 9.186 7.887 1.00 0.00 N ATOM 1938 CZ ARG A 119 -1.178 8.902 8.317 1.00 0.00 C ATOM 1939 NH1 ARG A 119 -0.898 7.708 8.854 1.00 0.00 N ATOM 1940 NH2 ARG A 119 -0.221 9.819 8.196 1.00 0.00 N ATOM 0 H ARG A 119 -3.428 7.974 5.160 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.213 7.956 5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.142 10.106 6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -5.844 10.371 6.410 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.971 9.818 8.509 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -5.716 8.325 7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.575 7.788 8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -3.478 7.510 7.209 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.576 10.105 7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.630 7.003 8.941 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.048 7.503 9.176 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.434 10.726 7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.725 9.615 8.518 1.00 0.00 H new ATOM 1954 N LEU A 120 -5.204 9.745 3.267 1.00 0.00 N ATOM 1955 CA LEU A 120 -5.519 10.603 2.157 1.00 0.00 C ATOM 1956 C LEU A 120 -6.149 9.975 0.933 1.00 0.00 C ATOM 1957 O LEU A 120 -7.234 10.401 0.540 1.00 0.00 O ATOM 1958 CB LEU A 120 -4.362 11.561 1.800 1.00 0.00 C ATOM 1959 CG LEU A 120 -4.223 12.840 2.646 1.00 0.00 C ATOM 1960 CD1 LEU A 120 -3.878 12.543 4.091 1.00 0.00 C ATOM 1961 CD2 LEU A 120 -3.205 13.778 2.029 1.00 0.00 C ATOM 0 H LEU A 120 -4.209 9.536 3.345 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.346 11.189 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.428 11.004 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.477 11.856 0.757 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.196 13.331 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -3.791 13.478 4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.663 11.931 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.931 12.006 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.120 14.676 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.236 13.281 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.525 14.052 1.024 1.00 0.00 H new ATOM 1973 N LEU A 121 -5.589 8.848 0.463 1.00 0.00 N ATOM 1974 CA LEU A 121 -5.853 8.236 -0.907 1.00 0.00 C ATOM 1975 C LEU A 121 -7.323 7.884 -1.057 1.00 0.00 C ATOM 1976 O LEU A 121 -7.864 7.727 -2.141 1.00 0.00 O ATOM 1977 CB LEU A 121 -4.933 7.013 -1.162 1.00 0.00 C ATOM 1978 CG LEU A 121 -4.339 6.826 -2.580 1.00 0.00 C ATOM 1979 CD1 LEU A 121 -3.434 5.605 -2.627 1.00 0.00 C ATOM 1980 CD2 LEU A 121 -5.406 6.731 -3.654 1.00 0.00 C ATOM 0 H LEU A 121 -4.923 8.305 1.013 1.00 0.00 H new ATOM 0 HA LEU A 121 -5.612 8.977 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.103 7.069 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.499 6.114 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.750 7.718 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.027 5.492 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.617 5.730 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.008 4.716 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.932 6.601 -4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.054 5.879 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.000 7.645 -3.659 1.00 0.00 H new ATOM 1992 N LEU A 122 -7.924 7.829 0.045 1.00 0.00 N ATOM 1993 CA LEU A 122 -9.276 7.471 0.246 1.00 0.00 C ATOM 1994 C LEU A 122 -10.258 8.398 -0.452 1.00 0.00 C ATOM 1995 O LEU A 122 -11.258 7.943 -1.002 1.00 0.00 O ATOM 1996 CB LEU A 122 -9.465 7.772 1.679 1.00 0.00 C ATOM 1997 CG LEU A 122 -8.925 6.733 2.685 1.00 0.00 C ATOM 1998 CD1 LEU A 122 -9.223 7.155 4.108 1.00 0.00 C ATOM 1999 CD2 LEU A 122 -9.533 5.360 2.421 1.00 0.00 C ATOM 0 H LEU A 122 -7.451 8.051 0.921 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.450 6.454 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.989 8.729 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -10.532 7.899 1.862 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.845 6.674 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -8.833 6.407 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -8.750 8.116 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -10.301 7.246 4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -9.139 4.643 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.617 5.417 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.279 5.037 1.411 1.00 0.00 H new