USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 755 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 51 MET CE :methyl 140:sc= -4.12 (180deg=-10.3!) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 39 MET CE :methyl -167:sc= -0.554 (180deg=-1.41!) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= -0.0472 USER MOD Set 2.3: A 46 GLN :FLIP amide:sc= -3.78! C(o=-6.1!,f=-4.4!) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -6.63! C(o=-7.6!,f=-11!) USER MOD Set 3.2: A 21 GLN :FLIP amide:sc= -0.928 F(o=-8.9!,f=-7.6) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.233 F(o=-2.6!,f=-0.23) USER MOD Single : A 4 GLN : amide:sc= -0.845 X(o=-0.84,f=-0.61) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -142:sc= -0.277 (180deg=-1.97!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 28 LYS NZ :NH3+ 146:sc= -1.52 (180deg=-3.26!) USER MOD Single : A 31 MET CE :methyl 160:sc= -8.66! (180deg=-10.5!) USER MOD Single : A 32 HIS : no HD1:sc= -0.0265 X(o=-0.026,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.1) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.575 F(o=-6.3!,f=-0.58) USER MOD Single : A 47 GLN :FLIP amide:sc= -2.25! C(o=-4.5!,f=-2.2!) USER MOD Single : A 49 GLN : amide:sc= -0.252 K(o=-0.25,f=-2.4!) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -3.77! C(o=-4.4!,f=-3.8!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -123:sc= -2.11! USER MOD Single : A 66 GLN : amide:sc= -2.17! C(o=-2.2!,f=-4.6!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -154:sc= -0.0698 (180deg=-0.39) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -111:sc= -6.87! (180deg=-9.91!) USER MOD Single : A 82 LYS NZ :NH3+ -135:sc= -1.33 (180deg=-3.79!) USER MOD Single : A 83 ASN : amide:sc= -3.34! C(o=-3.3!,f=-12!) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 6.716 -0.853 0.486 1.00 0.00 N ATOM 38 CA ASN A 3 7.511 -1.544 -0.523 1.00 0.00 C ATOM 39 C ASN A 3 8.999 -1.452 -0.200 1.00 0.00 C ATOM 40 O ASN A 3 9.441 -0.523 0.475 1.00 0.00 O ATOM 41 CB ASN A 3 7.241 -0.952 -1.908 1.00 0.00 C ATOM 42 CG ASN A 3 8.085 -1.600 -2.989 1.00 0.00 C ATOM 43 OD1 ASN A 3 8.212 -2.920 -2.927 1.00 0.00 O flip ATOM 44 ND2 ASN A 3 8.615 -0.921 -3.868 1.00 0.00 N flip ATOM 0 HA ASN A 3 7.221 -2.595 -0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.186 -1.074 -2.153 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.442 0.119 -1.888 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.490 0.091 -3.876 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.180 -1.370 -4.589 1.00 0.00 H new ATOM 51 N GLN A 4 9.766 -2.422 -0.688 1.00 0.00 N ATOM 52 CA GLN A 4 11.204 -2.451 -0.451 1.00 0.00 C ATOM 53 C GLN A 4 11.914 -1.387 -1.283 1.00 0.00 C ATOM 54 O GLN A 4 11.278 -0.632 -2.018 1.00 0.00 O ATOM 55 CB GLN A 4 11.769 -3.834 -0.780 1.00 0.00 C ATOM 56 CG GLN A 4 11.009 -4.974 -0.121 1.00 0.00 C ATOM 57 CD GLN A 4 9.944 -5.563 -1.025 1.00 0.00 C ATOM 58 OE1 GLN A 4 10.251 -6.229 -2.014 1.00 0.00 O ATOM 59 NE2 GLN A 4 8.682 -5.321 -0.689 1.00 0.00 N ATOM 0 H GLN A 4 9.415 -3.198 -1.250 1.00 0.00 H new ATOM 0 HA GLN A 4 11.378 -2.237 0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 4 11.755 -3.976 -1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.812 -3.875 -0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 4 11.711 -5.757 0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.543 -4.613 0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.473 -4.764 0.139 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.922 -5.692 -1.259 1.00 0.00 H new ATOM 68 N VAL A 5 13.237 -1.334 -1.161 1.00 0.00 N ATOM 69 CA VAL A 5 14.034 -0.363 -1.902 1.00 0.00 C ATOM 70 C VAL A 5 15.418 -0.918 -2.221 1.00 0.00 C ATOM 71 O VAL A 5 15.774 -2.013 -1.786 1.00 0.00 O ATOM 72 CB VAL A 5 14.188 0.953 -1.117 1.00 0.00 C ATOM 73 CG1 VAL A 5 15.591 1.069 -0.540 1.00 0.00 C ATOM 74 CG2 VAL A 5 13.869 2.144 -2.007 1.00 0.00 C ATOM 0 H VAL A 5 13.779 -1.952 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 5 13.503 -0.161 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 5 13.479 0.947 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.681 2.005 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.778 0.232 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 5 16.320 1.053 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.983 3.066 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.552 2.157 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.843 2.065 -2.367 1.00 0.00 H new ATOM 84 N ARG A 6 16.194 -0.154 -2.983 1.00 0.00 N ATOM 85 CA ARG A 6 17.539 -0.569 -3.361 1.00 0.00 C ATOM 86 C ARG A 6 18.410 0.640 -3.687 1.00 0.00 C ATOM 87 O ARG A 6 18.475 1.101 -4.827 1.00 0.00 O ATOM 88 CB ARG A 6 17.486 -1.512 -4.564 1.00 0.00 C ATOM 89 CG ARG A 6 18.519 -2.626 -4.512 1.00 0.00 C ATOM 90 CD ARG A 6 18.207 -3.723 -5.518 1.00 0.00 C ATOM 91 NE ARG A 6 19.403 -4.175 -6.223 1.00 0.00 N ATOM 92 CZ ARG A 6 19.371 -4.929 -7.316 1.00 0.00 C ATOM 93 NH1 ARG A 6 18.209 -5.311 -7.828 1.00 0.00 N ATOM 94 NH2 ARG A 6 20.503 -5.300 -7.901 1.00 0.00 N ATOM 0 H ARG A 6 15.914 0.755 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 6 17.980 -1.095 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 6 16.491 -1.953 -4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 6 17.634 -0.933 -5.475 1.00 0.00 H new ATOM 0 HG2 ARG A 6 19.508 -2.216 -4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 6 18.549 -3.049 -3.508 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.749 -4.567 -5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 6 17.478 -3.356 -6.240 1.00 0.00 H new ATOM 0 HE ARG A 6 20.313 -3.896 -5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.337 -5.026 -7.382 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.187 -5.890 -8.667 1.00 0.00 H new ATOM 0 HH21 ARG A 6 21.399 -5.006 -7.511 1.00 0.00 H new ATOM 0 HH22 ARG A 6 20.477 -5.879 -8.740 1.00 0.00 H new ATOM 108 N PRO A 7 19.096 1.169 -2.663 1.00 0.00 N ATOM 109 CA PRO A 7 19.976 2.332 -2.815 1.00 0.00 C ATOM 110 C PRO A 7 21.231 2.008 -3.617 1.00 0.00 C ATOM 111 O PRO A 7 22.110 1.284 -3.149 1.00 0.00 O ATOM 112 CB PRO A 7 20.340 2.693 -1.373 1.00 0.00 C ATOM 113 CG PRO A 7 20.192 1.420 -0.615 1.00 0.00 C ATOM 114 CD PRO A 7 19.067 0.672 -1.277 1.00 0.00 C ATOM 0 HA PRO A 7 19.491 3.141 -3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.358 3.078 -1.306 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.680 3.467 -0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.115 0.840 -0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.968 1.614 0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.221 -0.406 -1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.110 0.877 -0.796 1.00 0.00 H new ATOM 122 N LYS A 8 21.311 2.550 -4.828 1.00 0.00 N ATOM 123 CA LYS A 8 22.460 2.320 -5.696 1.00 0.00 C ATOM 124 C LYS A 8 23.695 3.040 -5.164 1.00 0.00 C ATOM 125 O LYS A 8 23.809 3.296 -3.964 1.00 0.00 O ATOM 126 CB LYS A 8 22.154 2.794 -7.118 1.00 0.00 C ATOM 127 CG LYS A 8 20.690 2.663 -7.501 1.00 0.00 C ATOM 128 CD LYS A 8 20.509 2.625 -9.009 1.00 0.00 C ATOM 129 CE LYS A 8 20.578 4.019 -9.615 1.00 0.00 C ATOM 130 NZ LYS A 8 19.240 4.669 -9.664 1.00 0.00 N ATOM 0 H LYS A 8 20.593 3.152 -5.231 1.00 0.00 H new ATOM 0 HA LYS A 8 22.663 1.249 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.455 3.837 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.758 2.220 -7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.278 1.755 -7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.128 3.501 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 8 21.280 1.996 -9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.548 2.170 -9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 8 21.260 4.636 -9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.989 3.957 -10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.330 5.617 -10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.596 4.094 -10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.859 4.752 -8.700 1.00 0.00 H new ATOM 144 N LEU A 9 24.618 3.364 -6.063 1.00 0.00 N ATOM 145 CA LEU A 9 25.845 4.056 -5.684 1.00 0.00 C ATOM 146 C LEU A 9 25.553 5.492 -5.261 1.00 0.00 C ATOM 147 O LEU A 9 25.813 5.896 -4.127 1.00 0.00 O ATOM 148 CB LEU A 9 26.839 4.047 -6.847 1.00 0.00 C ATOM 149 CG LEU A 9 27.742 5.275 -6.967 1.00 0.00 C ATOM 150 CD1 LEU A 9 28.644 5.396 -5.749 1.00 0.00 C ATOM 151 CD2 LEU A 9 28.570 5.205 -8.242 1.00 0.00 C ATOM 0 H LEU A 9 24.540 3.159 -7.059 1.00 0.00 H new ATOM 0 HA LEU A 9 26.282 3.529 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 9 27.471 3.164 -6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 9 26.279 3.940 -7.776 1.00 0.00 H new ATOM 0 HG LEU A 9 27.111 6.163 -7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 9 29.279 6.276 -5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 9 28.033 5.493 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 9 29.268 4.506 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 9 29.207 6.087 -8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 9 29.191 4.309 -8.224 1.00 0.00 H new ATOM 0 HD23 LEU A 9 27.906 5.168 -9.106 1.00 0.00 H new ATOM 163 N PRO A 10 24.996 6.281 -6.191 1.00 0.00 N ATOM 164 CA PRO A 10 24.653 7.684 -5.937 1.00 0.00 C ATOM 165 C PRO A 10 23.481 7.828 -4.973 1.00 0.00 C ATOM 166 O PRO A 10 23.099 8.940 -4.606 1.00 0.00 O ATOM 167 CB PRO A 10 24.275 8.213 -7.323 1.00 0.00 C ATOM 168 CG PRO A 10 23.830 7.009 -8.080 1.00 0.00 C ATOM 169 CD PRO A 10 24.659 5.866 -7.563 1.00 0.00 C ATOM 0 HA PRO A 10 25.474 8.227 -5.468 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.481 8.957 -7.260 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.124 8.694 -7.808 1.00 0.00 H new ATOM 0 HG2 PRO A 10 22.767 6.822 -7.926 1.00 0.00 H new ATOM 0 HG3 PRO A 10 23.977 7.145 -9.151 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.102 4.929 -7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 10 25.553 5.713 -8.167 1.00 0.00 H new ATOM 177 N LEU A 11 22.913 6.698 -4.567 1.00 0.00 N ATOM 178 CA LEU A 11 21.783 6.699 -3.644 1.00 0.00 C ATOM 179 C LEU A 11 22.225 6.292 -2.242 1.00 0.00 C ATOM 180 O LEU A 11 21.858 6.930 -1.254 1.00 0.00 O ATOM 181 CB LEU A 11 20.691 5.750 -4.142 1.00 0.00 C ATOM 182 CG LEU A 11 19.960 6.179 -5.415 1.00 0.00 C ATOM 183 CD1 LEU A 11 18.491 5.792 -5.342 1.00 0.00 C ATOM 184 CD2 LEU A 11 20.108 7.677 -5.637 1.00 0.00 C ATOM 0 H LEU A 11 23.216 5.770 -4.862 1.00 0.00 H new ATOM 0 HA LEU A 11 21.383 7.712 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.139 4.772 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 11 19.955 5.627 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 11 20.410 5.661 -6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.986 6.105 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.405 4.711 -5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.028 6.282 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.581 7.964 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.685 8.214 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 11 21.164 7.928 -5.735 1.00 0.00 H new ATOM 196 N LEU A 12 23.016 5.228 -2.162 1.00 0.00 N ATOM 197 CA LEU A 12 23.511 4.737 -0.881 1.00 0.00 C ATOM 198 C LEU A 12 24.084 5.877 -0.045 1.00 0.00 C ATOM 199 O LEU A 12 23.910 5.918 1.173 1.00 0.00 O ATOM 200 CB LEU A 12 24.578 3.664 -1.101 1.00 0.00 C ATOM 201 CG LEU A 12 24.997 2.869 0.136 1.00 0.00 C ATOM 202 CD1 LEU A 12 23.818 2.692 1.081 1.00 0.00 C ATOM 203 CD2 LEU A 12 25.568 1.518 -0.266 1.00 0.00 C ATOM 0 H LEU A 12 23.328 4.689 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 12 22.672 4.300 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.211 2.963 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.464 4.142 -1.518 1.00 0.00 H new ATOM 0 HG LEU A 12 25.774 3.428 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.135 2.124 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.454 3.670 1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.019 2.155 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.861 0.966 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.813 0.952 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 12 26.440 1.666 -0.903 1.00 0.00 H new ATOM 215 N LYS A 13 24.767 6.804 -0.708 1.00 0.00 N ATOM 216 CA LYS A 13 25.363 7.948 -0.028 1.00 0.00 C ATOM 217 C LYS A 13 24.286 8.859 0.551 1.00 0.00 C ATOM 218 O LYS A 13 24.503 9.527 1.563 1.00 0.00 O ATOM 219 CB LYS A 13 26.248 8.738 -0.996 1.00 0.00 C ATOM 220 CG LYS A 13 27.156 7.863 -1.842 1.00 0.00 C ATOM 221 CD LYS A 13 27.165 8.308 -3.295 1.00 0.00 C ATOM 222 CE LYS A 13 28.240 9.353 -3.552 1.00 0.00 C ATOM 223 NZ LYS A 13 29.376 8.797 -4.338 1.00 0.00 N ATOM 0 H LYS A 13 24.922 6.785 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 13 25.976 7.573 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 13 25.613 9.331 -1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 13 26.859 9.438 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 13 28.170 7.898 -1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 13 26.824 6.826 -1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 13 27.333 7.445 -3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.189 8.716 -3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.806 10.197 -4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 13 28.609 9.736 -2.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 30.088 9.540 -4.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 29.807 8.008 -3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 29.028 8.455 -5.256 1.00 0.00 H new ATOM 237 N ILE A 14 23.125 8.880 -0.095 1.00 0.00 N ATOM 238 CA ILE A 14 22.014 9.707 0.359 1.00 0.00 C ATOM 239 C ILE A 14 21.568 9.308 1.762 1.00 0.00 C ATOM 240 O ILE A 14 21.536 10.135 2.674 1.00 0.00 O ATOM 241 CB ILE A 14 20.811 9.608 -0.597 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.252 9.882 -2.037 1.00 0.00 C ATOM 243 CG2 ILE A 14 19.719 10.581 -0.178 1.00 0.00 C ATOM 244 CD1 ILE A 14 21.693 11.310 -2.272 1.00 0.00 C ATOM 0 H ILE A 14 22.929 8.334 -0.934 1.00 0.00 H new ATOM 0 HA ILE A 14 22.373 10.736 0.373 1.00 0.00 H new ATOM 0 HB ILE A 14 20.408 8.596 -0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.072 9.210 -2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 14 20.428 9.649 -2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 14 18.876 10.499 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.389 10.344 0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.109 11.598 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.992 11.432 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.868 11.987 -2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.538 11.541 -1.623 1.00 0.00 H new ATOM 256 N LEU A 15 21.226 8.035 1.927 1.00 0.00 N ATOM 257 CA LEU A 15 20.784 7.524 3.220 1.00 0.00 C ATOM 258 C LEU A 15 21.946 7.456 4.206 1.00 0.00 C ATOM 259 O LEU A 15 21.772 7.686 5.403 1.00 0.00 O ATOM 260 CB LEU A 15 20.158 6.137 3.056 1.00 0.00 C ATOM 261 CG LEU A 15 19.086 6.009 1.973 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.505 7.372 1.633 1.00 0.00 C ATOM 263 CD2 LEU A 15 19.660 5.347 0.729 1.00 0.00 C ATOM 0 H LEU A 15 21.246 7.338 1.182 1.00 0.00 H new ATOM 0 HA LEU A 15 20.035 8.210 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.954 5.425 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.720 5.843 4.010 1.00 0.00 H new ATOM 0 HG LEU A 15 18.283 5.380 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.744 7.261 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.056 7.809 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.298 8.025 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.883 5.264 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.482 5.949 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.027 4.352 0.982 1.00 0.00 H new ATOM 275 N HIS A 16 23.132 7.142 3.694 1.00 0.00 N ATOM 276 CA HIS A 16 24.324 7.047 4.529 1.00 0.00 C ATOM 277 C HIS A 16 24.571 8.356 5.273 1.00 0.00 C ATOM 278 O HIS A 16 24.782 8.361 6.485 1.00 0.00 O ATOM 279 CB HIS A 16 25.543 6.693 3.676 1.00 0.00 C ATOM 280 CG HIS A 16 25.789 5.220 3.566 1.00 0.00 C ATOM 281 ND1 HIS A 16 27.046 4.659 3.646 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.930 4.189 3.383 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.951 3.348 3.516 1.00 0.00 C ATOM 284 NE2 HIS A 16 25.677 3.037 3.355 1.00 0.00 N ATOM 0 H HIS A 16 23.293 6.949 2.705 1.00 0.00 H new ATOM 0 HA HIS A 16 24.162 6.257 5.263 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.409 7.106 2.676 1.00 0.00 H new ATOM 0 HB3 HIS A 16 26.426 7.170 4.103 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.914 5.176 3.784 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.857 4.260 3.279 1.00 0.00 H new ATOM 0 HE1 HIS A 16 27.774 2.649 3.538 1.00 0.00 H new ATOM 292 N ALA A 17 24.546 9.463 4.538 1.00 0.00 N ATOM 293 CA ALA A 17 24.766 10.777 5.128 1.00 0.00 C ATOM 294 C ALA A 17 23.748 11.063 6.227 1.00 0.00 C ATOM 295 O ALA A 17 24.095 11.579 7.289 1.00 0.00 O ATOM 296 CB ALA A 17 24.705 11.854 4.056 1.00 0.00 C ATOM 0 H ALA A 17 24.375 9.475 3.532 1.00 0.00 H new ATOM 0 HA ALA A 17 25.759 10.784 5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.871 12.830 4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.475 11.667 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.725 11.838 3.579 1.00 0.00 H new ATOM 302 N ALA A 18 22.489 10.726 5.963 1.00 0.00 N ATOM 303 CA ALA A 18 21.421 10.945 6.930 1.00 0.00 C ATOM 304 C ALA A 18 21.604 10.063 8.160 1.00 0.00 C ATOM 305 O ALA A 18 20.933 10.248 9.175 1.00 0.00 O ATOM 306 CB ALA A 18 20.067 10.686 6.288 1.00 0.00 C ATOM 0 H ALA A 18 22.185 10.300 5.087 1.00 0.00 H new ATOM 0 HA ALA A 18 21.464 11.985 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.278 10.853 7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.928 11.363 5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 18 20.022 9.655 5.936 1.00 0.00 H new ATOM 312 N GLY A 19 22.516 9.100 8.062 1.00 0.00 N ATOM 313 CA GLY A 19 22.770 8.203 9.174 1.00 0.00 C ATOM 314 C GLY A 19 22.374 6.772 8.866 1.00 0.00 C ATOM 315 O GLY A 19 22.104 5.987 9.774 1.00 0.00 O ATOM 0 H GLY A 19 23.083 8.925 7.232 1.00 0.00 H new ATOM 0 HA2 GLY A 19 23.829 8.237 9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 19 22.220 8.549 10.049 1.00 0.00 H new ATOM 319 N ALA A 20 22.338 6.434 7.582 1.00 0.00 N ATOM 320 CA ALA A 20 21.972 5.088 7.157 1.00 0.00 C ATOM 321 C ALA A 20 23.211 4.238 6.899 1.00 0.00 C ATOM 322 O ALA A 20 24.337 4.688 7.108 1.00 0.00 O ATOM 323 CB ALA A 20 21.101 5.147 5.911 1.00 0.00 C ATOM 0 H ALA A 20 22.558 7.073 6.818 1.00 0.00 H new ATOM 0 HA ALA A 20 21.405 4.621 7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.835 4.135 5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 20 20.194 5.711 6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.649 5.637 5.107 1.00 0.00 H new ATOM 329 N GLN A 21 22.995 3.008 6.443 1.00 0.00 N ATOM 330 CA GLN A 21 24.096 2.095 6.158 1.00 0.00 C ATOM 331 C GLN A 21 23.572 0.728 5.731 1.00 0.00 C ATOM 332 O GLN A 21 22.855 0.065 6.478 1.00 0.00 O ATOM 333 CB GLN A 21 24.996 1.949 7.387 1.00 0.00 C ATOM 334 CG GLN A 21 26.480 1.960 7.058 1.00 0.00 C ATOM 335 CD GLN A 21 27.140 3.285 7.386 1.00 0.00 C ATOM 336 OE1 GLN A 21 26.763 4.330 6.659 1.00 0.00 O flip ATOM 337 NE2 GLN A 21 27.980 3.368 8.282 1.00 0.00 N flip ATOM 0 H GLN A 21 22.069 2.621 6.263 1.00 0.00 H new ATOM 0 HA GLN A 21 24.679 2.513 5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 21 24.781 2.759 8.083 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.752 1.017 7.897 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.977 1.164 7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.615 1.743 5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 21 28.240 2.539 8.816 1.00 0.00 H new ATOM 0 HE22 GLN A 21 28.416 4.266 8.491 1.00 0.00 H new ATOM 346 N GLY A 22 23.937 0.312 4.522 1.00 0.00 N ATOM 347 CA GLY A 22 23.494 -0.974 4.015 1.00 0.00 C ATOM 348 C GLY A 22 23.242 -0.953 2.521 1.00 0.00 C ATOM 349 O GLY A 22 23.687 -0.042 1.823 1.00 0.00 O ATOM 0 H GLY A 22 24.531 0.842 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.246 -1.729 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.580 -1.269 4.530 1.00 0.00 H new ATOM 353 N GLU A 23 22.529 -1.961 2.028 1.00 0.00 N ATOM 354 CA GLU A 23 22.221 -2.055 0.606 1.00 0.00 C ATOM 355 C GLU A 23 20.752 -2.408 0.389 1.00 0.00 C ATOM 356 O GLU A 23 20.325 -2.667 -0.735 1.00 0.00 O ATOM 357 CB GLU A 23 23.113 -3.103 -0.063 1.00 0.00 C ATOM 358 CG GLU A 23 24.559 -3.056 0.399 1.00 0.00 C ATOM 359 CD GLU A 23 25.363 -4.250 -0.078 1.00 0.00 C ATOM 360 OE1 GLU A 23 25.664 -4.319 -1.288 1.00 0.00 O ATOM 361 OE2 GLU A 23 25.692 -5.116 0.761 1.00 0.00 O ATOM 0 H GLU A 23 22.154 -2.724 2.592 1.00 0.00 H new ATOM 0 HA GLU A 23 22.413 -1.082 0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 23 22.708 -4.095 0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.081 -2.959 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 23 25.024 -2.140 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.587 -3.015 1.488 1.00 0.00 H new ATOM 368 N MET A 24 19.985 -2.416 1.475 1.00 0.00 N ATOM 369 CA MET A 24 18.564 -2.736 1.403 1.00 0.00 C ATOM 370 C MET A 24 17.769 -1.903 2.403 1.00 0.00 C ATOM 371 O MET A 24 18.178 -1.737 3.553 1.00 0.00 O ATOM 372 CB MET A 24 18.341 -4.225 1.671 1.00 0.00 C ATOM 373 CG MET A 24 19.440 -4.864 2.505 1.00 0.00 C ATOM 374 SD MET A 24 20.813 -5.464 1.503 1.00 0.00 S ATOM 375 CE MET A 24 22.165 -5.337 2.671 1.00 0.00 C ATOM 0 H MET A 24 20.323 -2.205 2.414 1.00 0.00 H new ATOM 0 HA MET A 24 18.213 -2.499 0.399 1.00 0.00 H new ATOM 0 HB2 MET A 24 17.387 -4.355 2.182 1.00 0.00 H new ATOM 0 HB3 MET A 24 18.267 -4.750 0.719 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.813 -4.137 3.226 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.022 -5.693 3.075 1.00 0.00 H new ATOM 0 HE1 MET A 24 23.065 -5.006 2.152 1.00 0.00 H new ATOM 0 HE2 MET A 24 21.909 -4.616 3.447 1.00 0.00 H new ATOM 0 HE3 MET A 24 22.346 -6.311 3.126 1.00 0.00 H new ATOM 385 N PHE A 25 16.631 -1.381 1.958 1.00 0.00 N ATOM 386 CA PHE A 25 15.778 -0.563 2.814 1.00 0.00 C ATOM 387 C PHE A 25 14.369 -0.458 2.238 1.00 0.00 C ATOM 388 O PHE A 25 14.158 -0.660 1.042 1.00 0.00 O ATOM 389 CB PHE A 25 16.378 0.834 2.983 1.00 0.00 C ATOM 390 CG PHE A 25 17.822 0.821 3.398 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.824 0.632 2.460 1.00 0.00 C ATOM 392 CD2 PHE A 25 18.176 0.998 4.726 1.00 0.00 C ATOM 393 CE1 PHE A 25 20.153 0.619 2.840 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.503 0.986 5.111 1.00 0.00 C ATOM 395 CZ PHE A 25 20.493 0.797 4.167 1.00 0.00 C ATOM 0 H PHE A 25 16.278 -1.509 1.010 1.00 0.00 H new ATOM 0 HA PHE A 25 15.717 -1.045 3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.283 1.377 2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.799 1.381 3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.564 0.493 1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 25 17.406 1.147 5.468 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.925 0.470 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.766 1.124 6.149 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.531 0.788 4.466 1.00 0.00 H new ATOM 405 N THR A 26 13.406 -0.142 3.098 1.00 0.00 N ATOM 406 CA THR A 26 12.017 -0.012 2.677 1.00 0.00 C ATOM 407 C THR A 26 11.658 1.445 2.411 1.00 0.00 C ATOM 408 O THR A 26 12.481 2.342 2.596 1.00 0.00 O ATOM 409 CB THR A 26 11.053 -0.582 3.734 1.00 0.00 C ATOM 410 OG1 THR A 26 11.748 -0.788 4.970 1.00 0.00 O ATOM 411 CG2 THR A 26 10.447 -1.895 3.262 1.00 0.00 C ATOM 0 H THR A 26 13.563 0.029 4.091 1.00 0.00 H new ATOM 0 HA THR A 26 11.912 -0.584 1.755 1.00 0.00 H new ATOM 0 HB THR A 26 10.248 0.137 3.885 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.128 -1.149 5.638 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.770 -2.278 4.025 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.895 -1.729 2.337 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.242 -2.620 3.085 1.00 0.00 H new ATOM 419 N VAL A 27 10.423 1.676 1.976 1.00 0.00 N ATOM 420 CA VAL A 27 9.954 3.025 1.686 1.00 0.00 C ATOM 421 C VAL A 27 10.137 3.941 2.891 1.00 0.00 C ATOM 422 O VAL A 27 10.521 5.103 2.750 1.00 0.00 O ATOM 423 CB VAL A 27 8.470 3.027 1.275 1.00 0.00 C ATOM 424 CG1 VAL A 27 8.150 4.253 0.433 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.124 1.750 0.524 1.00 0.00 C ATOM 0 H VAL A 27 9.729 0.945 1.817 1.00 0.00 H new ATOM 0 HA VAL A 27 10.554 3.397 0.855 1.00 0.00 H new ATOM 0 HB VAL A 27 7.861 3.067 2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.097 4.237 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.358 5.155 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.765 4.247 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.072 1.768 0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.740 1.677 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.313 0.889 1.165 1.00 0.00 H new ATOM 435 N LYS A 28 9.861 3.411 4.077 1.00 0.00 N ATOM 436 CA LYS A 28 9.996 4.179 5.309 1.00 0.00 C ATOM 437 C LYS A 28 11.464 4.455 5.620 1.00 0.00 C ATOM 438 O LYS A 28 11.851 5.596 5.870 1.00 0.00 O ATOM 439 CB LYS A 28 9.349 3.430 6.476 1.00 0.00 C ATOM 440 CG LYS A 28 7.960 3.935 6.828 1.00 0.00 C ATOM 441 CD LYS A 28 6.908 2.857 6.631 1.00 0.00 C ATOM 442 CE LYS A 28 7.332 1.541 7.264 1.00 0.00 C ATOM 443 NZ LYS A 28 8.187 1.753 8.465 1.00 0.00 N ATOM 0 H LYS A 28 9.542 2.452 4.212 1.00 0.00 H new ATOM 0 HA LYS A 28 9.486 5.132 5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.289 2.370 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.991 3.516 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.947 4.273 7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.718 4.798 6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.964 3.184 7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.732 2.709 5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.446 0.971 7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.876 0.944 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.996 1.006 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.189 1.720 8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.974 2.681 8.883 1.00 0.00 H new ATOM 457 N GLU A 29 12.276 3.402 5.601 1.00 0.00 N ATOM 458 CA GLU A 29 13.701 3.533 5.881 1.00 0.00 C ATOM 459 C GLU A 29 14.336 4.595 4.988 1.00 0.00 C ATOM 460 O GLU A 29 15.195 5.359 5.427 1.00 0.00 O ATOM 461 CB GLU A 29 14.408 2.191 5.677 1.00 0.00 C ATOM 462 CG GLU A 29 14.118 1.178 6.772 1.00 0.00 C ATOM 463 CD GLU A 29 14.868 -0.125 6.575 1.00 0.00 C ATOM 464 OE1 GLU A 29 16.063 -0.183 6.934 1.00 0.00 O ATOM 465 OE2 GLU A 29 14.260 -1.087 6.061 1.00 0.00 O ATOM 0 H GLU A 29 11.972 2.451 5.395 1.00 0.00 H new ATOM 0 HA GLU A 29 13.814 3.842 6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.105 1.773 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.484 2.360 5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.387 1.605 7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.047 0.976 6.800 1.00 0.00 H new ATOM 472 N VAL A 30 13.906 4.637 3.731 1.00 0.00 N ATOM 473 CA VAL A 30 14.430 5.605 2.775 1.00 0.00 C ATOM 474 C VAL A 30 13.878 7.000 3.047 1.00 0.00 C ATOM 475 O VAL A 30 14.634 7.944 3.274 1.00 0.00 O ATOM 476 CB VAL A 30 14.092 5.204 1.327 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.758 6.152 0.341 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.511 3.766 1.061 1.00 0.00 C ATOM 0 H VAL A 30 13.196 4.011 3.351 1.00 0.00 H new ATOM 0 HA VAL A 30 15.513 5.616 2.897 1.00 0.00 H new ATOM 0 HB VAL A 30 13.013 5.275 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.508 5.853 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.405 7.168 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.839 6.115 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.265 3.499 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.586 3.666 1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.983 3.101 1.745 1.00 0.00 H new ATOM 488 N MET A 31 12.555 7.121 3.021 1.00 0.00 N ATOM 489 CA MET A 31 11.900 8.401 3.267 1.00 0.00 C ATOM 490 C MET A 31 12.395 9.024 4.569 1.00 0.00 C ATOM 491 O MET A 31 12.560 10.241 4.663 1.00 0.00 O ATOM 492 CB MET A 31 10.382 8.221 3.319 1.00 0.00 C ATOM 493 CG MET A 31 9.810 8.290 4.725 1.00 0.00 C ATOM 494 SD MET A 31 9.735 9.975 5.363 1.00 0.00 S ATOM 495 CE MET A 31 8.659 10.746 4.157 1.00 0.00 C ATOM 0 H MET A 31 11.916 6.349 2.832 1.00 0.00 H new ATOM 0 HA MET A 31 12.150 9.072 2.445 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.912 8.990 2.706 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.123 7.259 2.877 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.808 7.860 4.727 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.420 7.680 5.391 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.231 11.655 4.580 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.233 10.996 3.264 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.857 10.057 3.892 1.00 0.00 H new ATOM 505 N HIS A 32 12.629 8.182 5.570 1.00 0.00 N ATOM 506 CA HIS A 32 13.106 8.651 6.867 1.00 0.00 C ATOM 507 C HIS A 32 14.441 9.376 6.726 1.00 0.00 C ATOM 508 O HIS A 32 14.709 10.347 7.434 1.00 0.00 O ATOM 509 CB HIS A 32 13.249 7.477 7.836 1.00 0.00 C ATOM 510 CG HIS A 32 13.202 7.880 9.277 1.00 0.00 C ATOM 511 ND1 HIS A 32 12.267 7.392 10.165 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.982 8.730 9.985 1.00 0.00 C ATOM 513 CE1 HIS A 32 12.473 7.925 11.356 1.00 0.00 C ATOM 514 NE2 HIS A 32 13.508 8.741 11.274 1.00 0.00 N ATOM 0 H HIS A 32 12.496 7.172 5.509 1.00 0.00 H new ATOM 0 HA HIS A 32 12.373 9.353 7.264 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.453 6.758 7.642 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.193 6.968 7.640 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.821 9.295 9.607 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.893 7.727 12.246 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.893 9.290 12.043 1.00 0.00 H new ATOM 522 N TYR A 33 15.274 8.898 5.809 1.00 0.00 N ATOM 523 CA TYR A 33 16.582 9.498 5.578 1.00 0.00 C ATOM 524 C TYR A 33 16.451 10.810 4.810 1.00 0.00 C ATOM 525 O TYR A 33 17.266 11.720 4.969 1.00 0.00 O ATOM 526 CB TYR A 33 17.481 8.531 4.806 1.00 0.00 C ATOM 527 CG TYR A 33 17.853 7.293 5.591 1.00 0.00 C ATOM 528 CD1 TYR A 33 18.427 7.392 6.852 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.630 6.024 5.070 1.00 0.00 C ATOM 530 CE1 TYR A 33 18.769 6.264 7.572 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.968 4.890 5.784 1.00 0.00 C ATOM 532 CZ TYR A 33 18.537 5.015 7.034 1.00 0.00 C ATOM 533 OH TYR A 33 18.875 3.889 7.749 1.00 0.00 O ATOM 0 H TYR A 33 15.067 8.096 5.213 1.00 0.00 H new ATOM 0 HA TYR A 33 17.033 9.708 6.548 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.974 8.231 3.889 1.00 0.00 H new ATOM 0 HB3 TYR A 33 18.392 9.052 4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 33 18.609 8.368 7.277 1.00 0.00 H new ATOM 0 HD2 TYR A 33 17.185 5.922 4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 33 19.216 6.359 8.551 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.787 3.911 5.365 1.00 0.00 H new ATOM 0 HH TYR A 33 18.645 3.090 7.229 1.00 0.00 H new ATOM 543 N LEU A 34 15.420 10.901 3.978 1.00 0.00 N ATOM 544 CA LEU A 34 15.179 12.102 3.185 1.00 0.00 C ATOM 545 C LEU A 34 15.117 13.339 4.076 1.00 0.00 C ATOM 546 O LEU A 34 15.912 14.266 3.924 1.00 0.00 O ATOM 547 CB LEU A 34 13.878 11.963 2.395 1.00 0.00 C ATOM 548 CG LEU A 34 14.027 11.735 0.890 1.00 0.00 C ATOM 549 CD1 LEU A 34 14.662 12.948 0.228 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.851 10.485 0.619 1.00 0.00 C ATOM 0 H LEU A 34 14.737 10.157 3.835 1.00 0.00 H new ATOM 0 HA LEU A 34 16.009 12.220 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.309 11.132 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.285 12.865 2.549 1.00 0.00 H new ATOM 0 HG LEU A 34 13.034 11.591 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 34 14.760 12.768 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.033 13.823 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.648 13.123 0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.947 10.338 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.842 10.600 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.356 9.620 1.060 1.00 0.00 H new ATOM 562 N GLY A 35 14.168 13.344 5.007 1.00 0.00 N ATOM 563 CA GLY A 35 14.021 14.471 5.910 1.00 0.00 C ATOM 564 C GLY A 35 15.312 14.811 6.628 1.00 0.00 C ATOM 565 O GLY A 35 15.709 15.975 6.686 1.00 0.00 O ATOM 0 H GLY A 35 13.499 12.588 5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.682 15.341 5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.249 14.245 6.645 1.00 0.00 H new ATOM 569 N GLN A 36 15.968 13.793 7.177 1.00 0.00 N ATOM 570 CA GLN A 36 17.220 13.992 7.896 1.00 0.00 C ATOM 571 C GLN A 36 18.287 14.583 6.981 1.00 0.00 C ATOM 572 O GLN A 36 19.032 15.479 7.377 1.00 0.00 O ATOM 573 CB GLN A 36 17.712 12.667 8.482 1.00 0.00 C ATOM 574 CG GLN A 36 16.710 12.005 9.415 1.00 0.00 C ATOM 575 CD GLN A 36 17.316 11.633 10.753 1.00 0.00 C ATOM 576 OE1 GLN A 36 17.126 10.521 11.247 1.00 0.00 O ATOM 577 NE2 GLN A 36 18.052 12.564 11.349 1.00 0.00 N ATOM 0 H GLN A 36 15.653 12.824 7.137 1.00 0.00 H new ATOM 0 HA GLN A 36 17.035 14.695 8.708 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.944 11.982 7.666 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.641 12.842 9.025 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.869 12.679 9.576 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.313 11.109 8.939 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.184 13.472 10.904 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.486 12.371 12.252 1.00 0.00 H new ATOM 586 N TYR A 37 18.355 14.075 5.755 1.00 0.00 N ATOM 587 CA TYR A 37 19.332 14.551 4.784 1.00 0.00 C ATOM 588 C TYR A 37 19.159 16.044 4.523 1.00 0.00 C ATOM 589 O TYR A 37 20.127 16.805 4.540 1.00 0.00 O ATOM 590 CB TYR A 37 19.199 13.775 3.473 1.00 0.00 C ATOM 591 CG TYR A 37 20.201 14.190 2.419 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.553 13.904 2.566 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.796 14.869 1.276 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.471 14.282 1.606 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.707 15.250 0.311 1.00 0.00 C ATOM 596 CZ TYR A 37 22.044 14.954 0.480 1.00 0.00 C ATOM 597 OH TYR A 37 22.955 15.332 -0.479 1.00 0.00 O ATOM 0 H TYR A 37 17.745 13.334 5.411 1.00 0.00 H new ATOM 0 HA TYR A 37 20.327 14.386 5.198 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.318 12.711 3.677 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.192 13.913 3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.892 13.377 3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.750 15.103 1.140 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.518 14.052 1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.375 15.777 -0.571 1.00 0.00 H new ATOM 0 HH TYR A 37 22.490 15.794 -1.208 1.00 0.00 H new ATOM 607 N ILE A 38 17.918 16.456 4.283 1.00 0.00 N ATOM 608 CA ILE A 38 17.617 17.858 4.020 1.00 0.00 C ATOM 609 C ILE A 38 18.005 18.735 5.206 1.00 0.00 C ATOM 610 O ILE A 38 18.661 19.763 5.041 1.00 0.00 O ATOM 611 CB ILE A 38 16.122 18.063 3.711 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.682 17.141 2.572 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.850 19.518 3.357 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.184 17.101 2.371 1.00 0.00 C ATOM 0 H ILE A 38 17.106 15.839 4.265 1.00 0.00 H new ATOM 0 HA ILE A 38 18.203 18.150 3.149 1.00 0.00 H new ATOM 0 HB ILE A 38 15.544 17.811 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.156 17.469 1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.040 16.132 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.790 19.648 3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.130 20.155 4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.435 19.795 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.945 16.428 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.704 16.744 3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.821 18.102 2.138 1.00 0.00 H new ATOM 626 N MET A 39 17.596 18.320 6.400 1.00 0.00 N ATOM 627 CA MET A 39 17.903 19.067 7.615 1.00 0.00 C ATOM 628 C MET A 39 19.409 19.112 7.858 1.00 0.00 C ATOM 629 O MET A 39 19.942 20.117 8.328 1.00 0.00 O ATOM 630 CB MET A 39 17.198 18.439 8.818 1.00 0.00 C ATOM 631 CG MET A 39 18.152 17.810 9.821 1.00 0.00 C ATOM 632 SD MET A 39 17.307 17.189 11.288 1.00 0.00 S ATOM 633 CE MET A 39 16.092 18.478 11.550 1.00 0.00 C ATOM 0 H MET A 39 17.051 17.471 6.553 1.00 0.00 H new ATOM 0 HA MET A 39 17.543 20.088 7.486 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.606 19.203 9.322 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.502 17.678 8.465 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.689 16.991 9.342 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.897 18.548 10.120 1.00 0.00 H new ATOM 0 HE1 MET A 39 15.648 18.364 12.539 1.00 0.00 H new ATOM 0 HE2 MET A 39 16.575 19.453 11.479 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.313 18.403 10.792 1.00 0.00 H new ATOM 643 N VAL A 40 20.089 18.016 7.537 1.00 0.00 N ATOM 644 CA VAL A 40 21.532 17.931 7.720 1.00 0.00 C ATOM 645 C VAL A 40 22.263 18.880 6.777 1.00 0.00 C ATOM 646 O VAL A 40 23.257 19.503 7.153 1.00 0.00 O ATOM 647 CB VAL A 40 22.044 16.497 7.486 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.798 16.408 6.168 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.924 16.050 8.644 1.00 0.00 C ATOM 0 H VAL A 40 19.663 17.174 7.149 1.00 0.00 H new ATOM 0 HA VAL A 40 21.737 18.219 8.751 1.00 0.00 H new ATOM 0 HB VAL A 40 21.186 15.827 7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.152 15.388 6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.133 16.684 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.649 17.088 6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.277 15.035 8.462 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.779 16.721 8.732 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.348 16.073 9.569 1.00 0.00 H new ATOM 659 N LYS A 41 21.765 18.986 5.550 1.00 0.00 N ATOM 660 CA LYS A 41 22.368 19.861 4.552 1.00 0.00 C ATOM 661 C LYS A 41 21.853 21.290 4.697 1.00 0.00 C ATOM 662 O LYS A 41 22.437 22.227 4.156 1.00 0.00 O ATOM 663 CB LYS A 41 22.072 19.342 3.143 1.00 0.00 C ATOM 664 CG LYS A 41 23.059 18.292 2.663 1.00 0.00 C ATOM 665 CD LYS A 41 24.442 18.884 2.446 1.00 0.00 C ATOM 666 CE LYS A 41 25.479 18.217 3.336 1.00 0.00 C ATOM 667 NZ LYS A 41 26.823 18.188 2.696 1.00 0.00 N ATOM 0 H LYS A 41 20.944 18.476 5.223 1.00 0.00 H new ATOM 0 HA LYS A 41 23.446 19.864 4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.067 18.920 3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.079 20.181 2.447 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.118 17.486 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.700 17.853 1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.729 18.768 1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.418 19.954 2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.540 18.750 4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 41 25.162 17.199 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 27.502 17.726 3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 26.771 17.658 1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 27.137 19.161 2.503 1.00 0.00 H new ATOM 681 N GLN A 42 20.756 21.446 5.433 1.00 0.00 N ATOM 682 CA GLN A 42 20.164 22.761 5.649 1.00 0.00 C ATOM 683 C GLN A 42 19.603 23.326 4.348 1.00 0.00 C ATOM 684 O GLN A 42 20.033 24.381 3.880 1.00 0.00 O ATOM 685 CB GLN A 42 21.202 23.722 6.230 1.00 0.00 C ATOM 686 CG GLN A 42 21.080 23.913 7.733 1.00 0.00 C ATOM 687 CD GLN A 42 21.906 22.912 8.518 1.00 0.00 C ATOM 688 OE1 GLN A 42 22.026 21.700 7.989 1.00 0.00 O flip ATOM 689 NE2 GLN A 42 22.429 23.225 9.587 1.00 0.00 N flip ATOM 0 H GLN A 42 20.261 20.680 5.889 1.00 0.00 H new ATOM 0 HA GLN A 42 19.344 22.650 6.359 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.200 23.349 5.999 1.00 0.00 H new ATOM 0 HB3 GLN A 42 21.103 24.690 5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.396 24.923 7.994 1.00 0.00 H new ATOM 0 HG3 GLN A 42 20.033 23.822 8.023 1.00 0.00 H new ATOM 0 HE21 GLN A 42 22.310 24.168 9.956 1.00 0.00 H new ATOM 0 HE22 GLN A 42 22.981 22.541 10.104 1.00 0.00 H new ATOM 698 N LEU A 43 18.640 22.618 3.769 1.00 0.00 N ATOM 699 CA LEU A 43 18.019 23.048 2.521 1.00 0.00 C ATOM 700 C LEU A 43 16.507 23.172 2.679 1.00 0.00 C ATOM 701 O LEU A 43 15.743 22.476 2.010 1.00 0.00 O ATOM 702 CB LEU A 43 18.347 22.062 1.398 1.00 0.00 C ATOM 703 CG LEU A 43 19.823 21.698 1.234 1.00 0.00 C ATOM 704 CD1 LEU A 43 19.972 20.230 0.863 1.00 0.00 C ATOM 705 CD2 LEU A 43 20.478 22.585 0.185 1.00 0.00 C ATOM 0 H LEU A 43 18.272 21.744 4.144 1.00 0.00 H new ATOM 0 HA LEU A 43 18.420 24.028 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 43 17.784 21.145 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.990 22.482 0.457 1.00 0.00 H new ATOM 0 HG LEU A 43 20.327 21.864 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 43 21.029 19.989 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 43 19.540 19.610 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.454 20.038 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 43 21.528 22.312 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.973 22.451 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 43 20.403 23.628 0.492 1.00 0.00 H new ATOM 717 N TYR A 44 16.082 24.064 3.567 1.00 0.00 N ATOM 718 CA TYR A 44 14.661 24.279 3.813 1.00 0.00 C ATOM 719 C TYR A 44 14.440 25.510 4.688 1.00 0.00 C ATOM 720 O TYR A 44 15.385 26.063 5.251 1.00 0.00 O ATOM 721 CB TYR A 44 14.045 23.048 4.480 1.00 0.00 C ATOM 722 CG TYR A 44 14.609 22.758 5.853 1.00 0.00 C ATOM 723 CD1 TYR A 44 15.965 22.516 6.032 1.00 0.00 C ATOM 724 CD2 TYR A 44 13.785 22.726 6.972 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.485 22.250 7.284 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.296 22.462 8.228 1.00 0.00 C ATOM 727 CZ TYR A 44 15.646 22.225 8.379 1.00 0.00 C ATOM 728 OH TYR A 44 16.159 21.960 9.628 1.00 0.00 O ATOM 0 H TYR A 44 16.701 24.649 4.128 1.00 0.00 H new ATOM 0 HA TYR A 44 14.173 24.446 2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 44 12.967 23.190 4.562 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.204 22.180 3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.625 22.536 5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.727 22.911 6.858 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.542 22.063 7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.642 22.441 9.087 1.00 0.00 H new ATOM 0 HH TYR A 44 15.436 21.981 10.290 1.00 0.00 H new ATOM 738 N ASP A 45 13.185 25.932 4.797 1.00 0.00 N ATOM 739 CA ASP A 45 12.838 27.096 5.604 1.00 0.00 C ATOM 740 C ASP A 45 12.689 26.714 7.073 1.00 0.00 C ATOM 741 O ASP A 45 11.765 25.991 7.445 1.00 0.00 O ATOM 742 CB ASP A 45 11.541 27.728 5.094 1.00 0.00 C ATOM 743 CG ASP A 45 11.681 29.217 4.848 1.00 0.00 C ATOM 744 OD1 ASP A 45 12.703 29.796 5.273 1.00 0.00 O ATOM 745 OD2 ASP A 45 10.768 29.804 4.229 1.00 0.00 O ATOM 0 H ASP A 45 12.392 25.486 4.337 1.00 0.00 H new ATOM 0 HA ASP A 45 13.646 27.822 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.240 27.236 4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.746 27.556 5.820 1.00 0.00 H new ATOM 750 N GLN A 46 13.605 27.203 7.902 1.00 0.00 N ATOM 751 CA GLN A 46 13.576 26.911 9.330 1.00 0.00 C ATOM 752 C GLN A 46 12.242 27.325 9.944 1.00 0.00 C ATOM 753 O GLN A 46 11.837 26.800 10.980 1.00 0.00 O ATOM 754 CB GLN A 46 14.723 27.629 10.043 1.00 0.00 C ATOM 755 CG GLN A 46 16.019 26.835 10.063 1.00 0.00 C ATOM 756 CD GLN A 46 16.145 25.893 8.882 1.00 0.00 C ATOM 757 OE1 GLN A 46 16.211 26.454 7.681 1.00 0.00 O flip ATOM 758 NE2 GLN A 46 16.181 24.673 9.048 1.00 0.00 N flip ATOM 0 H GLN A 46 14.376 27.803 7.610 1.00 0.00 H new ATOM 0 HA GLN A 46 13.696 25.835 9.457 1.00 0.00 H new ATOM 0 HB2 GLN A 46 14.901 28.587 9.554 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.423 27.846 11.068 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.863 27.525 10.064 1.00 0.00 H new ATOM 0 HG3 GLN A 46 16.075 26.261 10.988 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.127 24.285 9.990 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.265 24.051 8.244 1.00 0.00 H new ATOM 767 N GLN A 47 11.566 28.269 9.297 1.00 0.00 N ATOM 768 CA GLN A 47 10.279 28.753 9.780 1.00 0.00 C ATOM 769 C GLN A 47 9.163 27.774 9.431 1.00 0.00 C ATOM 770 O GLN A 47 8.219 27.595 10.200 1.00 0.00 O ATOM 771 CB GLN A 47 9.971 30.128 9.185 1.00 0.00 C ATOM 772 CG GLN A 47 11.211 30.966 8.916 1.00 0.00 C ATOM 773 CD GLN A 47 12.215 30.903 10.049 1.00 0.00 C ATOM 774 OE1 GLN A 47 13.320 30.202 9.824 1.00 0.00 O flip ATOM 775 NE2 GLN A 47 12.001 31.478 11.117 1.00 0.00 N flip ATOM 0 H GLN A 47 11.888 28.713 8.437 1.00 0.00 H new ATOM 0 HA GLN A 47 10.336 28.839 10.865 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.422 29.997 8.253 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.316 30.671 9.866 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.685 30.622 7.996 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.916 32.003 8.754 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.138 32.006 11.248 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.687 31.426 11.870 1.00 0.00 H new ATOM 784 N GLU A 48 9.278 27.143 8.267 1.00 0.00 N ATOM 785 CA GLU A 48 8.278 26.183 7.817 1.00 0.00 C ATOM 786 C GLU A 48 8.940 24.911 7.294 1.00 0.00 C ATOM 787 O GLU A 48 9.213 24.788 6.100 1.00 0.00 O ATOM 788 CB GLU A 48 7.401 26.800 6.725 1.00 0.00 C ATOM 789 CG GLU A 48 6.399 27.815 7.251 1.00 0.00 C ATOM 790 CD GLU A 48 5.610 27.295 8.436 1.00 0.00 C ATOM 791 OE1 GLU A 48 5.298 26.086 8.459 1.00 0.00 O ATOM 792 OE2 GLU A 48 5.304 28.099 9.342 1.00 0.00 O ATOM 0 H GLU A 48 10.054 27.279 7.619 1.00 0.00 H new ATOM 0 HA GLU A 48 7.653 25.922 8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.041 27.283 5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.863 26.004 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.926 28.724 7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.710 28.088 6.452 1.00 0.00 H new ATOM 799 N GLN A 49 9.197 23.970 8.197 1.00 0.00 N ATOM 800 CA GLN A 49 9.828 22.709 7.827 1.00 0.00 C ATOM 801 C GLN A 49 9.044 22.011 6.721 1.00 0.00 C ATOM 802 O GLN A 49 9.575 21.154 6.014 1.00 0.00 O ATOM 803 CB GLN A 49 9.938 21.792 9.046 1.00 0.00 C ATOM 804 CG GLN A 49 11.028 22.206 10.022 1.00 0.00 C ATOM 805 CD GLN A 49 10.484 22.956 11.222 1.00 0.00 C ATOM 806 OE1 GLN A 49 9.299 22.857 11.545 1.00 0.00 O ATOM 807 NE2 GLN A 49 11.347 23.710 11.891 1.00 0.00 N ATOM 0 H GLN A 49 8.978 24.057 9.189 1.00 0.00 H new ATOM 0 HA GLN A 49 10.829 22.929 7.455 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.981 21.778 9.567 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.132 20.774 8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.560 21.318 10.364 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.754 22.833 9.505 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.320 23.763 11.588 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.038 24.237 12.708 1.00 0.00 H new ATOM 816 N HIS A 50 7.776 22.383 6.576 1.00 0.00 N ATOM 817 CA HIS A 50 6.917 21.792 5.556 1.00 0.00 C ATOM 818 C HIS A 50 7.292 22.305 4.168 1.00 0.00 C ATOM 819 O HIS A 50 6.716 21.885 3.165 1.00 0.00 O ATOM 820 CB HIS A 50 5.450 22.106 5.849 1.00 0.00 C ATOM 821 CG HIS A 50 5.057 23.510 5.506 1.00 0.00 C ATOM 822 ND1 HIS A 50 4.935 24.128 4.308 1.00 0.00 N flip ATOM 823 CD2 HIS A 50 4.738 24.456 6.457 1.00 0.00 C flip ATOM 824 CE1 HIS A 50 4.547 25.421 4.554 1.00 0.00 C flip ATOM 825 NE2 HIS A 50 4.434 25.594 5.859 1.00 0.00 N flip ATOM 0 H HIS A 50 7.321 23.091 7.152 1.00 0.00 H new ATOM 0 HA HIS A 50 7.060 20.712 5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.820 21.414 5.289 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.254 21.931 6.907 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.737 24.292 7.524 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.364 26.175 3.803 1.00 0.00 H new ATOM 0 HE2 HIS A 50 4.159 26.459 6.325 1.00 0.00 H new ATOM 833 N MET A 51 8.259 23.215 4.120 1.00 0.00 N ATOM 834 CA MET A 51 8.710 23.784 2.855 1.00 0.00 C ATOM 835 C MET A 51 10.191 23.499 2.628 1.00 0.00 C ATOM 836 O MET A 51 11.054 24.248 3.085 1.00 0.00 O ATOM 837 CB MET A 51 8.459 25.293 2.832 1.00 0.00 C ATOM 838 CG MET A 51 7.593 25.748 1.669 1.00 0.00 C ATOM 839 SD MET A 51 8.563 26.355 0.276 1.00 0.00 S ATOM 840 CE MET A 51 9.488 24.885 -0.159 1.00 0.00 C ATOM 0 H MET A 51 8.745 23.574 4.942 1.00 0.00 H new ATOM 0 HA MET A 51 8.141 23.316 2.051 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.982 25.588 3.767 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.417 25.812 2.786 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.970 24.917 1.338 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.920 26.535 2.009 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.547 24.800 -1.244 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.494 24.952 0.255 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.987 24.006 0.247 1.00 0.00 H new ATOM 850 N VAL A 52 10.478 22.412 1.920 1.00 0.00 N ATOM 851 CA VAL A 52 11.855 22.028 1.632 1.00 0.00 C ATOM 852 C VAL A 52 12.426 22.854 0.484 1.00 0.00 C ATOM 853 O VAL A 52 11.757 23.081 -0.524 1.00 0.00 O ATOM 854 CB VAL A 52 11.959 20.534 1.276 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.298 20.232 0.620 1.00 0.00 C ATOM 856 CG2 VAL A 52 11.759 19.676 2.517 1.00 0.00 C ATOM 0 H VAL A 52 9.775 21.781 1.535 1.00 0.00 H new ATOM 0 HA VAL A 52 12.433 22.218 2.536 1.00 0.00 H new ATOM 0 HB VAL A 52 11.170 20.293 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.352 19.171 0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.397 20.820 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.105 20.488 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.836 18.623 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.524 19.918 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.773 19.872 2.940 1.00 0.00 H new ATOM 866 N TYR A 53 13.668 23.299 0.644 1.00 0.00 N ATOM 867 CA TYR A 53 14.329 24.101 -0.379 1.00 0.00 C ATOM 868 C TYR A 53 15.406 23.290 -1.095 1.00 0.00 C ATOM 869 O TYR A 53 16.583 23.652 -1.081 1.00 0.00 O ATOM 870 CB TYR A 53 14.949 25.352 0.246 1.00 0.00 C ATOM 871 CG TYR A 53 13.974 26.498 0.399 1.00 0.00 C ATOM 872 CD1 TYR A 53 13.305 27.018 -0.702 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.724 27.062 1.644 1.00 0.00 C ATOM 874 CE1 TYR A 53 12.414 28.065 -0.567 1.00 0.00 C ATOM 875 CE2 TYR A 53 12.834 28.108 1.788 1.00 0.00 C ATOM 876 CZ TYR A 53 12.182 28.607 0.680 1.00 0.00 C ATOM 877 OH TYR A 53 11.295 29.650 0.819 1.00 0.00 O ATOM 0 H TYR A 53 14.236 23.118 1.471 1.00 0.00 H new ATOM 0 HA TYR A 53 13.579 24.402 -1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.353 25.097 1.225 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.787 25.679 -0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.485 26.597 -1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.234 26.676 2.514 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.902 28.457 -1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.649 28.533 2.763 1.00 0.00 H new ATOM 0 HH TYR A 53 11.246 29.914 1.761 1.00 0.00 H new ATOM 887 N CYS A 54 14.993 22.194 -1.720 1.00 0.00 N ATOM 888 CA CYS A 54 15.921 21.330 -2.443 1.00 0.00 C ATOM 889 C CYS A 54 16.789 22.144 -3.397 1.00 0.00 C ATOM 890 O CYS A 54 18.013 22.022 -3.394 1.00 0.00 O ATOM 891 CB CYS A 54 15.154 20.259 -3.219 1.00 0.00 C ATOM 892 SG CYS A 54 13.717 20.887 -4.120 1.00 0.00 S ATOM 0 H CYS A 54 14.022 21.882 -1.741 1.00 0.00 H new ATOM 0 HA CYS A 54 16.570 20.844 -1.715 1.00 0.00 H new ATOM 0 HB2 CYS A 54 15.833 19.782 -3.926 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.824 19.487 -2.523 1.00 0.00 H new ATOM 0 HG CYS A 54 12.652 20.247 -3.738 1.00 0.00 H new ATOM 898 N GLY A 55 16.146 22.973 -4.214 1.00 0.00 N ATOM 899 CA GLY A 55 16.875 23.792 -5.163 1.00 0.00 C ATOM 900 C GLY A 55 18.192 24.295 -4.605 1.00 0.00 C ATOM 901 O GLY A 55 18.235 25.317 -3.922 1.00 0.00 O ATOM 0 H GLY A 55 15.133 23.091 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.065 23.213 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.258 24.643 -5.453 1.00 0.00 H new ATOM 905 N GLY A 56 19.270 23.572 -4.894 1.00 0.00 N ATOM 906 CA GLY A 56 20.579 23.965 -4.406 1.00 0.00 C ATOM 907 C GLY A 56 21.444 22.774 -4.042 1.00 0.00 C ATOM 908 O GLY A 56 22.654 22.909 -3.863 1.00 0.00 O ATOM 0 H GLY A 56 19.260 22.722 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 56 21.085 24.558 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 56 20.460 24.605 -3.531 1.00 0.00 H new ATOM 912 N ASP A 57 20.822 21.606 -3.931 1.00 0.00 N ATOM 913 CA ASP A 57 21.542 20.386 -3.585 1.00 0.00 C ATOM 914 C ASP A 57 21.297 19.297 -4.625 1.00 0.00 C ATOM 915 O ASP A 57 20.520 19.482 -5.562 1.00 0.00 O ATOM 916 CB ASP A 57 21.117 19.892 -2.201 1.00 0.00 C ATOM 917 CG ASP A 57 22.286 19.775 -1.244 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.047 20.757 -1.113 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.440 18.702 -0.624 1.00 0.00 O ATOM 0 H ASP A 57 19.820 21.478 -4.076 1.00 0.00 H new ATOM 0 HA ASP A 57 22.608 20.615 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.378 20.577 -1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.632 18.921 -2.298 1.00 0.00 H new ATOM 924 N LEU A 58 21.967 18.162 -4.454 1.00 0.00 N ATOM 925 CA LEU A 58 21.823 17.042 -5.378 1.00 0.00 C ATOM 926 C LEU A 58 20.352 16.739 -5.642 1.00 0.00 C ATOM 927 O LEU A 58 19.935 16.582 -6.790 1.00 0.00 O ATOM 928 CB LEU A 58 22.519 15.801 -4.818 1.00 0.00 C ATOM 929 CG LEU A 58 23.581 15.165 -5.716 1.00 0.00 C ATOM 930 CD1 LEU A 58 24.786 16.083 -5.850 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.000 13.808 -5.167 1.00 0.00 C ATOM 0 H LEU A 58 22.615 17.993 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 58 22.292 17.319 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.986 16.067 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 58 21.759 15.050 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 58 23.151 15.017 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.531 15.614 -6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.474 17.031 -6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.218 16.263 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 58 24.756 13.370 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.412 13.932 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 58 23.133 13.149 -5.124 1.00 0.00 H new ATOM 943 N LEU A 59 19.568 16.661 -4.572 1.00 0.00 N ATOM 944 CA LEU A 59 18.142 16.379 -4.687 1.00 0.00 C ATOM 945 C LEU A 59 17.436 17.462 -5.496 1.00 0.00 C ATOM 946 O LEU A 59 16.505 17.181 -6.250 1.00 0.00 O ATOM 947 CB LEU A 59 17.509 16.270 -3.298 1.00 0.00 C ATOM 948 CG LEU A 59 16.801 17.523 -2.784 1.00 0.00 C ATOM 949 CD1 LEU A 59 15.993 17.205 -1.535 1.00 0.00 C ATOM 950 CD2 LEU A 59 17.809 18.628 -2.502 1.00 0.00 C ATOM 0 H LEU A 59 19.896 16.789 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 59 18.026 15.428 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.790 15.450 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.288 15.999 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 59 16.116 17.872 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.496 18.109 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.245 16.447 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.658 16.831 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.287 19.512 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.519 18.289 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 59 18.344 18.875 -3.419 1.00 0.00 H new ATOM 962 N GLY A 60 17.888 18.702 -5.336 1.00 0.00 N ATOM 963 CA GLY A 60 17.290 19.809 -6.059 1.00 0.00 C ATOM 964 C GLY A 60 17.533 19.724 -7.553 1.00 0.00 C ATOM 965 O GLY A 60 16.589 19.621 -8.336 1.00 0.00 O ATOM 0 H GLY A 60 18.658 18.960 -4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.217 19.826 -5.869 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.695 20.747 -5.681 1.00 0.00 H new ATOM 969 N GLU A 61 18.801 19.769 -7.948 1.00 0.00 N ATOM 970 CA GLU A 61 19.164 19.699 -9.359 1.00 0.00 C ATOM 971 C GLU A 61 18.547 18.470 -10.019 1.00 0.00 C ATOM 972 O GLU A 61 18.020 18.546 -11.130 1.00 0.00 O ATOM 973 CB GLU A 61 20.686 19.666 -9.516 1.00 0.00 C ATOM 974 CG GLU A 61 21.388 18.821 -8.466 1.00 0.00 C ATOM 975 CD GLU A 61 22.231 17.717 -9.073 1.00 0.00 C ATOM 976 OE1 GLU A 61 23.357 18.011 -9.527 1.00 0.00 O ATOM 977 OE2 GLU A 61 21.764 16.559 -9.095 1.00 0.00 O ATOM 0 H GLU A 61 19.594 19.854 -7.312 1.00 0.00 H new ATOM 0 HA GLU A 61 18.774 20.589 -9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.933 19.280 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 61 21.070 20.685 -9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 61 22.022 19.462 -7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.644 18.381 -7.802 1.00 0.00 H new ATOM 984 N LEU A 62 18.616 17.337 -9.328 1.00 0.00 N ATOM 985 CA LEU A 62 18.065 16.090 -9.846 1.00 0.00 C ATOM 986 C LEU A 62 16.567 16.222 -10.105 1.00 0.00 C ATOM 987 O LEU A 62 16.093 15.965 -11.213 1.00 0.00 O ATOM 988 CB LEU A 62 18.324 14.947 -8.863 1.00 0.00 C ATOM 989 CG LEU A 62 17.339 13.779 -8.917 1.00 0.00 C ATOM 990 CD1 LEU A 62 16.960 13.466 -10.356 1.00 0.00 C ATOM 991 CD2 LEU A 62 17.931 12.551 -8.240 1.00 0.00 C ATOM 0 H LEU A 62 19.048 17.257 -8.408 1.00 0.00 H new ATOM 0 HA LEU A 62 18.561 15.868 -10.791 1.00 0.00 H new ATOM 0 HB2 LEU A 62 19.327 14.559 -9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.317 15.355 -7.852 1.00 0.00 H new ATOM 0 HG LEU A 62 16.435 14.066 -8.379 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.258 12.632 -10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.495 14.342 -10.808 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.855 13.200 -10.918 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.216 11.729 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.850 12.262 -8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.151 12.781 -7.197 1.00 0.00 H new ATOM 1003 N LEU A 63 15.828 16.628 -9.079 1.00 0.00 N ATOM 1004 CA LEU A 63 14.384 16.797 -9.196 1.00 0.00 C ATOM 1005 C LEU A 63 14.033 17.664 -10.401 1.00 0.00 C ATOM 1006 O LEU A 63 13.186 17.300 -11.215 1.00 0.00 O ATOM 1007 CB LEU A 63 13.820 17.425 -7.920 1.00 0.00 C ATOM 1008 CG LEU A 63 12.895 16.536 -7.087 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.878 16.995 -5.637 1.00 0.00 C ATOM 1010 CD2 LEU A 63 11.488 16.538 -7.666 1.00 0.00 C ATOM 0 H LEU A 63 16.205 16.846 -8.157 1.00 0.00 H new ATOM 0 HA LEU A 63 13.938 15.813 -9.338 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.655 17.736 -7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.274 18.328 -8.194 1.00 0.00 H new ATOM 0 HG LEU A 63 13.277 15.516 -7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.215 16.351 -5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.886 16.940 -5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.521 18.024 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.844 15.900 -7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.096 17.555 -7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.515 16.160 -8.688 1.00 0.00 H new ATOM 1022 N GLY A 64 14.693 18.814 -10.509 1.00 0.00 N ATOM 1023 CA GLY A 64 14.439 19.714 -11.618 1.00 0.00 C ATOM 1024 C GLY A 64 13.709 20.971 -11.189 1.00 0.00 C ATOM 1025 O GLY A 64 13.584 21.920 -11.964 1.00 0.00 O ATOM 0 H GLY A 64 15.399 19.138 -9.848 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.386 19.988 -12.083 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.850 19.196 -12.375 1.00 0.00 H new ATOM 1029 N ARG A 65 13.223 20.979 -9.952 1.00 0.00 N ATOM 1030 CA ARG A 65 12.499 22.128 -9.423 1.00 0.00 C ATOM 1031 C ARG A 65 13.425 23.026 -8.608 1.00 0.00 C ATOM 1032 O ARG A 65 14.635 23.047 -8.829 1.00 0.00 O ATOM 1033 CB ARG A 65 11.327 21.664 -8.555 1.00 0.00 C ATOM 1034 CG ARG A 65 10.560 20.491 -9.144 1.00 0.00 C ATOM 1035 CD ARG A 65 10.308 20.681 -10.632 1.00 0.00 C ATOM 1036 NE ARG A 65 9.810 19.462 -11.263 1.00 0.00 N ATOM 1037 CZ ARG A 65 8.542 19.070 -11.206 1.00 0.00 C ATOM 1038 NH1 ARG A 65 7.649 19.798 -10.551 1.00 0.00 N ATOM 1039 NH2 ARG A 65 8.166 17.948 -11.806 1.00 0.00 N ATOM 0 H ARG A 65 13.318 20.202 -9.298 1.00 0.00 H new ATOM 0 HA ARG A 65 12.113 22.702 -10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.703 21.384 -7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.642 22.499 -8.409 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.121 19.570 -8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.609 20.379 -8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.587 21.485 -10.778 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.233 20.990 -11.120 1.00 0.00 H new ATOM 0 HE ARG A 65 10.472 18.880 -11.776 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.935 20.661 -10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.676 19.495 -10.509 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.851 17.386 -12.311 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.192 17.648 -11.762 1.00 0.00 H new ATOM 1053 N GLN A 66 12.847 23.765 -7.667 1.00 0.00 N ATOM 1054 CA GLN A 66 13.620 24.665 -6.820 1.00 0.00 C ATOM 1055 C GLN A 66 13.299 24.438 -5.347 1.00 0.00 C ATOM 1056 O GLN A 66 14.185 24.484 -4.494 1.00 0.00 O ATOM 1057 CB GLN A 66 13.339 26.121 -7.197 1.00 0.00 C ATOM 1058 CG GLN A 66 11.861 26.430 -7.373 1.00 0.00 C ATOM 1059 CD GLN A 66 11.286 25.826 -8.639 1.00 0.00 C ATOM 1060 OE1 GLN A 66 10.497 24.881 -8.587 1.00 0.00 O ATOM 1061 NE2 GLN A 66 11.677 26.369 -9.785 1.00 0.00 N ATOM 0 H GLN A 66 11.846 23.758 -7.472 1.00 0.00 H new ATOM 0 HA GLN A 66 14.677 24.453 -6.979 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.748 26.773 -6.425 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.863 26.355 -8.123 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.310 26.053 -6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.719 27.511 -7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.332 27.151 -9.782 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.322 26.005 -10.669 1.00 0.00 H new ATOM 1070 N SER A 67 12.026 24.194 -5.055 1.00 0.00 N ATOM 1071 CA SER A 67 11.586 23.963 -3.684 1.00 0.00 C ATOM 1072 C SER A 67 10.273 23.188 -3.657 1.00 0.00 C ATOM 1073 O SER A 67 9.360 23.463 -4.435 1.00 0.00 O ATOM 1074 CB SER A 67 11.420 25.295 -2.949 1.00 0.00 C ATOM 1075 OG SER A 67 10.271 25.988 -3.402 1.00 0.00 O ATOM 0 H SER A 67 11.280 24.151 -5.750 1.00 0.00 H new ATOM 0 HA SER A 67 12.348 23.369 -3.179 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.341 25.115 -1.877 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.305 25.912 -3.104 1.00 0.00 H new ATOM 0 HG SER A 67 10.187 26.835 -2.916 1.00 0.00 H new ATOM 1081 N PHE A 68 10.186 22.215 -2.755 1.00 0.00 N ATOM 1082 CA PHE A 68 8.985 21.398 -2.626 1.00 0.00 C ATOM 1083 C PHE A 68 8.549 21.298 -1.167 1.00 0.00 C ATOM 1084 O PHE A 68 9.382 21.250 -0.261 1.00 0.00 O ATOM 1085 CB PHE A 68 9.232 19.998 -3.194 1.00 0.00 C ATOM 1086 CG PHE A 68 10.412 19.302 -2.579 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.383 18.900 -1.253 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.551 19.050 -3.327 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.468 18.259 -0.684 1.00 0.00 C ATOM 1090 CE2 PHE A 68 12.638 18.408 -2.764 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.597 18.014 -1.441 1.00 0.00 C ATOM 0 H PHE A 68 10.933 21.974 -2.103 1.00 0.00 H new ATOM 0 HA PHE A 68 8.187 21.877 -3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.341 19.390 -3.040 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.385 20.073 -4.271 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.502 19.090 -0.657 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.590 19.359 -4.361 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.433 17.950 0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.519 18.215 -3.358 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.447 17.515 -0.999 1.00 0.00 H new ATOM 1101 N SER A 69 7.239 21.267 -0.948 1.00 0.00 N ATOM 1102 CA SER A 69 6.691 21.177 0.400 1.00 0.00 C ATOM 1103 C SER A 69 6.662 19.729 0.879 1.00 0.00 C ATOM 1104 O SER A 69 6.286 18.824 0.134 1.00 0.00 O ATOM 1105 CB SER A 69 5.280 21.768 0.441 1.00 0.00 C ATOM 1106 OG SER A 69 5.296 23.147 0.112 1.00 0.00 O ATOM 0 H SER A 69 6.537 21.303 -1.687 1.00 0.00 H new ATOM 0 HA SER A 69 7.336 21.749 1.067 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.637 21.232 -0.257 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.854 21.633 1.435 1.00 0.00 H new ATOM 0 HG SER A 69 4.383 23.501 0.143 1.00 0.00 H new ATOM 1112 N VAL A 70 7.061 19.517 2.129 1.00 0.00 N ATOM 1113 CA VAL A 70 7.080 18.180 2.710 1.00 0.00 C ATOM 1114 C VAL A 70 5.668 17.694 3.018 1.00 0.00 C ATOM 1115 O VAL A 70 5.379 16.500 2.940 1.00 0.00 O ATOM 1116 CB VAL A 70 7.917 18.141 4.002 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.928 19.278 4.018 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.013 18.203 5.224 1.00 0.00 C ATOM 0 H VAL A 70 7.376 20.255 2.759 1.00 0.00 H new ATOM 0 HA VAL A 70 7.535 17.521 1.971 1.00 0.00 H new ATOM 0 HB VAL A 70 8.465 17.199 4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.510 19.234 4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.596 19.183 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.403 20.232 3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.621 18.174 6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.436 19.128 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.333 17.351 5.217 1.00 0.00 H new ATOM 1128 N LYS A 71 4.790 18.629 3.367 1.00 0.00 N ATOM 1129 CA LYS A 71 3.406 18.298 3.685 1.00 0.00 C ATOM 1130 C LYS A 71 2.653 17.848 2.437 1.00 0.00 C ATOM 1131 O LYS A 71 1.620 17.185 2.529 1.00 0.00 O ATOM 1132 CB LYS A 71 2.702 19.504 4.312 1.00 0.00 C ATOM 1133 CG LYS A 71 2.019 19.192 5.632 1.00 0.00 C ATOM 1134 CD LYS A 71 2.649 19.961 6.781 1.00 0.00 C ATOM 1135 CE LYS A 71 2.148 21.396 6.833 1.00 0.00 C ATOM 1136 NZ LYS A 71 1.126 21.588 7.899 1.00 0.00 N ATOM 0 H LYS A 71 5.013 19.622 3.437 1.00 0.00 H new ATOM 0 HA LYS A 71 3.411 17.476 4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.432 20.299 4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.960 19.886 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.960 19.442 5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.082 18.122 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.422 19.461 7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.733 19.957 6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.988 22.068 7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.721 21.667 5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.507 22.385 7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.556 20.723 7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.600 21.791 8.802 1.00 0.00 H new ATOM 1150 N ASP A 72 3.178 18.212 1.272 1.00 0.00 N ATOM 1151 CA ASP A 72 2.556 17.844 0.006 1.00 0.00 C ATOM 1152 C ASP A 72 3.469 16.925 -0.800 1.00 0.00 C ATOM 1153 O ASP A 72 4.288 17.372 -1.603 1.00 0.00 O ATOM 1154 CB ASP A 72 2.226 19.097 -0.808 1.00 0.00 C ATOM 1155 CG ASP A 72 1.486 18.775 -2.092 1.00 0.00 C ATOM 1156 OD1 ASP A 72 0.577 17.921 -2.053 1.00 0.00 O ATOM 1157 OD2 ASP A 72 1.817 19.377 -3.135 1.00 0.00 O ATOM 0 H ASP A 72 4.032 18.761 1.178 1.00 0.00 H new ATOM 0 HA ASP A 72 1.632 17.309 0.225 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.620 19.771 -0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.149 19.625 -1.047 1.00 0.00 H new ATOM 1162 N PRO A 73 3.326 15.609 -0.582 1.00 0.00 N ATOM 1163 CA PRO A 73 4.129 14.600 -1.278 1.00 0.00 C ATOM 1164 C PRO A 73 3.771 14.493 -2.756 1.00 0.00 C ATOM 1165 O PRO A 73 3.341 13.439 -3.226 1.00 0.00 O ATOM 1166 CB PRO A 73 3.777 13.301 -0.547 1.00 0.00 C ATOM 1167 CG PRO A 73 2.421 13.542 0.022 1.00 0.00 C ATOM 1168 CD PRO A 73 2.369 15.006 0.361 1.00 0.00 C ATOM 0 HA PRO A 73 5.192 14.841 -1.260 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.775 12.451 -1.229 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.501 13.079 0.237 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.644 13.280 -0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.255 12.930 0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.366 15.413 0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.656 15.189 1.397 1.00 0.00 H new ATOM 1176 N SER A 74 3.953 15.589 -3.485 1.00 0.00 N ATOM 1177 CA SER A 74 3.646 15.619 -4.911 1.00 0.00 C ATOM 1178 C SER A 74 4.904 15.392 -5.742 1.00 0.00 C ATOM 1179 O SER A 74 5.075 14.357 -6.386 1.00 0.00 O ATOM 1180 CB SER A 74 3.006 16.956 -5.288 1.00 0.00 C ATOM 1181 OG SER A 74 1.597 16.839 -5.384 1.00 0.00 O ATOM 0 H SER A 74 4.311 16.468 -3.112 1.00 0.00 H new ATOM 0 HA SER A 74 2.942 14.815 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.261 17.708 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.411 17.301 -6.239 1.00 0.00 H new ATOM 0 HG SER A 74 1.212 17.708 -5.624 1.00 0.00 H new ATOM 1187 N PRO A 75 5.808 16.383 -5.729 1.00 0.00 N ATOM 1188 CA PRO A 75 7.068 16.316 -6.476 1.00 0.00 C ATOM 1189 C PRO A 75 8.035 15.293 -5.889 1.00 0.00 C ATOM 1190 O PRO A 75 8.877 14.741 -6.600 1.00 0.00 O ATOM 1191 CB PRO A 75 7.637 17.730 -6.339 1.00 0.00 C ATOM 1192 CG PRO A 75 7.040 18.259 -5.081 1.00 0.00 C ATOM 1193 CD PRO A 75 5.670 17.645 -4.983 1.00 0.00 C ATOM 0 HA PRO A 75 6.914 16.002 -7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.726 17.715 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.369 18.349 -7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.650 17.993 -4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.979 19.347 -5.105 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.381 17.470 -3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.908 18.290 -5.421 1.00 0.00 H new ATOM 1201 N LEU A 76 7.911 15.044 -4.591 1.00 0.00 N ATOM 1202 CA LEU A 76 8.774 14.087 -3.909 1.00 0.00 C ATOM 1203 C LEU A 76 8.661 12.704 -4.542 1.00 0.00 C ATOM 1204 O LEU A 76 9.652 12.140 -5.008 1.00 0.00 O ATOM 1205 CB LEU A 76 8.413 14.011 -2.424 1.00 0.00 C ATOM 1206 CG LEU A 76 9.196 12.994 -1.594 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.349 13.670 -0.869 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.277 12.294 -0.602 1.00 0.00 C ATOM 0 H LEU A 76 7.220 15.492 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 76 9.804 14.430 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.559 14.998 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.351 13.778 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 76 9.608 12.244 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.895 12.930 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 76 11.021 14.123 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.959 14.442 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.851 11.574 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.835 13.032 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.486 11.775 -1.143 1.00 0.00 H new ATOM 1220 N TYR A 77 7.448 12.164 -4.558 1.00 0.00 N ATOM 1221 CA TYR A 77 7.205 10.847 -5.135 1.00 0.00 C ATOM 1222 C TYR A 77 7.565 10.826 -6.617 1.00 0.00 C ATOM 1223 O TYR A 77 8.081 9.832 -7.128 1.00 0.00 O ATOM 1224 CB TYR A 77 5.740 10.448 -4.949 1.00 0.00 C ATOM 1225 CG TYR A 77 5.440 9.861 -3.588 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.857 8.577 -3.257 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.739 10.588 -2.634 1.00 0.00 C ATOM 1228 CE1 TYR A 77 5.585 8.036 -2.015 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.464 10.056 -1.390 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.888 8.779 -1.085 1.00 0.00 C ATOM 1231 OH TYR A 77 4.615 8.245 0.153 1.00 0.00 O ATOM 0 H TYR A 77 6.617 12.618 -4.178 1.00 0.00 H new ATOM 0 HA TYR A 77 7.839 10.129 -4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 77 5.111 11.325 -5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.470 9.722 -5.716 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.403 7.992 -3.983 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.403 11.587 -2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.916 7.037 -1.774 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.920 10.636 -0.660 1.00 0.00 H new ATOM 0 HH TYR A 77 4.118 8.898 0.689 1.00 0.00 H new ATOM 1241 N ASP A 78 7.290 11.931 -7.301 1.00 0.00 N ATOM 1242 CA ASP A 78 7.586 12.042 -8.725 1.00 0.00 C ATOM 1243 C ASP A 78 9.073 11.823 -8.989 1.00 0.00 C ATOM 1244 O ASP A 78 9.452 11.209 -9.986 1.00 0.00 O ATOM 1245 CB ASP A 78 7.158 13.413 -9.251 1.00 0.00 C ATOM 1246 CG ASP A 78 6.492 13.329 -10.610 1.00 0.00 C ATOM 1247 OD1 ASP A 78 6.887 12.458 -11.413 1.00 0.00 O ATOM 1248 OD2 ASP A 78 5.573 14.134 -10.870 1.00 0.00 O ATOM 0 H ASP A 78 6.863 12.762 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 78 7.024 11.269 -9.250 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.471 13.873 -8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 78 8.031 14.062 -9.317 1.00 0.00 H new ATOM 1253 N MET A 79 9.910 12.331 -8.090 1.00 0.00 N ATOM 1254 CA MET A 79 11.355 12.190 -8.227 1.00 0.00 C ATOM 1255 C MET A 79 11.798 10.771 -7.887 1.00 0.00 C ATOM 1256 O MET A 79 12.482 10.117 -8.676 1.00 0.00 O ATOM 1257 CB MET A 79 12.074 13.192 -7.321 1.00 0.00 C ATOM 1258 CG MET A 79 13.571 12.950 -7.216 1.00 0.00 C ATOM 1259 SD MET A 79 14.126 12.766 -5.510 1.00 0.00 S ATOM 1260 CE MET A 79 13.272 14.132 -4.727 1.00 0.00 C ATOM 0 H MET A 79 9.613 12.843 -7.260 1.00 0.00 H new ATOM 0 HA MET A 79 11.618 12.394 -9.265 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.903 14.200 -7.699 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.636 13.147 -6.324 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.830 12.052 -7.777 1.00 0.00 H new ATOM 0 HG3 MET A 79 14.103 13.781 -7.680 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.996 14.889 -4.426 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.562 14.568 -5.430 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.738 13.771 -3.848 1.00 0.00 H new ATOM 1270 N LEU A 80 11.404 10.299 -6.709 1.00 0.00 N ATOM 1271 CA LEU A 80 11.761 8.956 -6.265 1.00 0.00 C ATOM 1272 C LEU A 80 11.358 7.914 -7.303 1.00 0.00 C ATOM 1273 O LEU A 80 12.020 6.887 -7.455 1.00 0.00 O ATOM 1274 CB LEU A 80 11.089 8.645 -4.926 1.00 0.00 C ATOM 1275 CG LEU A 80 11.662 9.365 -3.704 1.00 0.00 C ATOM 1276 CD1 LEU A 80 12.305 10.681 -4.113 1.00 0.00 C ATOM 1277 CD2 LEU A 80 10.575 9.600 -2.666 1.00 0.00 C ATOM 0 H LEU A 80 10.838 10.826 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 80 12.843 8.917 -6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.031 8.894 -5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 80 11.151 7.571 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 80 12.430 8.732 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.707 11.179 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.112 10.488 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.558 11.321 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.000 10.113 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.784 10.213 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.160 8.643 -2.350 1.00 0.00 H new ATOM 1289 N ARG A 81 10.271 8.187 -8.016 1.00 0.00 N ATOM 1290 CA ARG A 81 9.780 7.273 -9.041 1.00 0.00 C ATOM 1291 C ARG A 81 10.939 6.579 -9.750 1.00 0.00 C ATOM 1292 O ARG A 81 11.007 5.350 -9.796 1.00 0.00 O ATOM 1293 CB ARG A 81 8.924 8.028 -10.060 1.00 0.00 C ATOM 1294 CG ARG A 81 7.800 7.191 -10.650 1.00 0.00 C ATOM 1295 CD ARG A 81 7.604 7.486 -12.129 1.00 0.00 C ATOM 1296 NE ARG A 81 7.358 6.270 -12.901 1.00 0.00 N ATOM 1297 CZ ARG A 81 7.420 6.217 -14.226 1.00 0.00 C ATOM 1298 NH1 ARG A 81 7.718 7.304 -14.924 1.00 0.00 N ATOM 1299 NH2 ARG A 81 7.184 5.074 -14.857 1.00 0.00 N ATOM 0 H ARG A 81 9.713 9.033 -7.903 1.00 0.00 H new ATOM 0 HA ARG A 81 9.168 6.514 -8.553 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.497 8.909 -9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.564 8.383 -10.868 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.024 6.133 -10.515 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.874 7.392 -10.112 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.765 8.171 -12.254 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.488 7.990 -12.519 1.00 0.00 H new ATOM 0 HE ARG A 81 7.126 5.416 -12.394 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.901 8.185 -14.443 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.765 7.260 -15.942 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.955 4.235 -14.324 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.232 5.034 -15.875 1.00 0.00 H new ATOM 1313 N LYS A 82 11.850 7.373 -10.303 1.00 0.00 N ATOM 1314 CA LYS A 82 13.007 6.837 -11.009 1.00 0.00 C ATOM 1315 C LYS A 82 14.280 7.027 -10.191 1.00 0.00 C ATOM 1316 O LYS A 82 15.361 6.604 -10.599 1.00 0.00 O ATOM 1317 CB LYS A 82 13.158 7.516 -12.372 1.00 0.00 C ATOM 1318 CG LYS A 82 14.153 8.663 -12.373 1.00 0.00 C ATOM 1319 CD LYS A 82 13.702 9.793 -11.464 1.00 0.00 C ATOM 1320 CE LYS A 82 12.380 10.387 -11.926 1.00 0.00 C ATOM 1321 NZ LYS A 82 12.207 11.789 -11.453 1.00 0.00 N ATOM 0 H LYS A 82 11.809 8.392 -10.275 1.00 0.00 H new ATOM 0 HA LYS A 82 12.848 5.769 -11.157 1.00 0.00 H new ATOM 0 HB2 LYS A 82 13.472 6.773 -13.106 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.185 7.890 -12.692 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.128 8.300 -12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.275 9.039 -13.389 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.599 9.422 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.465 10.572 -11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.331 10.362 -13.015 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.558 9.775 -11.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.244 11.913 -11.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.897 11.989 -10.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.359 12.444 -12.246 1.00 0.00 H new ATOM 1335 N ASN A 83 14.144 7.665 -9.033 1.00 0.00 N ATOM 1336 CA ASN A 83 15.284 7.910 -8.157 1.00 0.00 C ATOM 1337 C ASN A 83 15.417 6.804 -7.115 1.00 0.00 C ATOM 1338 O ASN A 83 16.473 6.182 -6.985 1.00 0.00 O ATOM 1339 CB ASN A 83 15.137 9.265 -7.461 1.00 0.00 C ATOM 1340 CG ASN A 83 15.619 9.233 -6.024 1.00 0.00 C ATOM 1341 OD1 ASN A 83 14.987 8.627 -5.159 1.00 0.00 O ATOM 1342 ND2 ASN A 83 16.745 9.887 -5.763 1.00 0.00 N ATOM 0 H ASN A 83 13.256 8.022 -8.680 1.00 0.00 H new ATOM 0 HA ASN A 83 16.185 7.919 -8.770 1.00 0.00 H new ATOM 0 HB2 ASN A 83 15.700 10.017 -8.013 1.00 0.00 H new ATOM 0 HB3 ASN A 83 14.091 9.570 -7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 83 17.119 9.900 -4.814 1.00 0.00 H new ATOM 0 HD22 ASN A 83 17.236 10.376 -6.512 1.00 0.00 H new ATOM 1349 N LEU A 84 14.341 6.562 -6.376 1.00 0.00 N ATOM 1350 CA LEU A 84 14.336 5.529 -5.345 1.00 0.00 C ATOM 1351 C LEU A 84 13.964 4.173 -5.936 1.00 0.00 C ATOM 1352 O LEU A 84 12.786 3.851 -6.086 1.00 0.00 O ATOM 1353 CB LEU A 84 13.356 5.898 -4.230 1.00 0.00 C ATOM 1354 CG LEU A 84 13.928 5.909 -2.812 1.00 0.00 C ATOM 1355 CD1 LEU A 84 15.325 6.509 -2.804 1.00 0.00 C ATOM 1356 CD2 LEU A 84 13.010 6.679 -1.873 1.00 0.00 C ATOM 0 H LEU A 84 13.460 7.067 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 84 15.341 5.461 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.948 6.886 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.522 5.196 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 84 13.995 4.880 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 84 15.715 6.508 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.979 5.917 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.283 7.533 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.432 6.677 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.911 7.707 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 84 12.028 6.206 -1.855 1.00 0.00 H new ATOM 1368 N VAL A 85 14.978 3.379 -6.267 1.00 0.00 N ATOM 1369 CA VAL A 85 14.759 2.056 -6.838 1.00 0.00 C ATOM 1370 C VAL A 85 13.636 1.324 -6.111 1.00 0.00 C ATOM 1371 O VAL A 85 13.575 1.320 -4.881 1.00 0.00 O ATOM 1372 CB VAL A 85 16.038 1.200 -6.778 1.00 0.00 C ATOM 1373 CG1 VAL A 85 15.688 -0.277 -6.671 1.00 0.00 C ATOM 1374 CG2 VAL A 85 16.911 1.462 -7.995 1.00 0.00 C ATOM 0 H VAL A 85 15.960 3.630 -6.149 1.00 0.00 H new ATOM 0 HA VAL A 85 14.478 2.203 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 85 16.601 1.481 -5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.604 -0.866 -6.630 1.00 0.00 H new ATOM 0 HG12 VAL A 85 15.106 -0.448 -5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 85 15.103 -0.576 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.810 0.849 -7.936 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.358 1.210 -8.900 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.191 2.515 -8.022 1.00 0.00 H new ATOM 1499 N PHE B 119 10.426 19.277 11.630 1.00 0.00 N ATOM 1500 CA PHE B 119 10.483 18.339 10.515 1.00 0.00 C ATOM 1501 C PHE B 119 9.777 17.033 10.866 1.00 0.00 C ATOM 1502 O PHE B 119 8.825 16.630 10.197 1.00 0.00 O ATOM 1503 CB PHE B 119 11.937 18.058 10.130 1.00 0.00 C ATOM 1504 CG PHE B 119 12.139 17.858 8.655 1.00 0.00 C ATOM 1505 CD1 PHE B 119 11.064 17.586 7.826 1.00 0.00 C ATOM 1506 CD2 PHE B 119 13.406 17.941 8.099 1.00 0.00 C ATOM 1507 CE1 PHE B 119 11.246 17.402 6.468 1.00 0.00 C ATOM 1508 CE2 PHE B 119 13.594 17.758 6.742 1.00 0.00 C ATOM 1509 CZ PHE B 119 12.513 17.487 5.926 1.00 0.00 C ATOM 0 HA PHE B 119 9.971 18.792 9.666 1.00 0.00 H new ATOM 0 HB2 PHE B 119 12.560 18.888 10.465 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.279 17.169 10.659 1.00 0.00 H new ATOM 0 HD1 PHE B 119 10.071 17.517 8.245 1.00 0.00 H new ATOM 0 HD2 PHE B 119 14.255 18.151 8.733 1.00 0.00 H new ATOM 0 HE1 PHE B 119 10.399 17.192 5.832 1.00 0.00 H new ATOM 0 HE2 PHE B 119 14.586 17.827 6.320 1.00 0.00 H new ATOM 0 HZ PHE B 119 12.659 17.342 4.866 1.00 0.00 H new ATOM 1519 N SER B 120 10.250 16.376 11.920 1.00 0.00 N ATOM 1520 CA SER B 120 9.667 15.113 12.359 1.00 0.00 C ATOM 1521 C SER B 120 8.167 15.259 12.591 1.00 0.00 C ATOM 1522 O SER B 120 7.428 14.274 12.591 1.00 0.00 O ATOM 1523 CB SER B 120 10.349 14.630 13.640 1.00 0.00 C ATOM 1524 OG SER B 120 10.738 13.272 13.531 1.00 0.00 O ATOM 0 H SER B 120 11.035 16.697 12.486 1.00 0.00 H new ATOM 0 HA SER B 120 9.825 14.375 11.572 1.00 0.00 H new ATOM 0 HB2 SER B 120 11.224 15.247 13.844 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.670 14.750 14.484 1.00 0.00 H new ATOM 0 HG SER B 120 11.173 12.989 14.362 1.00 0.00 H new ATOM 1530 N ASP B 121 7.723 16.495 12.790 1.00 0.00 N ATOM 1531 CA ASP B 121 6.310 16.772 13.023 1.00 0.00 C ATOM 1532 C ASP B 121 5.500 16.579 11.745 1.00 0.00 C ATOM 1533 O ASP B 121 4.608 15.732 11.685 1.00 0.00 O ATOM 1534 CB ASP B 121 6.128 18.198 13.547 1.00 0.00 C ATOM 1535 CG ASP B 121 5.076 18.284 14.636 1.00 0.00 C ATOM 1536 OD1 ASP B 121 5.130 17.466 15.578 1.00 0.00 O ATOM 1537 OD2 ASP B 121 4.199 19.169 14.546 1.00 0.00 O ATOM 0 H ASP B 121 8.321 17.321 12.795 1.00 0.00 H new ATOM 0 HA ASP B 121 5.946 16.069 13.772 1.00 0.00 H new ATOM 0 HB2 ASP B 121 7.079 18.564 13.934 1.00 0.00 H new ATOM 0 HB3 ASP B 121 5.847 18.852 12.722 1.00 0.00 H new ATOM 1542 N LEU B 122 5.816 17.370 10.726 1.00 0.00 N ATOM 1543 CA LEU B 122 5.117 17.287 9.448 1.00 0.00 C ATOM 1544 C LEU B 122 5.642 16.123 8.614 1.00 0.00 C ATOM 1545 O LEU B 122 4.867 15.347 8.055 1.00 0.00 O ATOM 1546 CB LEU B 122 5.274 18.596 8.672 1.00 0.00 C ATOM 1547 CG LEU B 122 5.205 19.880 9.501 1.00 0.00 C ATOM 1548 CD1 LEU B 122 6.116 20.945 8.911 1.00 0.00 C ATOM 1549 CD2 LEU B 122 3.773 20.386 9.583 1.00 0.00 C ATOM 0 H LEU B 122 6.551 18.076 10.759 1.00 0.00 H new ATOM 0 HA LEU B 122 4.060 17.116 9.651 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.232 18.574 8.152 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.497 18.638 7.908 1.00 0.00 H new ATOM 0 HG LEU B 122 5.548 19.656 10.511 1.00 0.00 H new ATOM 0 HD11 LEU B 122 6.054 21.851 9.513 1.00 0.00 H new ATOM 0 HD12 LEU B 122 7.144 20.582 8.906 1.00 0.00 H new ATOM 0 HD13 LEU B 122 5.804 21.166 7.890 1.00 0.00 H new ATOM 0 HD21 LEU B 122 3.743 21.300 10.176 1.00 0.00 H new ATOM 0 HD22 LEU B 122 3.402 20.593 8.579 1.00 0.00 H new ATOM 0 HD23 LEU B 122 3.146 19.628 10.052 1.00 0.00 H new ATOM 1561 N TRP B 123 6.963 16.006 8.537 1.00 0.00 N ATOM 1562 CA TRP B 123 7.592 14.935 7.773 1.00 0.00 C ATOM 1563 C TRP B 123 6.768 13.654 7.852 1.00 0.00 C ATOM 1564 O TRP B 123 6.334 13.120 6.831 1.00 0.00 O ATOM 1565 CB TRP B 123 9.009 14.676 8.290 1.00 0.00 C ATOM 1566 CG TRP B 123 9.833 13.833 7.365 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.486 12.674 7.675 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.094 14.084 5.980 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.137 12.190 6.566 1.00 0.00 N ATOM 1570 CE2 TRP B 123 10.912 13.036 5.513 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.716 15.091 5.088 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.357 12.970 4.195 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.158 15.024 3.780 1.00 0.00 C ATOM 1574 CH2 TRP B 123 10.971 13.969 3.344 1.00 0.00 C ATOM 0 H TRP B 123 7.619 16.639 8.994 1.00 0.00 H new ATOM 0 HA TRP B 123 7.644 15.248 6.730 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.512 15.631 8.445 1.00 0.00 H new ATOM 0 HB3 TRP B 123 8.950 14.185 9.262 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.490 12.207 8.649 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.697 11.338 6.533 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.089 15.908 5.415 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 11.985 12.159 3.857 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 9.872 15.797 3.083 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.299 13.944 2.315 1.00 0.00 H new ATOM 1585 N LYS B 124 6.555 13.166 9.069 1.00 0.00 N ATOM 1586 CA LYS B 124 5.782 11.948 9.281 1.00 0.00 C ATOM 1587 C LYS B 124 4.502 11.965 8.451 1.00 0.00 C ATOM 1588 O LYS B 124 4.130 10.960 7.844 1.00 0.00 O ATOM 1589 CB LYS B 124 5.438 11.790 10.764 1.00 0.00 C ATOM 1590 CG LYS B 124 5.752 10.411 11.317 1.00 0.00 C ATOM 1591 CD LYS B 124 4.810 10.036 12.449 1.00 0.00 C ATOM 1592 CE LYS B 124 3.498 9.478 11.920 1.00 0.00 C ATOM 1593 NZ LYS B 124 3.097 8.233 12.633 1.00 0.00 N ATOM 0 H LYS B 124 6.907 13.596 9.924 1.00 0.00 H new ATOM 0 HA LYS B 124 6.390 11.101 8.963 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.988 12.536 11.337 1.00 0.00 H new ATOM 0 HB3 LYS B 124 4.377 11.997 10.906 1.00 0.00 H new ATOM 0 HG2 LYS B 124 5.676 9.672 10.519 1.00 0.00 H new ATOM 0 HG3 LYS B 124 6.781 10.388 11.676 1.00 0.00 H new ATOM 0 HD2 LYS B 124 5.288 9.297 13.092 1.00 0.00 H new ATOM 0 HD3 LYS B 124 4.612 10.913 13.065 1.00 0.00 H new ATOM 0 HE2 LYS B 124 2.714 10.228 12.029 1.00 0.00 H new ATOM 0 HE3 LYS B 124 3.595 9.271 10.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 2.198 7.884 12.243 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 3.833 7.509 12.508 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 2.980 8.436 13.646 1.00 0.00 H new ATOM 1607 N LEU B 125 3.834 13.113 8.426 1.00 0.00 N ATOM 1608 CA LEU B 125 2.596 13.261 7.668 1.00 0.00 C ATOM 1609 C LEU B 125 2.658 12.471 6.365 1.00 0.00 C ATOM 1610 O LEU B 125 1.721 11.748 6.019 1.00 0.00 O ATOM 1611 CB LEU B 125 2.331 14.738 7.370 1.00 0.00 C ATOM 1612 CG LEU B 125 2.191 15.653 8.587 1.00 0.00 C ATOM 1613 CD1 LEU B 125 2.211 17.113 8.161 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.914 15.335 9.349 1.00 0.00 C ATOM 0 H LEU B 125 4.128 13.955 8.921 1.00 0.00 H new ATOM 0 HA LEU B 125 1.779 12.866 8.272 1.00 0.00 H new ATOM 0 HB2 LEU B 125 3.144 15.114 6.749 1.00 0.00 H new ATOM 0 HB3 LEU B 125 1.418 14.811 6.779 1.00 0.00 H new ATOM 0 HG LEU B 125 3.038 15.477 9.250 1.00 0.00 H new ATOM 0 HD11 LEU B 125 2.110 17.750 9.040 1.00 0.00 H new ATOM 0 HD12 LEU B 125 3.154 17.333 7.660 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.383 17.304 7.478 1.00 0.00 H new ATOM 0 HD21 LEU B 125 0.831 15.996 10.212 1.00 0.00 H new ATOM 0 HD22 LEU B 125 0.054 15.482 8.695 1.00 0.00 H new ATOM 0 HD23 LEU B 125 0.940 14.299 9.687 1.00 0.00 H new ATOM 1626 N LEU B 126 3.766 12.611 5.646 1.00 0.00 N ATOM 1627 CA LEU B 126 3.951 11.908 4.381 1.00 0.00 C ATOM 1628 C LEU B 126 3.358 10.504 4.446 1.00 0.00 C ATOM 1629 O LEU B 126 3.518 9.781 5.430 1.00 0.00 O ATOM 1630 CB LEU B 126 5.439 11.829 4.032 1.00 0.00 C ATOM 1631 CG LEU B 126 5.872 12.578 2.771 1.00 0.00 C ATOM 1632 CD1 LEU B 126 5.064 13.855 2.604 1.00 0.00 C ATOM 1633 CD2 LEU B 126 7.361 12.890 2.822 1.00 0.00 C ATOM 0 H LEU B 126 4.550 13.205 5.917 1.00 0.00 H new ATOM 0 HA LEU B 126 3.430 12.467 3.604 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.011 12.216 4.875 1.00 0.00 H new ATOM 0 HB3 LEU B 126 5.710 10.779 3.918 1.00 0.00 H new ATOM 0 HG LEU B 126 5.683 11.938 1.909 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.386 14.374 1.701 1.00 0.00 H new ATOM 0 HD12 LEU B 126 4.006 13.608 2.522 1.00 0.00 H new ATOM 0 HD13 LEU B 126 5.220 14.500 3.469 1.00 0.00 H new ATOM 0 HD21 LEU B 126 7.652 13.423 1.917 1.00 0.00 H new ATOM 0 HD22 LEU B 126 7.573 13.510 3.693 1.00 0.00 H new ATOM 0 HD23 LEU B 126 7.925 11.960 2.893 1.00 0.00 H new